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Subject: Chemistry
,
Working Paper
, Title:

Coherent Cancellation in Oscillatory Structural Forces Enables Surface Recognition in Colloidal Assembly

, Authors: Yao Lu, Meng Deng, Siyu Wan, Angang Dong, Chuncheng Li, Zhaochuan Fan
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-9x9wp
 
Subject: Chemistry
,
Review
, Title:

Smart Water, Smart Models: Algorithmic Assessment of Water Quality under Evolving Chemical and Industrial Stressors

, Authors: Samuel Amankwaa, Jaan Prokofiev, Juri Belikov, Varsha Srivastava, Angela Ivask, Alexandra Nefedova, Bo Zhou, Mengxi Liu, Svetlana Polivtseva
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-m6k1m
 
Subject: Chemistry
,
Working Paper
, Title:

HARMONIA: A Unified Entropy-Driven Framework for Adsorption and Transport—From Molecular Stochastics to Macroscopic Kinetics

, Authors: Pavel Dytrych, Martina Dlaskova
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-c860f
 
Subject: Chemistry
,
Working Paper
, Title:

Differentiation-Based Coats–Redfern Framework for Conversion-Resolved Kinetics: Application to Catalytic and Non-Catalytic Polyethylene Thermogravimetry

, Authors: Young Ho Jeong, Dipali Upare Pravin, Youngseok Son, Don Keun Lee, Chul Wee Lee, Young Soo Kang
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-2wfh3
 
Subject: Chemistry
,
Working Paper
, Title:

Encoding Polymorphism by Incorporating Lattice Dynamics to Design Molecular Materials

, Authors: Alejandro Alvarez, Johanna Koelbel, William Stoll, Navkiran Juneja, Hashini Sithari, Lisbeth Crompton, Jian Zhang, Jason Holt, William Brennessel, Ljupcho Pejov, Luca Catalano, Michael Ruggiero
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-w4pbx
 
Subject: Chemistry
,
Working Paper
, Title:

Alkene Hydrogenation by a Cationic, Nine-Coordinate Molybdenum(VI) Pentahydride Catalyst

, Authors: Arno Estival, Michel Sigrist, Nicolas Queyriaux, Jorge Cabrera-Trujillo, Nina Durvin, Marie-Christine Boegli, Laure Vendier, Mary Grellier, Karinne Miqueu, Antoine Simonneau
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-80sgv
 
Subject: Chemistry
,
Working Paper
, Title:

Photosensitizer-free infrared-light-induced radical reactions

, Authors: Antônio Junio Araujo Dias, Ken Tanaka, Masanobu Uchiyama, Yuki Nagashima
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-6xnhk
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamics of the Electrolyte-to-Metal Transition in Aqueous Solutions of Alkali Metals

, Authors: Marco Vitek, Philip E. Mason, Matej Cervenka, Christopher D. Gale, Igor Rončević, Ondrej Marsalek, H. Christian Schewe, Pavel Jungwirth
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-cv68w
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Binding of Sulphated Glycosaminoglycan Induces SelfAssembly of Naphthalene Diimide into Fluorescent Nanofibers

, Authors: Poonam Sharma, Esteban Fernández-Pedrera López, Beatriz Cantero Nieto, Annalisa Calo, Subhadip Ghosh, Paula Rodríguez, Xavier Companyó, Bart Limburg, Mohit Kumar
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-kthw3
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling inhomogeneous rocksalt growth in Ni-rich cathode materials

, Authors: Svenja Both, Simon Hein, Arnulf Latz, Timo Danner
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-jjm7q
 
Subject: Chemistry
,
Working Paper
, Title:

An in-depth quantum chemical investigation of INVEST TADF dyes

, Authors: Youssef Badawy, Daniel Escudero
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-5z58k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Absolute Binding Affinity of a Phospholipid for a Membrane Protein

, Authors: Ezry Santiago-McRae, Omri Sheffer, Wayland W.L. Cheng, Jérôme Hénin, Grace Brannigan
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-t53z0-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Temporal Evolution of Potential Oscillations during Ethanol Electro-Oxidation Driven by CHx Accumulation: Insights from Microkinetic Modeling

, Authors: Leandro Hostert, Enrique Paredes-Salazar, Alfredo Calderón-Cárdenas, Hamilton Varela
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-b6k6f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Kinetic Basis for the Rational Design of Next-Generation β-Lactamase Inhibitors

, Authors: Shuang Chen, Manming Xu, Muchen Yu, Sergio Decherchi, Andrea Hujer, Christopher Bethel, Robert Bonomo, Shozeb Haider
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-x5w5p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Mechanism of TEMPO-Hypervalent Iodine(III) Oxidation of Alcohols

, Authors: Michael Bingham, Tapas Pradhan, Dhananjay Bhattacherjee, Rawiyah Alkahtani, Paul Kavanagh, Thomas Wirth, Paul Dingwall
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-nlkpk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Dichalcogenide Fidaxomicin Derivatives to Probe Thiol-Mediated Uptake into Bacteria

, Authors: Anastassia Kraimps, Tizian Griesser, Rui Wang, Silvia Dittmann, Jordan Costafrolaz, Erik Jung, Michael Meuli, Patrick H. Viollier, Susanne Sievers, Peter Sander, Karl Gademann
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-81f96-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric remote hydroalkylation of unactivated olefins to aliphatic amines with minimally different substituents

, Authors: Deyun Qian, Xin Kui, Junbiao Wu, Xin Yan, Lun Li, Siwei Ma
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-2w997
 
Subject: Chemistry
,
Working Paper
, Title:

Band Gap Opening in Graphene through Optimal Pore Size Templating by Organic 2D Crystals

, Authors: Shuangjie Zhao, Miroslav Položij, Thomas Heine
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-8nxs2
 
Subject: Chemistry
,
Working Paper
, Title:

Competing On-Surface Dynamics of Copper Catalyst Particles During Electrochemical CO2 Reduction

, Authors: Yifan Chen, Tom Burwell, Madasamy Thangamuthu, Sadegh Ghaderzadeh, Gazi Aliev, Haytham Hussein, Micheal Fay, Matthew Young, Richard Plummer, Emerson Kohlrausch, Peter Licence, Elena Besley, Wolfgang Theis, Jesum Alves Fernandes, Andrei Khlobystov
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-pthh7
 
Subject: Chemistry
,
Review
, Title:

The Non-covalent Stereocontrol of Disulfide bonds

, Authors: Laurent Vial, Julien Leclaire, Florent Perret, Elise Dumont, Adrien Forot, Titouan Chetot
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-k108b
 
Subject: Chemistry
,
Working Paper
, Title:

Organozinc Compounds in N,N-Dimethylformamide: Stability Towards Degradation and Reactivity in Negishi Cross-Coupling Reactions

, Authors: Maksym Nechayev, Mykyta Ivanytsya, Sofiia Dymura, Maksym Filippov, Elina Kamalova, Daryna Tretiak, Oleh Salamakha, Diana Doronina, Sergey Kolotilov, Serhiy Ryabukhin, Dmytro Volochnyuk
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-sgb20
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Deuteration of Neopentyl Glycol and its Effect on the Plastic Crystal Transformation

, Authors: Chase Somodi, Vanaparthi Satheesh, Tzu-Hsuan Chao, Daniel Tabor, Emily Pentzer, Patrick Shamberger
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-w5vfl
 
Subject: Chemistry
,
Working Paper
, Title:

The Acetonitrile – Propane Co-Crystal: Characterization of a New Cryomineral Stable in Titan-Relevant Conditions

, Authors: A'Laura Hines, Tait Francis, Tuan H. Vu, Robert Hodyss, Andre Clayborne, Courtney Ennis, Morgan L. Cable
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-dtzd6
 
Subject: Chemistry
,
Working Paper
, Title:

Multigram Synthesis of 2-Oxaadamantane and 5-Substituted Derivatives

, Authors: Ioann Popov, Olexandr Pashenko, Svitlana Shishkina, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-xjs2z
 
Subject: Chemistry
,
Working Paper
, Title:

A transfer cell for ultra-high vacuum surface analysis of samples exposed to electrochemical environments

, Authors: Estephania Lira, Andrea Grespi, Niccolo Paoletti, Auden Ti, Andrea M. Rodríguez, Alfred Larsson, Lindsay R. Merte, Edvin Lundgren
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-rfkm9
 
Subject: Chemistry
,
Working Paper
, Title:

Decomposition of Diisopropyl Methylphosphonate and Fluorine-Substituted Isomers on Mixed Metal Oxide Surfaces: Mechanisms from Ab Initio Molecular Dynamics

, Authors: Sohag Biswas, Bryan Wong
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-pdfr8
 
Subject: Chemistry
,
Working Paper
, Title:

A Small Molecule that Inhibits the Quorum Sensing Receptor AgrC in Staphylococcus aureus

, Authors: Thomas Polaske, Troy Vulpis, Alexandra Nelson, Ke Zhao, Helen Blackwell
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-gfr4r
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Responsive Polymers with Degradable Side-Chain Functionality

, Authors: Mithun Kumar Debnath, Maryam Behzad Khoshgoee, Griffin Pardo, Muhammad Zeeshan, Erqian Mao, Yichun Yuan, Thomas Gray, Burcu Gurkan, Matthew J. Bertin, Metin Karayilan
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-n1bqn
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the accuracy of Bayesian-optimized CGMD in predicting polymer miscibility

, Authors: Pranoy Ray, Asoma Yuichiro, Nikhith Vankireddy, Adam P. Generale, Nakauchi Masataka, Lee Haein, Yoshida Katsuhisa, Surya R. Kalidindi, Okuno Yoshishige
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-p14dx
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Insights into the Potency of Brain-Penetrant EGFR Inhibitors

, Authors: Abigail M. Lantry, Tahereh Damghani, Omobolanle A. Abidakun, Monica R. MacDonald, David E. Heppner
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-s6gw0
 
Subject: Chemistry
,
Working Paper
, Title:

Cost-Effective Platinum Single Atom Catalyst Synthesized through Chemical Diazonium Grafting on Carbon Cloth for Efficient Electrocatalytic Hydrogen Evolution

, Authors: Po-Wei Yu, Abdulaziz M. Almutairi, Tanglaw Roman, Le Nhan Pham, Yahya A. Alfayfi, Xun Pan, Gunther G. Andersson, Mats R. Andersson
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-l02c0
 
Subject: Chemistry
,
Working Paper
, Title:

Soil Carbon Quantification by Shifted-Excitation Raman Difference Spectroscopy with Common-Mode Rejection

, Authors: Mahsa Zarei, Miayan Larose, Natalia V. Solomatova, Sadegh Shokatian, Edward Grant
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-9zp3h
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled Synthesis of Sulfated Glycopolypeptides as Heparin Mimics via N-carboxyanhydride ROP for Anticoagulant Property

, Authors: Abinash Padhy, Abhishek Shaw, Aritra Konar, Rounak Mukhopadhyay, Sujoy K. Das, Sayam Sen Gupta
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-40hg3
 
Subject: Chemistry
,
Working Paper
, Title:

Free energies of bimolecular associations and the mechanisms of nanoscale molecular self-assemblies

, Authors: Argha Chakraborty, Avisek Das
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-0r0hz
 
Subject: Language and Linguistics
,
Poster
, Title:

Towards Automatic Detection of Developmental Language Disorders

, Authors: Kate Knill, Ansh Sharma, Charles McGhee, Elizabeth Buchanan-Worster, Rao Ma, Harriet Smith, Matthew H. Davis, Penny Karanasou
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-3nx1h
 
Subject: Language and Linguistics
,
Poster
, Title:

Exploring novel figurative language to conceptualise Large Language Models

, Authors: Ann Copestake, Lucy Duggan, Aurelie Herbelot, Amira Moeding, Eva von Redecker
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-m8t5m
 
Subject: Language and Linguistics
,
Poster
, Title:

The concept of PRESENT: its duration and structural ambiguity

, Authors: Anastasiia Petrenko
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-6q5gt
 
Subject: Engineering
,
Poster
, Title:

Speech and Language Foundation Models for Accurate and Interpretable Alzheimer’s Dementia Recognition

, Authors: Katherine Jackson, Mengjie Qian, Kate Knill
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-9vb6x
 
Subject: Psychology
,
Poster
, Title:

Goal-oriented plasticity of cortical speech tracking

, Authors: Pepita Alex, Marta Brzeska, Irina Guliaeva, Anastasia Klimovich-Gray
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-7b26q
 
Subject: Language and Linguistics
,
Poster
, Title:

The role of phonation type in Chinese Jin tones: a study using acoustic metrics

, Authors: Xiaojing Du
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-jmf2n
 
Subject: Language and Linguistics
,
Poster
, Title:

The acquisition of meanings resulting from telic and atelic predicates combined with -ed by L1 Chinese and Thai speakers

, Authors: Nuphak Charoensirisoonthorn, Henriette Hendriks
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-ln9qc
 
Subject: Language and Linguistics
,
Poster
, Title:

Tracking Meaning Through Variation: Cross-Situational Learning of Tonal Words and Underlying Phonological Rules

, Authors: Xinbing Luo, John Williams, Brechtje Post
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-rcjm3
 
Subject: Language and Linguistics
,
Presentation
, Title:

Metonymy beyond reference: how nominal metonymy vehicles carry speaker’s attitude

, Authors: Songqiao Xie, Napoleon Katsos
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-gd1kv
 
Subject: Language and Linguistics
,
Poster
, Title:

Metonymy beyond reference: how nominal metonymy vehicles carry speaker’s attitude

, Authors: Songqiao Xie, Napoleon Katsos
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-lx2f1
 
Subject: Language and Linguistics
,
Poster
, Title:

A multi-stage approach to information extraction and text classification in large untranscribed manuscript collections

, Authors: Rachael Margaret Griffiths, Marieke Meelen
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-kjqqh
 
Subject: Computer Science
,
Poster
, Title:

Deciphering the transformation of sounds into meaning: Insights from disentangling intermediate representations in sound-to-event DNNs

, Authors: Tim Dick, Elia Formisano, Alexia Briassouli, Enrique Hortal
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-375p0
 
Subject: Language and Linguistics
,
Poster
, Title:

Source text influence on target-likeness of translated motion event expressions: Bilingual processing in translation of Chinese-English and Chinese-French learners

, Authors: Lin Shen, Henriëtte Hendriks
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-wnd00
 
Subject: Language and Linguistics
,
Poster
, Title:

Heritage Language Education at a Crossroads: A Systematic Review on Two Decades of Research in the UK (2004–2024)

, Authors: Xiangning Li, Yue Zhou, Yongcan Liu
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-6bwx9
 
Subject: Computer Science
,
Protocol/Methodology
, Title:

Critiques of End-to-End Vision: A Case for Retrieval-Augmented Object Identification (RAOI)

, Authors: Qamar Muneer Akbar
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-9cn7g
 
Subject: Chemistry
,
Working Paper
, Title:

GC–MS Characterization of Hydrocarbon Degradation and Phytotoxicity Reduction in Crude-Oil–Contaminated Soil Amended with a Valorized Agro-Waste Biostimulant.

, Authors: Mathew Gideon, Helen Aladi Egwu, Stephen Ateh Samuel, Abakeyah James Mamman
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-9v9f3
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Deriving the Compton Wavelength Equation by the Classical Method

, Authors: Abolfazl Soltani
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-wlnkq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Strategic MOF Linker Methylation to Direct Pore Structure and Local Dynamics

, Authors: Deepika Rani, Marco Bengsch, Christophe Fares, Michael Patzer, Constanze Neumann
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-1zwdg
 
Subject: Mathematics
,
Working Paper
, Title:

“Group Think”: On the Collatz Conjecture via Tao’s Smoothing and Sobolev Techniques

, Authors: Jonathan Kenigson
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-0z291
 
Subject: Computer Science
,
Working Paper
, Title:

Development of an Informational Telegram Bot for a Logistics Company

, Authors: Almaz Yarullin
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-sgph8
 
Subject: Mathematics
,
Working Paper
, Title:

Prime numbers expressed in the base 2 system and their relationships with other prime numbers used as a new method for prime number generation

, Authors: Pedro Alejandro Chou Rodriguez
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-0dvx0
 
Subject: Mathematics
,
Working Paper
, Title:

The Lethargic Kangaroo: Diffusive Mixing and Coupling Latency in Clustered Step Sets

, Authors: Max Freedom Pollard, Vladimir N Potapov, Nikolay Vladimirovich Guminov
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-8f4r9
 
Subject: Mathematics
,
Working Paper
, Title:

Differential Algebraic Methods in Ramsey Theory: A Constructive Framework for Ramsey Numbers and Asymptotic Analysis

, Authors: shifa liu
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-13z6n
 
Subject: Mathematics
,
Working Paper
, Title:

On the Equality of Algebraic and Analytic Ranks for Algebraic Curves: A Rigorous Differential Algebraic Approach

, Authors: dongqi liu, shifa liu
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-cn3x5
 
Subject: Computer Science
,
Working Paper
, Title:

The Zero-Click Marketplace: An Analysis of the Commercial Spyware Ecosystem and its Geopolitical Implications

, Authors: kalp modi
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-1wmxr
 
Subject: Chemistry
,
Working Paper
, Title:

Tailoring the OER activity of Co3O4(001) by Mn and V-doping: insights from DFT+U calculations

, Authors: Palani Muthu Kumar, Rossitza Pentcheva
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-qc7lz
 
Subject: Mathematics
,
Working Paper
, Title:

On the Equality of Algebraic and Analytic Ranks for Higher-Dimensional Varieties: ADifferential Algebraic Approach

, Authors: dongqi liu, shifa liu
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-4w149
 
Subject: Mathematics
,
Working Paper
, Title:

A Differential Algebraic Proof of the Birch and Swinnerton-Dyer Conjecture

, Authors: dongqi liu, shifa liu
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-wp00f
 
Subject: Mathematics
,
Working Paper
, Title:

Riemannian Manifolds of Asymmetric Equilibria: The Victoria-Nash Geometry

, Authors: Daniel Henrique Pereira
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-w62n9-v2
 
Subject: Engineering
,
Working Paper
, Title:

Thermoelectric Powered Regeneration of Incomplete Combustion Cooking Pollutant Capturing Amines

, Authors: Samuel Asefa
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-mj9mb
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A Contemporary Restatement of Dingle’s Challenge to Special Relativity

, Authors: Germano D'Abramo
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-60nn9-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Global Invertibility of Function in H2(C+)

, Authors: Sui Qing
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.33774/coe-2025-t5pwl
 
Subject: Chemistry
,
Working Paper
, Title:

Light on: Impact of reaction conditions and catalyst synthesis in Co3O4-catalyzed Aerobic Oxidation of Ethylene Glycol

, Authors: Catalina Leiva-Leroy, Yuheng Jiang, Carsten Placke-Yan, Jean Pascal Fandre, Leon Müller, Wilma Busser, Dongsheng Zhang, Akhil Hareendran, Meltem Topcu, Hartmut Wiggers, Christof Schulz, Harun Tüysüz, Stephan Schulz, Bastian Mei, Martin Muhler
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-bdf6c
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Driven Radical Catch-and-Release with BODIPY Photocages

, Authors: Anna Poryvai, Karolína Bangievská, Ján Tarábek, Sandrine Gerber-Lemaire, Tomáš Slanina
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-96t6r
 
Subject: Chemistry
,
Working Paper
, Title:

High-Dissymmetry Chiroptical Switching in Proton–Responsive [8]Helicene Bisbenzimidazoles

, Authors: Amira A. C. Hartmann, Vincenzo Brancaccio, Krzysztof Radacki, Holger Braunschweig, Prince Ravat
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-q2krc
 
Subject: Chemistry
,
Working Paper
, Title:

Chemically Triggered Protein-Driven Negative Curvature Enables Endocytosis-like Inward Division

, Authors: Yuki Nagai, Aika Yamamoto, Koki Kamiya
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-77qrv
 
Subject: Chemistry
,
Working Paper
, Title:

Uncovering Monitoring Gaps and Novel Persistent and Mobile Substances (PMs) in Groundwater Using Lyophilisation Enrichment and SFC-HRMS Smart Screening

, Authors: Till Meier, Thorsten Reemtsma, Qiuguo Fu
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-d3wb4
 
Subject: Chemistry
,
Working Paper
, Title:

Light-programmable photoredox colloids for reconfigurable assemblies

, Authors: Majid Basharat, Jakob Metson, Anthony Jesús Martínez, Michalis Chatzittofi, Ramin Golestanian, Katherine Villa
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-p3wgj
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the unique Regio- and Stereoselective (3 + 2) Cycloaddition Reaction of Diazoalkanes with 6H-1,2-Oxazines Through Density Functional Theory

, Authors: Isaac Ofori, Evans Adei, Richard Tia
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-1f0r8
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Molecular Conductance Predictions using Wavefunction-in-DFT Quantum Embedding

, Authors: Dávid P. Jelenfi, Dávid Mester, Attila Tajti, Péter G. Szalay
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-r4vfs
 
Subject: Chemistry
,
Working Paper
, Title:

Intrinsic Electronic Conductivity in Designed Self-Assembled Tryptophan Zipper Peptide Nanowires

, Authors: Roi Lopez-Blanco, Lisa Almonte, Sergey Pyrlin, Francesca Peccati, Juan David Cortes, David Bouzada, Carmen González-González, Pablo Cortón, Bruno Dacunha-Marinho, Elena Pazos, Gonzalo Jiménez-Osés, Manuel Melle-Franco, M. Reyes Calvo, M. Eugenio Vazquez
Version undefined posted 01 December 2025
Posted
Dec 01, 2025
10.26434/chemrxiv-2025-d4t5h
 
Subject: Chemistry
,
Working Paper
, Title:

From egg-shell to uniform distribution of platinum by atomic layer deposition on mesoporous alumina spheres: Experiments and modeling

, Authors: Christine Gonsalves, Jänis Järvilehto, Saedy Saeed, Jorge Velasco, Thomas Grehl, Philipp Brüner, Niko Heikkinen, Juha Lehtonen, Ruud van Ommen, Riikka Puurunen
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-6w5dt
 
Subject: Chemistry
,
Working Paper
, Title:

Markovnikov Hydroalkoxycarbonylation of Unactivated Alkenes via Cobalt/Photoredox Dual Catalysis

, Authors: Donghao Jiang, Cheng Wang, Xinzhu Li, Cuining Liu, Zhudi He, Li-Jie Cheng
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-q9c8m
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of 3D-Printed Structured Packings – Current State and Future Developments

, Authors: Dennis Stucke, Sebastian Blauth, Christian Leithäuser, Thomas Grützner
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-54lbn
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Generalizable Data-Driven Pharmacokinetics with Interpretable Neural ODEs

, Authors: Yaning Cui, Xiaohong Ji, Wentao Guo, Shangqian Chen, Tao Shen, Liye Chen, Guolin Ke, Chuanfei Jin, Zhifeng Gao, Weijie Sun
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-23txs
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Flexibility-Controlled Ion Solvation and Electrode Reaction Kinetics in Sulfite-Based Lithium-Ion Battery Electrolytes

, Authors: Misa Yamashita, Saki Sawayama, Kenta Fujii
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-rvp45
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Eutectic Solvents as Recyclable Media for Metal Removal from Crude Oil

, Authors: Eminemi Mirinn, Andrew P. Abbott, Alexander F. R. Kilpatrick
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-lbgmm
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot synthesis of alkyl caffeates from chlorogenic acid using a heterogeneous biocatalyst generated by glycan oxidation-mediated immobilization (Gloxi)

, Authors: Idania López-López, Mariana Antonieta Armendáriz-Ruiz, Fernando López-Gallego, Jorge Alberto Rodríguez-González, Anne Lomascolo, Daniel Alberto Grajales Hernández, Juan Carlos Mateos-Diaz
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-4m2lg
 
Subject: Chemistry
,
Working Paper
, Title:

A structure-based platform for predicting chemical-induced Parkinson's disease

, Authors: Linde Schoenmaker, Emmelie van der Veer, Daan Jiskoot, Olivier Béquignon, Gerard van Westen, Willem Jespers
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-jr9v7
 
Subject: Chemistry
,
Working Paper
, Title:

On the Origin of Circularly Polarized Luminescence in Chiral One-Dimensional (A)PbBr3 Single Crystals

, Authors: Maria Maniadi, Marie Guesdon, Kostiantyn Tieriekhov, Aseem Rajan Kshirsagar, Davide Spirito, Beatriz Martín-García, Nicolas Mercier, Oriol Arteaga, Mikaël Kepenekian, Claudine Katan, Alexandre Abhervé
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-zkdhx
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Methylthiolation of (Hetero)Aryl Halides at Room Temperature Using Sodium Thiomethoxide Via Palladium-Catalysis

, Authors: Ameni Hadj Mohamed, Ross D Ballantine, Linhua Shen, Mouhsine Bouchaib, Mélanie Chenon, Vincent Robert, Carlo Pifferi, Massimiliano Beltramo, Mouad Alami, Davide AUDISIO, Vincent Aucagne, Samir MESSAOUDI
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-vlb35
 
Subject: Chemistry
,
Working Paper
, Title:

Grain engineering in electrodeposited cathodes unifies advantages of single crystal and polycrystal cathodes

, Authors: Arghya Patra, Robert Busch, Carlos Juarez-Yescas, Beniamin Zahiri, Michael Caple, Daniel P. Abraham, Jian-Min Zuo, Paul V. Braun
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-g71hn
 
Subject: Chemistry
,
Working Paper
, Title:

Which natural organic matter components limit PFAS removal by activated carbon?

, Authors: Marko Pranić, Beatrice Cantoni, David Ridder, Manuela Antonelli, Albert van der Wal, Jouke Dykstra
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-n7w1f
 
Subject: Chemistry
,
Working Paper
, Title:

“T-Shaped” Excimer Fluorescence of Chiral Crystals of [2.2]Paracyclophane-Containing Organoboron Complexes

, Authors: Shun Irii, Takuya Ogaki, Arimasa Matsumoto, Hiroyasu Sato, Yasunori Matsui, Hiroshi Ikeda
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-ftfxt
 
Subject: Chemistry
,
Working Paper
, Title:

Intrinsic electrocatalytic activity of nitrogen-doped monolayer graphene observed using a Janus bilayer design

, Authors: Gloria Alexander, Tobias Grosser, Cathy Sulaiman, Raquel Sánchez-Barquilla, Emil Fuhry, Isabell Wachta, Robert Jungnickel, Jan Ingo Flege, Kannan Balasubramanian
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-27573
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic Insights into Aqueous Phase Carbonyl Hydrogenation over Ru Catalysts from a Hybrid QM/MM/ML Potential

, Authors: Mehdi Zare, Dia Sahsah, Paratee Komen, Andreas Heyden
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-pq33d
 
Subject: Chemistry
,
Working Paper
, Title:

Divergent synthesis of 1-aminonaphthalene derivatives via the Diels–Alder reaction of 3-aminoarynes

, Authors: Tomoka Okada, Mayu Kawada, Suguru Yoshida
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-8jqx8
 
Subject: Chemistry
,
Working Paper
, Title:

Preparative Synthesis of Previously Inaccessible 1-, 9-Mono and 1,9-Disubstituted Noradamantanes for Medicinal Chemistry

, Authors: Oleh Smyrnov, Oleksii Pidvyshennyi, Inna Suk, Olga Shablykina, Kostiantyn Melnykov, Olexandr Pashenko, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-kfn7w
 
Subject: Chemistry
,
Working Paper
, Title:

Lone Pairs of Carbogenic Center Enable Thermally Activated Delayed Fluorescence from Carbon to Ligand Charge Transfer Excited States

, Authors: Ondřej Mrózek, Jade Roman, Yi-Jyun Lien, Thabassum A. Nattikallungal, Stephen E. Bradforth, Peter I. Djurovich, Mark E. Thompson
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-4vvdm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Another definition of stability

, Authors: JiaLiang Ye, Ink YouKo
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-sg3dj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Polypharmacology Browser PPB3: A Web-based Deep Learning Tool for Target Prediction Using ChEMBL Data

, Authors: Maedeh Darsaraee, Sacha Javor, Jean-Louis Reymond
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-rlgq5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Control of Selectivity in Liquid-Phase Chemical Processes through Polymer-Mediated Solvation

, Authors: David Moses, Xuyang Qin, Sonia Julius, Shikha Nangia, Theodore Walker
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-ctbt8-v2
 
Subject: Chemistry
,
Review
, Title:

Advantage, limitations, and performance insight of commonly used computation chemistry methods for solvation free energy estimation

, Authors: Chengze Yang
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-t1gtk-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of the Lithium extraction mechanism from LiNi0.6Mn0.2Co0.2O2 by using operando neutron diffraction in an all-solid-state battery

, Authors: Sreelakshmi Anil Kumar, Dhanush Shanbhag, Ove Korjus, Prashanth Sivakumar, Laurence Croguennec, Christian Masquelier, Jean-Noël Chotard, Emmanuelle Suard
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-4gpgb
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Meaning of the Constant B in the Vogel-Fulcher- Tammann Equation Describing Primary Relaxation in Fragile Glass-Forming Liquids: Case Study of Aspirin

, Authors: Peter Skrdla
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-c9r0c
 
Subject: Chemistry
,
Working Paper
, Title:

Biocatalytic Mechanistic Investigation of Sulfur Oxidation in Dimeric Model of Polyphenylene Sulfide Polymer (PPS) by DszC Enzyme

, Authors: Pei Wang, Changru Ma, Anthony Bocahut, Sophie Sacquin-Mora, Carine Michel, Natacha Gillet
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-ds9mk
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Synthesis of Benzothiophene-Fused Pentalene Reveals Substituent-Dependent Antiaromaticity

, Authors: Ryosuke Isogai, Kosuke Yasui, Aiko Fukazawa
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-58vnd
 
Subject: Chemistry
,
Working Paper
, Title:

Employable Electrocatalysts: a DFT Investigation of NORR using Porphyrin-Based Transition Metal SACs

, Authors: Kyla Younger, Irina Paci
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-vdtfq
 
Subject: Chemistry
,
Working Paper
, Title:

5-Functionalized 2-Azahousanes: Synthesis and Core Stability Towards Chemical Transformations

, Authors: Sergiy Galavskyy, Anton Chernykh, Tetiana Druzhenko, Svitlana Shishkina, Valeriya Makhankova, Oleksandr Grygorenko, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-tznnp
 
Subject: Chemistry
,
Working Paper
, Title:

Enantiodivergent Evolution of a De Novo Protein for Enzymatic [2+2] Photocycloaddition Activity

, Authors: Benedikt Boesen, Anna Heider, Jack Maurice O'Shea, Michael Groll, Thorsten Bach, Cathleen Zeymer
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-h50hc
 
Subject: Chemistry
,
Review
, Title:

Beyond Exactness: Approximation Strategies to the Many-Body Schrödinger Equation for Modern Quantum Chemistry Applications

, Authors: Chengze Yang
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-jzv5j-v4
 
Subject: Chemistry
,
Review
, Title:

A Universal Framework for Ligand-Directed Artificial Photosynthesis by Hydrolyzed Titanium Complexes

, Authors: Gregory Arzoumanidis, Michail Paraskevas
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-c2jj4
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical control over electron density of InAs quantum dots

, Authors: Yan B. Vogel, Rui Tao, Hua Chen, Lorenzo J.A. Ferraresi, Simon C. Boehme, Dmitry N. Dirin, Ivan Shorubalko, Arjan J. Houtepen, Maksym V. Kovalenko
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-j064p
 
Subject: Chemistry
,
Working Paper
, Title:

Access to Rare D- and L-Hexoses from C1-Nucleophiles via Anomeric Acylation

, Authors: Timothy Davis, Mohit Kumar, Santosh Shelar, Maciej Walczak
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-8jtmx
 
Subject: Chemistry
,
Working Paper
, Title:

Practical Toolkit for the Installation of Pyrrolo[2,3-c/3,2-c]pyridazine Cores into MedChem Relevant Compounds

, Authors: Serhiy Ryabukhin, Dmytro Volochnyuk, Mykyta Kordubailo, Oleksandr Borysov, Volodymyr Voloshchuk, Sergiy Vlasov
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-dlr11
 
Subject: Chemistry
,
Working Paper
, Title:

Mitochondria-Directed OGG1 Organocatalytic Switches Restore Organelle Function Under Oxidative Stress

, Authors: Maeve Long, James Tribble, Rahul Upadhyay, Alice Eddershaw, Nicholas D. D'Arcy-Evans, Alan Nicol, Sara Cano-Franco, Emma Scaletti Hutchinson, Alicia del Prado, Hannah Stigsdotter, Natalie Rudolfova, Dinesh Nirmalan, Elisee Wiita, Ingrid Almlöf, Andreas Krämer, Oliver Mortusewicz, Olov Wallner, Opher Gileadi, Evert Homan, Stefan Knapp, Miguel de Vega, Pål Stenmark, Alexandra Stolz, Thomas Helleday, Michael Sundström, Pete Williams, Maurice Michel
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-420n2
 
Subject: Chemistry
,
Working Paper
, Title:

Strain-Release Pentafluorosulfanylation of Carbonyl-Containing Disubstituted Bicyclobutanes: Insight on SF5…C=O Interactions and a Fortuitous Path to SF5-Containing Oxa[2.1.1]bicyclohexanes

, Authors: Alexander Stephens, Jake Olvera, Yannick Kraemer, Tyson Vu, Wang-Yeuk Kong, Sudiksha Chaturvedi, Jeffrey Wang, Dean Tantillo, Cody Pitts
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-xtbsz
 
Subject: Chemistry
,
Review
, Title:

Stereoisomerism and Dynamic Conformations of Pillar[n]arenes and Related [1n]Paracyclophanes

, Authors: Kenichi Kato, Shunsuke Ohtani, Tomoki Ogoshi
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-kn9k5
 
Subject: Chemistry
,
Working Paper
, Title:

Photoperiodic Regulation of Non-Equilibrium Self-Assembly via Switchable Acyl Phosphates

, Authors: Thejus Pramod, Lenard Saile, Arti Sharma, Kun Dai, Debjyoti Bhattacharjee, charalampos Pappas
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-nj6sv
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Retrieval Lost to Time: A Typology of Structural Erasure in Intellectual and Political Memory

, Authors: Evlondo Cooper
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.33774/apsa-2025-79cd6
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Ideology, Elite Cohesion, and Authoritarian State Building: Evidence in Southern Song China

, Authors: Xiongfu Xiao
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.33774/apsa-2025-nllh9-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Are We The Baddies? We May Get The Data We Deserve

, Authors: Thomas Jamieson
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.33774/apsa-2025-75qtl
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design of Biologically Selective PFAS Binders for Medicinal Use

, Authors: Jordan Chong
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.26434/chemrxiv-2025-nsxd2
 
Subject: Religion
,
Working Paper
, Title:

A Hypothesis on the Exodus Route through the Red Sea Crossing at Bab al-Mandeb Strait

, Authors: ASHRAFUL ISLAM
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.33774/coe-2025-26367
 
Subject: Computer Science
,
Working Paper
, Title:

Almost Polynomial Matching with Extended Regular Expressions

, Authors: Mirzakhmet Syzdykov
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.33774/coe-2025-v0nlf-v2
 
Subject: Law
,
Working Paper
, Title:

How do climate-related implications of obligations under the Companies Act 2006, particularly section 393, relate to the duties and powers of investment intermediaries?

, Authors: Kaden Pradhan, Nick Scott
Version undefined posted 02 December 2025
Posted
Dec 02, 2025
10.33774/coe-2025-02sj0
 
Subject: Chemistry
,
Working Paper
, Title:

Access to Highly Substituted Pyridines via Energy Transfer

, Authors: Corinna Schindler, Pieter Boer, Lillian Carleu, Seren Parikh, Emily Wearing
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-jsqj5
 
Subject: Chemistry
,
Working Paper
, Title:

‘Nano Fairy Bread’: A Solution-Based Approach to C60/Graphene Hybrids

, Authors: Heath Bach, Chengyi Liu, Aliyu Salisu, Sam Chen
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-zwtdk
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design of a μ-Opioid Receptor Agonist with Integrated Calcium Channel Modulation: Computational Insights

, Authors: Simon Spencer
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-vzb51
 
Subject: Chemistry
,
Working Paper
, Title:

Background-Free Nanopore Decoding of microRNA Expression Patterns Using Circular Diagnostic DNA

, Authors: Soma Emura, Nanami Takeuchi, Tomoko Ohshima, Kazuhito Satomura, Ryuji Kawano
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-tcgk9
 
Subject: Chemistry
,
Working Paper
, Title:

Halogen Bonds under Electric Field with Quantum Accuracy and Relativistic Basis Sets

, Authors: Gabriele Ottanà, Simona Mastronardo, Petr Eminger, Klaudia Mràzikovà, Sebastiano Trusso, Franz Saija, Martin Ferus, Luigi Monsù Scolaro, Jing Xie, Matteo Tommasini, Giuseppe Cassone
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-2m311
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidation of Adsorption Mechanisms of Anionic Moieties in Polymers and Their Effect on the Oxygen Reduction Reaction on a Pt Surface Using a Pt(111) Single-Crystal Electrode and In-House Synthesized Ionomers

, Authors: Kensaku Kodama, Kenji Kudo, Akihiro Shinohara
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-r0xc6
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid screening platform for discovering novel peptide prenyltransferases to expand the structural diversity of pseudo-natural prenylated peptides

, Authors: Sumika Inoue, Shunya Matsushita, Sayaka Ito, Marin Yokomine, Masayuki Satake, Chikako Okada, Keisuke Hamada, Yuchen Zhang, Risa Ohta, Hiroaki Suga, Masahiro Okada, Toru Sengoku, Yuki Goto
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-t0l3x
 
Subject: Chemistry
,
Working Paper
, Title:

CsPbBr3 Nanocrystals Enabled Core-extension of 6-Aza-Uracils employing N-phenyl glycine in Visible Light

, Authors: Buddhadeb Pal, Pravat Nayek, Chidananda Biswal, Sagnik Bhattacharya, Prasenjit Mal
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-kgwn5
 
Subject: Chemistry
,
Working Paper
, Title:

Can you help ChatGPT get an ‘A’ in organic chemistry? Teaching effective prompting of large language models for reaction prediction

, Authors: Elizabeth S. Thrall, Olivia M. Vanden Assem, Julia A. Schneider, Joshua Schrier, Sebastian Tassoti
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-9kgrr
 
Subject: Chemistry
,
Working Paper
, Title:

Polytetrafluoroethylene (PTFE) Artificial Pericardium Fabricated via Electrospinning and Thermo-Expansion: Evaluation of Local Tissue Response After Implantation

, Authors: Evgeniy Melnik, Shamil Akhmedov, Vladimir Lugovsky, Ivan Stepanov, Boris Kozlov, Semen Goreninskii, Evgenii Plotnikov, Vyacheslav Buznik, Andrey Yaroslavtsev, Evgeny Bolbasov
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-4klhm
 
Subject: Chemistry
,
Working Paper
, Title:

PARAMAGNETIC SUPRAMOLECULAR POLYMERS OF METAL-METAL BONDED DIRUTHENIUM COMPLEXES

, Authors: Lourdes del Álamo, Rodrigo González-Prieto, Jose Luis Priego, Laura Castañar, Ivo Krummenacher, Jose Manuel Pérez-Cañadillas, Santiago Herrero, Maria J. Mayoral
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-16szp
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Synthesis of Titanium-Beta Zeolite Using N-methyl-2-pyrrolidone and Beta seeds

, Authors: Hedieh Sadat Tabatabaeizadeh, Francesca Rosso, Francesca Bonino, Silvia Bordiga, Valentina Crocellà, Miguel Camblor, Matteo Signorile
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-tb2cd
 
Subject: Chemistry
,
Working Paper
, Title:

From Macrocycle to Cage: Structural Effects on Photo-Switching and Chiroptical Properties

, Authors: Diptiprava Sahoo, Ritisha Srimany, Alex Andrews, Soumen De
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-knv7d
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Compositional and Interfacial Chemistry of Anti-perovskite Solid Electrolytes for Li-metal Battery Applications

, Authors: Yuda Li, Jie Su, Yi Li, Jiangang He, Chris Wolverton, Zhenpeng Yao
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-mbnjg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Disentangling Cooperative Electron Correlation and Primary Coordination Sphere Effects in [4Fe-4S]+ Structural Isomerism and π-Acid Activation

, Authors: Shelby Davis, Daniel Gibney, Jan-Niklas Boyn
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-jg1qj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-based peptide design identifies inhibitors of the dyskerin/dyskerin interaction in H/ACA ribonucleoproteins targeting brain tumour cell lines

, Authors: Suzanne van Wier, Zoe Goddard, Xiufen Lei, Ellen Hyde, Daniel Picard, Emily Hobson, Marco Cominetti, Maria O'Connell, Mark Searcey, Marc Remke, Luiz Penalva, Andrew Beekman
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2024-lf2kt-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Robust Delocalized Frenkel Excitons in Two-Dimensional Supramolecular Assemblies

, Authors: Alexey V. Kuevda, Mónica K. Espinoza Cangahuala, Pieter J. Brongers, Sundar Raj Krishnaswamy, Carlo Fasting, Steffen Ernst, Kai Licha, Giuseppe Portale, Richard Hildner, Thomas L.C. Jansen, Maxim S. Pshenichnikov
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-p4jrf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site

, Authors: David Alencar Araripe, Alejandro Díaz Holguín, Antti Poso, Gerard J.P. van Westen, Johan Åqvist, Hugo Gutiérrez-de-Terán, Willem Jespers
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-x3r3z-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Protein-Based Determination of Model Redox Potentials for the High-Potential and the Low-Potential Redox Transition of [4Fe-4S]-Cys4 Clusters using Continuum Electrostatics

, Authors: Rajeev Ranjan Roy, Maxim Janzen, G. Matthias Ullmann
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-bptr3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Eyring's Rate Theory and Its Connection to Entropy Scaling: Viscosity and Self-Diffusion of Hydrocarbons, Alcohols, and Water

, Authors: Maximilian Fleck, Marcelle Spera
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-nbhbq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Glycan-Gold Nanoparticle Architectures: Linker Length, Glycan Type and Density Governing Multivalent Lectin Binding and Viral Inhibition

, Authors: Maisie Holbrow-Wilshaw, Darshita Budhadev, Amy Kempf, Inga Nehlmeier, Stefan Pöhlmann, Bruce Turnbull, Yuan Guo, Dennis McGonagle, Dejian Zhou
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-cxkhm
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable Design of Bio-Composite Membranes for Dual Contaminant Separation and Environmental Remediation

, Authors: Mohd Najmus Saquib, Saurabh Dubey, Srijita De, Arijit Mohanta, Sachin Kumar Sharma, Dipankar Bandyopadhyay
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-cqw8b
 
Subject: Chemistry
,
Working Paper
, Title:

Tunable aromatic sulfoxides and sulfones as cysteine-targeting warheads: exploring the structure-reactivity relationship

, Authors: Hampus Nyström, Anna P. Valaka, Hanna A. Kalesse, Liliana Håversen, Thomas Olsson, Anders Gunnarsson, Jan Borén, Morten Grøtli
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-md104
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum engineering of mixed-valence 1D conjugated polymers

, Authors: Lesly Katherine Sánchez De La Cruz, Jordi Ribas-Arino, Stefan Thomas Bromley, Isaac Alcón
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-8w7xt
 
Subject: Chemistry
,
Working Paper
, Title:

Acetone Recycling: A Case Study in the Undergraduate Teaching Laboratory

, Authors: Elizabeth Sarah Munday, Naam Ghedia, Martyn Towner, Claire Gacki
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-f84c1
 
Subject: Chemistry
,
Working Paper
, Title:

An integrative approach towards bio-inspired sequestration of rare earth elements

, Authors: Yulia Perevedentseva, Lukas Waurick, Dini Marlina, Gerda Techert, Yannic Müllers, Franziska Lederer, Heiko Möller, Michael Kumke, Ulrich Glebe, Björn Drobot
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-lrfbx
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing numerical strategies for efficient analysis of Nuclear Magnetic Relaxation Dispersion profiles

, Authors: Zlanseu Ruth Tan, Natalie Malikova, Guillaume Mériguet, Laurent Michot, Jean-Pierre Korb, François Ribot, Pierre Levitz, Anne-Laure Rollet
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-6c9ql
 
Subject: Chemistry
,
Working Paper
, Title:

Facet-Dependent Catalytic Performance of Solution-Derived Epitaxial Bismuth Vanadate Photoanodes

, Authors: Guan-Zhu Tu, Shin-Yu Chen, Chih-Yu Chuang, Pei-Wen Cheng, Chun-hsien Chen, Chang-Ming Jiang
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-q1vl6
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding coupling in hierarchically doped plasmonic nanocrystal metamaterials

, Authors: Tanner Wilcoxson, Yujin Park, Tanay Paul, Jordan Hachtel, Delia Milliron, Thomas Truskett
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-38d85
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Energy Photocatalytic C–H Amination of Arenes Enabled by an Orange-Light Organic Photooxidant

, Authors: Ramandeep Kaur, Thomas L. Gianetti
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-z3tcf
 
Subject: Chemistry
,
Working Paper
, Title:

Tunable Enhancement of Polyester Biocomposites via Extrusion with Fungi-derived Chitin

, Authors: Adam Caridi, Amelia Kurowska, Erlantz Lizundia, Joshua Worch
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-jq72j
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced aging stability of ordered mesoporous silica materials synthesized via true liquid-crystal templating: a small-angle X-ray scattering study

, Authors: Xiangyin Tan, Boshra Atwi, Huy Bui Duc, Michael Buchmeiser, Frank Giesselmann
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-21ngx
 
Subject: Chemistry
,
Working Paper
, Title:

Isocyanates and Isocyanides as Substrates for the Acid-Mediated Ring Expansion of Cyclotriphosphanes: Access to 1-imino-2-oxo-3,4,5-triphospholanes and 1-imino-2,3,4-triphosphetanes

, Authors: Helen Leslie, Mitchell Nascimento, Brian Patrick, Etienne LaPierre, Ian Manners
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-5sgmt
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon–Iodine Atropisomerism on Triazole and Triazolium Frameworks: A Breathing Axle with Divergent Adaptivity

, Authors: Ryoga Nambu, Jun Kikuchi, Arimasa Matsumoto, Naohiko Yoshikai
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-jjfdf
 
Subject: Chemistry
,
Working Paper
, Title:

A C₁-Homologative Trifluoromethylation: Light-Driven Decarboxylative Trifluoroethylation of Carboxylic Acids

, Authors: Federico Belnome, Antonio Pulcinella, Stefano Bonciolini, Mattia Lepori, Oleksandr Datsenko, Zhen He, Matteo Gasparetto, Pavel Mykhailiuk, Bas de Bruin, Timothy Noel
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-9jfwq
 
Subject: Chemistry
,
Working Paper
, Title:

Rh(III)-Catalyzed, N-Amino-Directed C-H Coupling with 2-Oxo-3-Butynoates to Benzodiazepines

, Authors: Renpeng Zhou, Mengjie Yang, Lang Tai, Zhixin Wang, Xuanzhen Han, Jin Zhu
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-q71mv
 
Subject: Chemistry
,
Working Paper
, Title:

NiII–PdII as a More Solution-Stable Paddlewheel Alternative to CuII–CuII in Metal–Organic Cages

, Authors: Shannon Thoonen, Elaine Marques, Dhairya Hans, Kellie Tuck, David Turner
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-2tmnf
 
Subject: Chemistry
,
Working Paper
, Title:

Correlating the Reactivity of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Ene-Yne Metathesis and Cyclopolymerization

, Authors: Sarthak Mohanty, Severin Haid, Johannes Kästner, Michael Buchmeiser
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-nrslb
 
Subject: Chemistry
,
Working Paper
, Title:

Reactivity Manipulation in Ionic Liquids; Modulation of Alkylammonium Classes in Spontaneous Perovskite Passivators

, Authors: Naoyuki Nishimura, Yoyo Hinuma, Hiroyuki Kanda, Takurou N. Murakami
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-tk0lk
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Long-lived Triplets in phosphine-Modified TIPS-Anthracene Based Au(I) Complexes for Photoinduced Electron Transfer and Room-temperature Phosphorescence

, Authors: Avik Bhanja, Sree Chithra, Rafael Araujo, Ebin Sebastian, Tomas Edvinsson, Victor Gray
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-ggnhv
 
Subject: Chemistry
,
Working Paper
, Title:

Reassessing monomer fractions in SAFT: Quantifying the extent of hydrogen bonding in solvating mixtures using MCR-ALS

, Authors: Aiden Burgess, Fariborz Shaahmadi, Andries Burger, Jamie Cripwell
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-dfklw
 
Subject: Chemistry
,
Working Paper
, Title:

On the Consequences of Categorical Completion in Gas Dynamics: Resolution of Gibbs’ Paradox Through Categorical State Irreversibility

, Authors: Kundai Sachikonye
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.26434/chemrxiv-2025-4wfkj
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Feminists as ‘Foreign Forces’: Ideological Configuration of Nationalism and Feminism Among Chinese Internet Users

, Authors: Yating Zhang
Version undefined posted 03 December 2025
Posted
Dec 03, 2025
10.33774/apsa-2025-w675r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hemilability Modulation via Phosphane-Triazole Ligand Design: Impact on Catalytic Formic Acid Dehydrogenation

, Authors: Susana García-Abellán, Andrea Pérez-García, Daniel Barrena-Espés, Miguel A. Casado, Julen Munarriz, Vincenzo Passarelli, Manuel Iglesias
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-hd3x7
 
Subject: Chemistry
,
Working Paper
, Title:

From Spectra to Local Networks: Evaluating MS² Similarity Metrics

, Authors: Viktoriia Turkina, Quinten van Erp, Annemieke Petrignani, Garry Corthals, Jake W. O'Brien, Saer Samanipour
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-15bgs
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Pressure on Molecular and Transition-State Geometries

, Authors: Jorge Laranjeira, Ruobing Lang, Roberto Cammi, Bo Chen
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-2w6df
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidative Hetero-Coupling: Iron and Copper-Mediated 1,2Dicarbofunctionalization

, Authors: Chandru Murugan, Bincy Chindan, Sanjai R Yogaraj, Sheryl C Parakkal, Venkadesh Balakrishnan, Ramesh Rasappan
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-cf6l2
 
Subject: Chemistry
,
Working Paper
, Title:

Crystallization-Induced Coordination Diversity of Cu(I)-Pyridine Halide Complexes Resulting in Optical Tunability

, Authors: Mariia Beliaeva, Ondřej Mrózek, Igor O. Koshevoy, Andreas Steffen, Andrey Belyaev
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-30m7x
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Modulation of Charge Transfer in Donor–Acceptor Systems: Effects of Donor Type and Connectivity

, Authors: Christopher Anton Wallerius, Robert Herzhoff, Soyoung Boo, Dirk Hertel, Andreas Mischok, Jörg-Martin Neudörfl, Daniele Fazzi, Malte C. Gather, Klaus Meerholz
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-cvsfs
 
Subject: Chemistry
,
Working Paper
, Title:

Phospholipid Saturation Modulates Cholesterol Partitioning and Heat Transport in Lipid Bilayers under Thermal Gradients

, Authors: Zhibo Deng, Mona W. Qiu, Fionn Carman, John M. Seddon, Fernando Bresme
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-90k69
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-switchable modular γ-C−H functionalization of unbiased aliphatic acids

, Authors: Kartic Manna, Suman Maji, Md Saimuddin Sk, Prabir Manna, Jabir Khan, Srimanta Guin, Yogesh Bairagi, Debabrata Maiti
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-nmb1g
 
Subject: Chemistry
,
Review
, Title:

The need for standardisation and improved open (meta)data practices in metaproteomics

, Authors: Tim Van Den Bossche, Maximilian Wolf, Jean Armengaud, Magnus Arntzen, Dirk Benndorf, Daniel Figeys, Lucia Grenga, Robert Hettich, Nithu Sara John, Pratik Jagtap, Nico Jehmlich, Manuel Kleiner, Benoit J. Kunath, Leyuan Li, Mary Lipton, Bart Mesuere, Benjamin Neely, Zhibin Ning, Ane Laura Pedersen, Yasset Perez-Riverol, Jeena Rajan, Kay Schallert, Jana Seifert, Sergio Uzzau, Pieter Verschaffelt, Paul Wilmes, Juan Antonio Vizcaíno, Lennart Martens, Robert Heyer
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-tm1ms
 
Subject: Chemistry
,
Working Paper
, Title:

Air and water-persistent C-centered radical anion based on FLP-activated CO2

, Authors: Caroline Gonçalves, Agustín Morales, Léon Escomel, Hossam Farouk, Laure Vendier, Antoine Simonneau, Agustí Lledós, Olivier Baslé, sebastien bontemps
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-ht65g
 
Subject: Chemistry
,
Working Paper
, Title:

A Revised Photo-Flow Protocol to Cubane-1,4-Dicarboxylate for Reliable Access to Cuneane Acids

, Authors: Serhiy Ryabukhin, Dmytro Volochnyuk, Olexandr Pashenko, Nazar Hrihoriev, Olexandr Haidai, Svitlana Shishkina
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-3fhx3
 
Subject: Chemistry
,
Working Paper
, Title:

Transmission of autonomous redox-driven directional bond rotation through a molecular gear

, Authors: Theo H N Bulless, Michael G Howlett, Nicholas T O'Donoghue, Matej Zabka, Beatrice S L Collins, Jonathan Clayden
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-hmnb4
 
Subject: Chemistry
,
Working Paper
, Title:

35Cl Nuclear Quadrupole Resonance: a Cl-specific Probe of Local Structural Motifs in PVC

, Authors: Anna Giorgia Nobile, Christophe Copéret
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-6b5f0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Cascade Amidation and C-H Halogenation of Azaindoles

, Authors: Sudipta Ponra, Zoé Peter, Mohammad Waris Sheikh, Lars Eriksson, Oscar Verho
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-7gbc6
 
Subject: Chemistry
,
Working Paper
, Title:

Quenching Single-Fluorophore Systems and the Emergence of Non-linear Stern-Volmer Plots

, Authors: Ronen Zangi
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-5d34t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Site-selective Au(III)-mediated metalloenzyme conjugations

, Authors: Nima Adhami, Michael Rebelo, Pathorn Teptarakulkarn, Sofia Ando, Eileen Olivares, Thomas Goff, Varun Tej Raviprolu, Aldo Munoz, Michael Sawaya, Doyeon Han, Niko Vlahakis, Songrong Qu, Tyler Kerr, Reanne Coutinho, Rachel Loo, Joseph Loo, Hannah Shafaat, Jose Rodriguez, Alexander Spokoyny
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-z5kt1
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Frictional Anisotropy and Wear Resistance via Bioinspired Hybrid Graphene Oxide - Titania Nanopatterned Surfaces

, Authors: Debottam Datta, Enrico Gnecco, J P Singh, Nitya Nand Gosvami
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-89hlh
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Ionomer Polymer Electrolyte Fuel Cells Enabled by Direct Acid Grafting of Pt/C Catalysts

, Authors: Rens Horst, Antoni Forner-Cuenca
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-51kmj
 
Subject: Chemistry
,
Working Paper
, Title:

Inverse Design of Frustrated Lewis Pairs for Direct Catalytic CO2 Hydrogenation: Refining and Expanding Design Rules

, Authors: Shubhajit Das, Ruben Laplaza, Thanapat Worakul, Clémence Corminboeuf
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-439dn
 
Subject: Chemistry
,
Working Paper
, Title:

Stabilizing Ultrathin CsPbBr3 Nanoplatelet Films for Deterministic Strong Light-Matter Coupling

, Authors: Elizabeth Odewale, Isaac Boateng, Aaron Rury
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-xxkv7
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Total Syntheses of Bisleuconothine A and Bousigonine B

, Authors: Hayato Ishikawa, Satoshi Matsumiya, Yukine Mizukami, Akihiro Morita, Kazuma Hirata, Shinya Shiomi, Shota Tominaga, Noriyuki Kogure, Hiromitsu Takayama, Mariko Kitajima
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-1l8pf
 
Subject: Chemistry
,
Review
, Title:

Metalloenzyme-Catalyzed Radical Reactions Unknown or Uncommon in Native Enzymology

, Authors: Wenzhen Fu, Liu-Peng Zhao, Yang Yang
Version undefined posted 04 December 2025
Posted
Dec 04, 2025
10.26434/chemrxiv-2025-qqw3m
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Concentrated but Misaligned: Trends in Voter Agreement on Party Ideology in the United States, 1972–2020

, Authors: Pei-Hsun Hsieh
Version undefined posted 05 December 2025
Posted
Dec 05, 2025
10.33774/apsa-2025-dpb84
 
Subject: Politics and International Relations
,
Working Paper
, Title:

AI World Order: How Artificial Intelligence is Reshaping Global Authority and Legitimacy

, Authors: Rishik Dev
Version undefined posted 05 December 2025
Posted
Dec 05, 2025
10.33774/apsa-2025-30cfd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Engineered coiled-coils convert cholera toxin B-pentamers into programmable membrane fusogens

, Authors: Wenyue Dai, Erik Kempmann, Francesca Rosato, Maria Nikolova, Lina Siukstaite, Tomasz P. Kamiński, Andrew Booth, Maryam S. K. Ishmael, Chunyue Wang, George R. Heath, Paul A. Beales, Ralf P. Richter, Winfried Römer, Michael E. Webb, W. Bruce Turnbull
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-mnsj9
 
Subject: Chemistry
,
Working Paper
, Title:

Recognition of the hybrid G-quadruplex from Tetrahymena thermophila telomeric sequence by the tri-star ligand TrisQO

, Authors: Abdullah Ali, Hannah Swale, Laurent Cattiaux, David Ye, Kailey N. Martin, Liliane Mouawad, Anton Granzhan, Liliya Yatsunyk
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-p7nw4
 
Subject: Chemistry
,
Working Paper
, Title:

Multiplexed Enzymatic Biosensors with On-Chip pH Control for Lactate and pH Monitoring in Calf Saliva Operating Under an IoT Enabled Electronics Interface

, Authors: Md Ridwan Adib, Javier Higes-Marquez, Colm Barrett, Shane O’Sullivan, Marie McFadden, Emer Kennedy, Alan O’Riordan
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-tnpzp
 
Subject: Chemistry
,
Review
, Title:

Multinary Tellurates as Energy Storage Materials

, Authors: Titus Masese, Godwill Kanyolo
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-vl2v0
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Heterotriarylmethanes Catalyzed by Chiral Phosphoric Acid with 5-Aminopyrazole and‌‌ Azadiene

, Authors: Shi-Wu Li, Shujun Tong, Wei Li
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-ggjm8
 
Subject: Chemistry
,
Working Paper
, Title:

Nesting Charge Traps in Nanoporous Photoresponsive Thin Film Enables Molecular Recognition

, Authors: Rajarshi Ghosh, Dipak Maity, Girish Mishra, Bijan Sarkar, Suvendu Panda, Soumya Ghosh, Tharangattu N Narayanan, Ritesh Haldar
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-b9szv
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding the Role of Tin Telluride as Electrochemical CO2 Reduction Catalyst

, Authors: Manisha Samanta, Yannick Weidemann, Liang Yao, Pouya Hosseini, Viola Duppel, Kathrin Küster, Kristina Tschulik, Bettina Lotsch
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-grl0r
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Distance and Angle Between Pliers and Rotors on Helicity Switching: Exploring the Structure-Property Relationship

, Authors: Diptiprava Sahoo, Akanksha Sharma, Anshuman Bera, Vennapusa Sivaranjana Reddy, Soumen De
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-s9l3j
 
Subject: Chemistry
,
Working Paper
, Title:

Reactivity of Ketenyl Anions towards Ammonia

, Authors: Prakash Duari, Mike Jörges, Sunita Mondal, Kai-Stephan Feichtner, Viktoria H. Gessner
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-hxnbb
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical Mechanism Study of C(sp³)−C(sp³) Cross-Coupling by Photoredox-Mediated Iridium(III)/Copper(I) Catalysis

, Authors: Xixi Luo, Bo Zhu
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-351cz
 
Subject: Chemistry
,
Working Paper
, Title:

Receptor Independent Magnetoelectric Nanocarriers for Spatiotemporally Controlled Chemotherapy of Triple Negative Breast Cancer Variants, Ovarian Cancer, and Prostate Cancer

, Authors: Jichong Lyu, Aurelie Brownsberger, Carlie Kudary, Margo Waters, Prakash Nallathamby
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-9brnt
 
Subject: Chemistry
,
Review
, Title:

Multimodal AI for Molecular Visualization, Reaction Understanding, and Material Design

, Authors: Wenhan Qian, Ziqu Shang, Detang Wen, Tongran Fu
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-trz1h
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalization of saturated and unsaturated hydrocarbons with electrophilic anions [B12X11]– (X=Br, I) in the gas phase and at interfaces

, Authors: Markus Rohdenburg, Jaskiran Kaur, Ashley J. Galligan, Aby-Paul Benny, Kay-Antonio Behrend, Xin Ma, Stanislav Petrovskii, Kirill Monakhov, Hilkka I. Kenttämaa, Jonas Warneke
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-dpqqq
 
Subject: Chemistry
,
Review
, Title:

Symmetry Lost, Function Found: A Spectroscopic Perspective on Excited-State Symmetry Breaking

, Authors: Ryan P. McDonnell, Zachary M. Faitz, Harrison J. Esterly, Giulio Cerullo, Austin B. Gilbert, Tommaso Bianconi
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-dl5lw
 
Subject: Chemistry
,
Working Paper
, Title:

A ring polymer molecular dynamics extension of the mapping approach to surface hopping: Incorporation of nuclear quantum effects

, Authors: Ziying Cao, Victor A. Suarez, Joshua S. Kretchmer
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-xps2g
 
Subject: Chemistry
,
Working Paper
, Title:

Incoherent Electronic Energy Migration in Aromatic Amino Acid Lattices Examined By Kinetic Monte Carlo Simulations

, Authors: Amogh Varshney, Aarat Kalra
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-c5n60
 
Subject: Chemistry
,
Working Paper
, Title:

Copper(I)-Catalyzed Asymmetric Inverse-Electron-Demand -Aza-Diels−Alder Reaction of α-Halohydrazones with Styrenes

, Authors: Shi-Wu Li, Wei Li, Jiaojiao Lei, Zhifei Zhao
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-rcqpl
 
Subject: Chemistry
,
Working Paper
, Title:

Particle–Hole Symmetry Breaking in Nitrogen-Decorated Triphenylmethyl Radical Emitters

, Authors: Alessio Graziano Rizzo, Marco Tommaso Barreca, Francesco Di Maiolo
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-p8zcs
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral S(VI) Platform Unifies Selective C–H Amination of Complex Molecules and Alkane Feedstocks

, Authors: Tuan Trinh, Derek Hu, Anna Kenny, Ethan Warrington, Stanislav Cherempei, Jennifer Schomaker
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-fqnk2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Design of Dual-Hydroxyl Promethazine Scaffolds Exhibiting μ-Biased Partial Agonism and Minimal κ Activity

, Authors: Simon Spencer
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-26qds-v2
 
Subject: Chemistry
,
Working Paper
, Title:

HSADab2026: AI-powered Modelling of Human Serum Albumin

, Authors: Lei Zheng, Xiaohui Wang, Huilin Huang, Xiao Liu, Jiayang Leng, Zuo-yuan Zhang, Ruifang Fan, John Zeng Hui Zhang, Zhaoxi Sun
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-mx3fh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Perturbation of Nanoplastics on Biomembranes: Molecular Insights from Neutron Scattering

, Authors: Shuo Qian, Honghai Zhang, Wellington Leite, Andrew Whitten, Piotr Zolnierczuk, Yue Yuan, Qiu Zhang
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2024-mwgqr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Heat flow in solvent–free, dense amorphous and semi–crystalline cellulose derivatives

, Authors: Debashish Mukherji, Tiago Espinosa de Oliveira, Nusrat Chowdhury, David Cahill, Marcus Mueller
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-k6593-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Singlet fission tinkertoys based on N-heterocyclic carbenes: the role of stereoisomerism

, Authors: Joanna Stoycheva, Rumen Lyapchev, Alia Tadjer, Marc de Wergifosse, Julia Romanova
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2022-56571-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Area-Selective Atomic/Molecular Layer Deposition of Europium-Organic Thin Films on Graphene and Other 2D Materials for Photoluminescent Heterostructures

, Authors: Aleksei V. Emelianov, Kamila K. Mentel, Amr Ghazy, Joona Pekkanen, Yu-Han Wang, Andreas Johansson, Maarit Karppinen, Mika Pettersson
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2024-81qv0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tools for Understanding Molecular Orbitals Interactions of Molecules on Surfaces – Density Functional Theory Calculations of H2 Adsorbed on Cu(111) and Pd/Cu(111)

, Authors: Scott Simpson, Devin Mulvey
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-k0znj
 
Subject: Chemistry
,
Working Paper
, Title:

Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization

, Authors: Erik J. Wimmer, Zeki Beydeda, Marc Högler, Nikolaj Wendland, Michael Dyballa, Niels Hansen, Deven P. Estes
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-wrq2f
 
Subject: Chemistry
,
Working Paper
, Title:

Micropatterned DNA Hydrogels for Spatiotemporal Programming of Chemical Reaction Networks

, Authors: Kohei Nishiyama, Piet J. M. Swinkels, Brigitta Dúzs, Weixiang Chen, Andreas Walther
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-223v6
 
Subject: Chemistry
,
Working Paper
, Title:

Fine-Tuning DiffDock-L for Allosteric Kinase Docking

, Authors: Eric Chen, Justin Greene, Yingkai Zhang
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-b8k76
 
Subject: Chemistry
,
Working Paper
, Title:

Practical multigram synthesis of 4- and 5-pyrazolylacetic acids

, Authors: Vitalina Levchenko, Alexandr Andrushko, Volodymyr Stefanishin, Maksym Stambirskyi, Olexandr Otsaliuk, Yurii Dmytriv, Olexandr Pashenko, Serhiy Ryabukhin, Dmytro Volochnyuk
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-8f70b
 
Subject: Chemistry
,
Working Paper
, Title:

Interrogating the Carboxylation of β-Diketonates and β-Diketiminates by Carbon Dioxide

, Authors: Sijing Meng, Ivan Keresztes, Tristan Lambert, Phillip Milner
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-x90fd
 
Subject: Chemistry
,
Working Paper
, Title:

SYNTHESIS AND CHARACTERIZATION OF HETEROCYCLIC N, N’- BIDENTATE LIGANDS AND THEIR TRANSITION METAL (II) COMPLEXES

, Authors: KEVIN NYARANGO OTAO, JOEL MWANGI GICHUMBI, ERIC CHOMBA NJAGI
Version undefined posted 07 December 2025
Posted
Dec 07, 2025
10.26434/chemrxiv-2025-t211l
 
Subject: Chemistry
,
Working Paper
, Title:

Reductive Arylation of PVC by Dual-Metal Catalyzed Cross-Electrophile Coupling

, Authors: Mrityunjay Pandey, Sarah Tuoni, Christo Sevov
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-h8x55
 
Subject: Chemistry
,
Working Paper
, Title:

Selectivity of 3H-Azepines: The Role of Substituent-Dependent Excited-State Deactivation Pathways

, Authors: Cristian J. Guerra, Leandro Ayarde-Henríquez, Patricia Pérez, Eduardo Chamorro, Jorge Soto-Delgado, Jorge Nader-Bastidas, Yeray A. Rodriguez-Nuñez
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-wcndk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Solid State Synthesis Parameters on Indium-Tin-Copper-Zinc Medium Entropy Oxides

, Authors: Alexander Ziff, Luotong Lin, Zhaofu Chen, Holly Shafer, Huiming Guo, William Bowman
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-69v81
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Correlated High-Resolution Operando 4D Neutron and X-ray Imaging for Solid-State Batteries

, Authors: Robert Scott Young, Matthew Peter Jones, Paul Naillou, Ji Hu, Aimilios Davlantis Lo, Lukas Helfen, Winfried Kockelmann, Alexander Rettie, John Rhod Jervis
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-gbmnz
 
Subject: Chemistry
,
Working Paper
, Title:

A gas-solid hydride ion battery

, Authors: Shangshang Wang, Weijin Zhang, Liping Yang, Jirong Cui, Shukun Liu, Haiyu Deng, Ren Zou, Hetong Chen, Yawei Wang, Hujun Cao, Wanjun Li, Rui Cai, Ping Chen
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-p3rxb
 
Subject: Chemistry
,
Working Paper
, Title:

AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry

, Authors: Bhupalee Kalita, Roman Zubatyuk, Dylan M. Anstine, Maike Bergeler, Volker Settels, Conrad Stork, Sebastian Spicher, Olexandr Isayev
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-kdg6n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

SPOT-Based Ultrasensitive Visual Detection of Microbial Chitinolytic Activity Using a Nanofibrous N-Acetylchitosan Hydrogel

, Authors: Mikiko Tsudome, Mikako Tachioka, Atsushi Baba, Masayuki Miyazaki, Akihiko Nakamura, Kazunori Nagaki, Nemuri Todaka, Yasunori Kurosawa, Shigeru Deguchi
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-ctlbv
 
Subject: Chemistry
,
Working Paper
, Title:

Trap-Engineered Persistent Charge Carriers and Photostimulated Readout in Organic Materials

, Authors: Dmitry Kovalevskiy, Kirill Mitrofanov, Liliia Moshniaha, Yemineni S. L. V. Narayana, Kaede Kawaguchi, Ryota Kabe
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-mj5lh
 
Subject: Chemistry
,
Working Paper
, Title:

Dimensional Reduction of Perovskite-Derived Structures in Formamidinium-Rich Lead Iodide Compositions

, Authors: Takuya Ohmi, Wataru Taniguchi, Bhawna Bhawna, Tomoya Fukui, Yuki Haruta, Takayuki Nakanishi, Takanori Fukushima, Makhsud. I. Saidaminov, Masaki Azuma, Takafumi Yamamoto
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-w39ww-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive ionic moieties for electrolyte structural design

, Authors: Oliver Hammond, Guillaume Bousrez, Stuart Brown, Sichao Li, Daniel Morris, Serena Cozzolino, Manishkumar Shimpi, Liliana de Campo, Andrew Whitten, Alexei Vorobiev, Andrew Nelson, Jason Harper, Anja-Verena Mudring, Oleg Antzutkin, Sergei Glavatskih, Mark Rutland
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-10kr6
 
Subject: Chemistry
,
Working Paper
, Title:

Topological engineering of chiral anomalies in Janus nanoribbons

, Authors: Vasil Saroka, Victor Demin, Michele Pizzochero
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-tmvpw
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of protein-glycosaminoglycan interactions in ff14sb/GLYCAM06j and CHARMM36m force fields

, Authors: Krzysztof Bojarski, Patryk Wesołowski, Diksha Dewan, Łukasz Dziadek, Vilmos Neuman, Bernard Brooks, Jacek Czub, Martin Zacharias, Adam Sieradzan, David Wales
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-fl9pf
 
Subject: Chemistry
,
Working Paper
, Title:

From Biological Inspiration to Molecular Engineering: Carboxylate-Enhanced NDI Fluorophores for Mercury Sensing

, Authors: Vishakha Chauhan, Aman Thakur, Prosenjit Ghosh, Praveen C Ramamurthy
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-qkxcp
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking 3D Electron Diffraction Strategies for Ceramics

, Authors: Yann Schmitt, Sergi Plana-Ruiz, Yaşar Krysiak
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-4fmbm
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-property relationship in cubic Zr7Ru6+хGa17-x (0 ≤ x ≤ 2.0): disorder, electrical transport and bonding

, Authors: Volodymyr Babizhetskyy, Oksana Myakush, Bogdan Kotur, Volodymyr Smetana, Jürgen Köhler, Reinhard Kremer, Gerd Meyer, Anja-Verena Mudring
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-hk047
 
Subject: Chemistry
,
Working Paper
, Title:

Lyophilised colourimetric LAMP for visual readout with dual colour indicators

, Authors: Kenny Malpartida-Cardenas, Oliver W. Stringer, Matthew L. Cavuto, Alison Holmes, Jesus Rodriguez-Manzano
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-5wxq2
 
Subject: Chemistry
,
Working Paper
, Title:

Diversity of non-designed, non-evolved, de novo-like enzyme activities in proteins

, Authors: Luis Gutierrez-Rus, Valeria Risso, Jose Manuel Sanchez-Ruiz
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-zl37p
 
Subject: Chemistry
,
Review
, Title:

Mapping Ab Initio Physical Theories to Computational Chemistry Methods: The Contributions of Classical Mechanics, Thermodynamics and Statistical Mechanics, Electromagnetism, Relativity, Quantum Mechanics, and Quantum Field Theory

, Authors: Chengze Yang
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-n0c01-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical Analysis of Bivalent Binding Avidity and Kinetics: Implications for DNA-Encoded Libraries

, Authors: Richard, R. Edward, Eray Watts, Boris Belotserkovskii
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-k5fc7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

First Principles Molecular Dynamics Simulations of Ammonia Adsorption onto MFI Zeolite Nanosheets

, Authors: Ramanish Singh, Nathan Wang, Henry Wolters, Prerna Prerna, Michael Tsapatsis, J. Ilja Siepmann, Daniela Kohen
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-x74kh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of Salt Concentration on Electrochemical Stability in Li-ion Battery Electrolytes

, Authors: Conor Phelan, Arihant Bhandari, Jasper Singh, Michael Fraser, Erik Björklund, Jack Swallow, Peter Bencok, Clare Grey, Zachary Goodwin, Chris Skylaris, Robert Weatherup
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-k903g
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular foundation models for predicting self-assembly in aqueous mixtures

, Authors: Hao Liu, Christelle Ekosso, Avery Glagovich, Sarah Maurer, Joshua Schrier
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-zs65x
 
Subject: Chemistry
,
Working Paper
, Title:

RNA phase separation with Martini 3

, Authors: Qin Zhang, Mariana Valério, Linus Grünewald, Luís Borges-Araújo, Fabian Grünewald, Shaomeng Wang, Siewert J. Marrink, Yubin Gong, Paulo Cesar Telles de Souza
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-ggcq2
 
Subject: Chemistry
,
Working Paper
, Title:

Second Harmonic Generation Electric Field Triplet Interferometry for Absolute Phasing

, Authors: Franz Geiger, Raiden Speelman, Nicole Gonzalez, Camille Bridgewater
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-d3pk2
 
Subject: Chemistry
,
Review
, Title:

Collective Effects in Polariton Chemistry and Photophysics

, Authors: Wenxiang Ying, M. Elious Mondal, Eric R. Koessler, Sebastian Montillo Vega, Pengfei Huo
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-x1smr
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Access to Primary Amines via Electrophilic Amination of Organozinc Pivalates with Amino-λ³-Iodanes

, Authors: M. Manuel B. Marques, Stefan Bräse, José Cunha, Gabriel Rocha, Pedro M. P. Gois, Fábio Santos
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-18vmh
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

General Quantum Spacetime Relativity: Unification of Special Relativity, General Relativity, and Quantum Mechanics via the LLG Framework

, Authors: shifa liu
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-ww5h8
 
Subject: Engineering
,
Working Paper
, Title:

Modelling the Energy-Transport-Land Nexus: A CLEWs-Based Assessment on Renewable Energy Pathways in Lao PDR

, Authors: Syaza Nadya Felia, Kavya Abeysundara, Fernando Plazas-Niño, Mark Howells
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-gwrc7
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Frequency of Real-Time Actualisation via Metastable Entropy (FRAME): A Collapse-Based Interpretation of the Speed of Light as the Universal Refresh Rate of Classical Reality

, Authors: Waldemar Feldt
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-tmhw1
 
Subject: Mathematics
,
Working Paper
, Title:

A rigorous proof of the Riemann hypothesis

, Authors: Yukitaka Abe
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2022-d3nj5-v20
 
Subject: Mathematics
,
Working Paper
, Title:

Cyclic Subgroups of Multicomplex n-th Roots of Unity

, Authors: JOGENDRA KUMAR
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-6qnf1
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Spin, Planck 's constant h and constant G .

, Authors: Valeriy Dudarev
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-5j9fn-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Structural Asymmetry and Rigidity of Bounded Solutions for a Parametrized Complex Linear Differential Equation

, Authors: Walid OUKIL
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-97vw5-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A Relational Stability Reformulation of the N-Body Problem Through the ∆E Field of the Relative Cosmic Equilibrium (RCE) Theory

, Authors: Azeddine Ennabati
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-6824v
 
Subject: Mathematics
,
Working Paper
, Title:

Conjugation and Moduli in Tricomplex Numbers

, Authors: JOGENDRA KUMAR
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-d6w15
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A New Explanation for the Result of Michelson-Morley Experiment

, Authors: Abolfazl Soltani
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.33774/coe-2025-bsfh2-v12
 
Subject: Chemistry
,
Working Paper
, Title:

An Analysis of a Multi-Mineral Neutralization Composition Across Diverse Liquid Matrices

, Authors: DARRELL DAVIS, Wyndel Davis
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-v33bh
 
Subject: Chemistry
,
Working Paper
, Title:

A new beginning in Molecular Imprinting: Revealing Key Experimental Variables Shaping the Mechanochemical Synthesis of Molecularly Imprinted Polymers

, Authors: Andreea Elena Bodoki, Bogdan-Cezar Iacob, Raluca Gog, Sonia Iurian, Lucian Barbu-Tudoran, Ede Bodoki
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-r6v22
 
Subject: Chemistry
,
Working Paper
, Title:

Room Temperature Phosphorescence from a Benzothiophene-based N-B-N Multi-Resonance Core

, Authors: Durai Karthik, Abhishek Kumar Gupta, Eli Zysman-Colman
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-n0l7j
 
Subject: Chemistry
,
Working Paper
, Title:

Heuristic Scheduling Strategies for Single-Reactor Pharmaceutical Batch Production Under Uncertainty: A Comparative Statistical and Machine Learning Analysis.

, Authors: Anfal Rababah
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-wq0tr
 
Subject: Chemistry
,
Working Paper
, Title:

Validated Reactive Force Field Quantifies MXene Interfacial Properties, Mechanics, and Thermal Transport

, Authors: Isaac Armstrong, Joseph Slocik, Leo Beck, Dhriti Nepal, Cheng Zhu, Vikas Varshney, Hendrik Heinz
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-212s7
 
Subject: Chemistry
,
Working Paper
, Title:

3,6-Difunctionalized Bicyclo[3.2.0]heptanes – Promising Cycloalkane/Benzene Isosteres

, Authors: Serhii Yu. Lukyanenko, Danylo A. Nosyk, Dmytro S. Granat, Andrii V. Kozytskyi, Oleksandr O. Yurchenko, Oleksandr Pokholenko, Alexey V. Dobrydnev, Oleksandr Grygorenko
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-zhhxk
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Synthesis of 2,4-Disubstituted Homocubanes as meta-Benzene Bioisosteres

, Authors: Louis Modell, Jonathan Moore, Quentin Lefebvre, Hon Wai Lam
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-077c0
 
Subject: Chemistry
,
Review
, Title:

Progress and Challenges in Sodium-Ion Battery Anodes: Mechanisms, Materials, and Design Strategies

, Authors: Ali Khan, Aniza Shahbaz
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-g8tsp
 
Subject: Chemistry
,
Working Paper
, Title:

Isomerization and Dimerization of 1-Phenylpropyne upon Meta-lation with Alkyl Lithium Bases and Lewis Basic Polyamine Donors

, Authors: Mikaël Le Roch, Aurélien Crochet, Andreu Tortajada
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-nzmdm
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamics of Surfactant-Functionalized Nanoparticle Assembly during Bicontinuous Particle-Stabilized Emulsion Formation

, Authors: Meyer T. Alting, Dominique Thies-Weesie, Andrei Petukhov, Martin F. Haase
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-z5jxh
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts

, Authors: Koushani Kundu, Severin Haid, Patrick Probst, Laura Stöhr, Philipp Hauser, Wolfgang Frey, Johannes Kästner, Michael Buchmeiser
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-cvsmh
 
Subject: Chemistry
,
Working Paper
, Title:

Correlation Between Ion Pairing and Cation Effects in Electrocatalytic CO2 Reduction at a Heterogenized Molecular Molybdenum Catalyst

, Authors: Scott Bowers, Minyang Yin, Yutong Ding, Liang-shi Li
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-s71g5
 
Subject: Chemistry
,
Working Paper
, Title:

Contrasting Fates: pH Dynamics as the Master Variable in Pharmaceutical Sorption on Biochar

, Authors: Martina Dlasková, Pavel Dytrych, Radek Fajgar, Markéta Spáčilová, Věra Jandová, Olga Šolcová
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-7qsx8
 
Subject: Chemistry
,
Working Paper
, Title:

Pinpointing non-covalent lipid binding sites in membrane proteins via native top-down mass spectrometry

, Authors: Kanchan Pathak, Delaynie Brinkman, Sara Walters, Gustavo Perrotti, Brian Fuglestad, Fabio Gomes
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-bmf0q
 
Subject: Chemistry
,
Review
, Title:

Obsolescence of the aromaticity idea?

, Authors: Paolo Lazzeretti
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-g4p4d
 
Subject: Chemistry
,
Working Paper
, Title:

Metagenomic assessment of full-scale wastewater treatment plants identifies sentinel antibiotic resistance gene families for monitoring reclaimed wastewater and treated sludge.

, Authors: Jessica Subirats, Liam Brown, Anna Marizzi, Carles M. Borrego, Giulia Gionchetta, Zhengzheng Zhao, Rodrigo Carnerio, Pablo Gago-Ferrero, Victor Matamoros
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-zfgp3
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations

, Authors: Juan Carlos Jiménez García, Nicoll Zeballos, Fernando López-Gallego, Xabier López, David De Sancho
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-3vlzr
 
Subject: Chemistry
,
Working Paper
, Title:

Learning to Generalize: Deep Models and Robust Benchmarks for Drug–Target Affinity Prediction

, Authors: Agaaz Bansal, Milendra Kumar Turkar, Raghvendra Mall, Sudipta K Sinha, Sukrit Gupta
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-gmrdb
 
Subject: Chemistry
,
Working Paper
, Title:

Generalized Molecular Property Imputation Using a Flexible Transformer Architecture

, Authors: Andrew Schofield, Tianfan Jin, Ericka Miller, Brett Savoie
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-ztp34
 
Subject: Chemistry
,
Working Paper
, Title:

1,4-Conjugate Addition to α-Fluoronitroalkenes Drives the Formation of Stable Fluorinated Hydrazones

, Authors: Mattew Saucier, Hamdan Alrefaei, Peggy McCluggage, Mohammed Abd El-Gaber, Tzu-Yu Huang, Sampad Jana, Sudeshna Roy
Version undefined posted 08 December 2025
Posted
Dec 08, 2025
10.26434/chemrxiv-2025-r60f7
 
Subject: Chemistry
,
Working Paper
, Title:

A Possible Path Toward Profitable Carbon Removal: A Techno-Economic Analysis on Combined Ocean Alkalinity Enhancement and Waste Concrete Upcycling

, Authors: Shijian Jin, Anna Lee Tonkovich, Cristian Rodriguez Martinez, Christopher E. Davis, Michael D. Tyka, Ray A. Nagatani, Christopher Van Arsdale, Antonio R. Papania-Davis
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-gf8r3
 
Subject: Chemistry
,
Working Paper
, Title:

Lipid assembly on a polyphenyllactate droplet surface to form a hybrid protocell

, Authors: Niannian Ding, Xu Han, Chen Chen, Tatsuya Shinoda, Mahendran Sithamparam, Navaniswaran Tharumen, Wancheng Zhang, Rehana Afrin, I Tang, Kuhan Chandru, Anna Wang, Kosuke Fujishima, Yizhi Sheng, Hailiang Dong, Tomoaki Matsuura, Tony Z Jia
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-l8dvx
 
Subject: Chemistry
,
Working Paper
, Title:

Measuring Activation and Termination of Reverse-Blocking-Order PET-RAFT Chain Extension Polymerizations

, Authors: Morgan Gunter, Jared G. Baker, Stephen J. Koehler, C. Adrian Figg
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-t1cdr
 
Subject: Chemistry
,
Working Paper
, Title:

Reusing of Alkaline Red Mud as Self-supplied Electrolyte and Positive Active Material for Aqueous Supercapacitors

, Authors: Yuzhuo Hu, Yujing Guo, Mengxuan Zhang, Huawei Zhou
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-c11bz
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Mediated Aryl Ketone Coupling with Vinyl Thianthrenium Salts Enables Formal Paternò-Büchi Reaction.

, Authors: Corinna Schindler, Stephen Chamness, Matthew Liu, Joseph Erdei, Toni Weise
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-0kdn2
 
Subject: Chemistry
,
Working Paper
, Title:

Organopotassium for Selective Synthesis: Potassium-Mediated anti-Borylfunctionalization of Alkynes

, Authors: Hideki Yorimitsu, Takashi Kurogi, Ziwei Zhang
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-j4kwv
 
Subject: Chemistry
,
Working Paper
, Title:

Free Energy Landscapes of Host-Guest Binding from Adaptive Bias Enhanced Sampling

, Authors: Revanth Elangovan, Dhiman Ray
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-pd3s8
 
Subject: Chemistry
,
Working Paper
, Title:

An Electrochemical Approach to Peptide Linker Synthesis for Drug Conjugate Development

, Authors: Yutong Lin, Dhanya Karipal Padinjare Veedu, Alexandra Du, May Kong, Michael Hayes, Si-Jie Chen, Meghan Baker, Lara Malins
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-jl7g6
 
Subject: Chemistry
,
Working Paper
, Title:

CDI Mediates Mild and One-Pot Syntheses of 4H-1,3-Benzoxazinones

, Authors: Madrid Ghanavat, Sophia Gonzalez, Stephen Heller
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-b48p7
 
Subject: Chemistry
,
Working Paper
, Title:

Navigating high-dimensional processing parameters in organic photovoltaics via a multi-tier machine learning framework

, Authors: Yaping Wen, Yipu Zhang, Haibo Ma
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-bhjz6
 
Subject: Chemistry
,
Working Paper
, Title:

Routine Direct Quantification of Methacrylic Groups per Gelatin Unit in Gelatin Methacryloyl (GelMA) Using UV Spectroscopy

, Authors: Nazar Rad, Marta Klak, Michał Wszoła, Sylwester Domański
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-rbbvg
 
Subject: Chemistry
,
Working Paper
, Title:

How Many Kelvins are Equivalent to One Electron Volt: An Investigation of Unit Conversion in Catalysis

, Authors: Yecheng Leng, Zhu Xi
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-d5ssm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

FePTP: A text-mined dataset of transformation pathways among iron-containing phases

, Authors: Le Lin, Changhai Ren, Yang Xiao, Jingyu Nie, Chongchong Qi, Xiaoqin Li, Han Wang, Zhang Lin
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-5t3s1
 
Subject: Chemistry
,
Working Paper
, Title:

DSKO: dancing through DFTB parameterization

, Authors: Artem Samtsevych, Yihua Song, Tammo van der Heide, Balint Aradi, Benjamin Hourahine, Reinhard Maurer, Karsten Reuter, Christoph Scheurer, Chiara Panosetti
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-4cmx9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Emergence of Anisotropic Subcompartments via Co-Assembly of Hierarchically Ordered G-Quadruplexes and Dynamic Polylysine in Droplet-Based Compartments

, Authors: Hiroka Sugai, Shunsuke Tomita, Mariko Toyoda, Kota Watanuki, Mao Fukuyama, Takashi Kajitani, Kazushi Kinbara
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-xh4zs
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoselective Polymerization of 2-(Acryloyloxy)ethyl Methacrylate Enabled by B(C6F5)3-Stabilized s-cis and s-trans Monomer Conformations

, Authors: Masatoshi Deshimaru, Mikihiro Hayashi, Yoshihito Inai, Shin-ichi Matsuoka
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-t30sp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical ligation of backbone N-hydroxylated peptides

, Authors: Natalia Cano-Sampaio, Juan R. Del Valle
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-f8w47
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Density Functional Theory for Non-Covalent Interactions in Charged Systems

, Authors: Heng Zhao, Balázs Lőrincz, Tobias Henkes, Dénes Berta, Péter Nagy, Alexandre Tkatchenko, Stefan Vuckovic
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-jx112-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand Fluxionality in a Coordinatively Saturated Iron Complex Enables Selective Electrocatalytic Reduction of CO2 to Formate

, Authors: Ayan Santra, Piyali Mahapatra, Prateek Saini, Srinivasan Ramakrishnan
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-gr01x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes through FIB-SEM Characterization, Manufacturing and Electrochemical Modeling

, Authors: Soorya Saravanan, Imelda Cardenas Sierra, Pei Sun, Hari Raj, Daniele Duranti, Mahnoor Nafees, Edoardo Rossi, Marco Sebastiani, Paul Vigneaux, Martin Petit, Maxime Moreaud, Francisco Fernandez, Alejandro A. Franco
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-85sxc
 
Subject: Chemistry
,
Working Paper
, Title:

Direct α-C–H Heteroarylation of Unprotected Primary Amines

, Authors: George D. Johnson, Stephanie A. Corio, James D. Grayson, Joshua D. Tibbetts, George Ballantyne, Qiao Cao, Hannah E. Askey, Joseph J. Bell-Tyrer, Oleksandr Datsenko, Mark A. Graham, Pavel K. Mykhailiuk, Jennifer S. Hirschi, Alexander Cresswell
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-q5jr2
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Eudesmanolides Alantolactone, Isoalantodiene, Alloalantolactone, and 5α,6α-Epoxyalantolactone

, Authors: Julio Manuel Larach, Justin D DeBow, Sarosh Abraham, Anthony J Stevens, Emil R. Dominguez III, Veronica Carta, Kevin GM Kou
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-694w3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Breaking Chemoresistance in Colorectal Cancer by Targeting Metabolic Plasticity with Palladium Acyclic Diaminocarbene Complexes

, Authors: Mikhail A. Kinzhalov, Andrey А. Karchevskiy, Tatiyana V. Serebryanskaya, Olga O. Gnedina, Maria V. Igotti, Andrey V. Kulsha, Oleg A. Ivashkevich, Ksenija Fedotova, Alisa Morshneva, Alexander Kukushkin
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-bw9b7
 
Subject: Chemistry
,
Working Paper
, Title:

Immersion Freezing Efficiency of ZnAl2O4 and MgAl2O4 Spinels, ZnO, and MgO: The Role of Oxygen Vacancies

, Authors: Ryan Mitch, Ayat Tassanov, Brendan Troesch, Mikyung Hwang, Nathan Baumann, Konstantinos Alexopoulos, James Hodges, Miriam Freedman
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-2xm3p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Silver Exchange Dynamics in Monolayer-Protected Doped Gold Clusters

, Authors: Jesse Delmage, Irina Paci
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-stbnz
 
Subject: Chemistry
,
Working Paper
, Title:

Adsorption of Ionic Liquids in Micro-/Mesoporous Silica studied by Small-Angle X-ray Scattering

, Authors: Nadine Schnabel, Felix Ziegler, Michael R. Buchmeiser, Thomas Sottmann
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-f8m68
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive, Bayesian experimental design to efficiently determine the critical micelle concentration of a surfactant

, Authors: Makaila Hammond, Qia Ke, Aryan Deshwal, Cory Simon, Alison Bain
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-72q6h
 
Subject: Chemistry
,
Working Paper
, Title:

A Semi-Empirical Orbital-Free DFT Approach for Modeling Partial Charges and Interaction Energies

, Authors: José Romero, Orlando Romero, Thana Maihom, Paulo Limão-Vieira, Kersti Hermansson, Michael Probst
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-sj2j7
 
Subject: Film, Media, Mass Communication
,
Working Paper
, Title:

Role of Electronic Media in Cultivating a Culture of Peace in Nepali Society

, Authors: Bimal Prasad Gautam
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.33774/coe-2025-sgl6j
 
Subject: Chemistry
,
Working Paper
, Title:

C3 Stereogenic- or Quaternary- Carbon Quinolones via Heteroaromatic Claisen Rearrangement

, Authors: Akash Gogate, Morgane Mando, Andrew McCabe, Geeta Kumari, Pallavi Singh, Alexandra Ramirez, Choukri Ben Mamoun, Alexander Grenning
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-lbgvh
 
Subject: Chemistry
,
Working Paper
, Title:

Equilibrium and Non-Equilibrium Effects in High Pressure Phase Transformations of Carbon

, Authors: Yanjun Lyu, Sorin Bastea, Sebastien Hamel, Vincenzo Lordi, Rebecca Lindsey
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-x00vj
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Janus Face of the State: The Dialectic of Sacrifice Versus Personal Gain and Electoral Conflict in Kenya (1991-2022)

, Authors: Ouma Peter Odhiambo
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.33774/apsa-2025-gt9xc
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of the robustness of Rayleigh optical activity for the assignment of absolute configurations of chiral molecules

, Authors: Andrew Puente, Duncan McArthur, Emmanouil Alexakis, Lewis McKenzie, Robert Cameron, Laurence Barron, Prasad Polavarapu
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-r972r
 
Subject: Chemistry
,
Working Paper
, Title:

Direct-inject suppressed ion chromatography-mass spectrometry method with online preconcentration for short- and ultra short-chain perfluoroalkyl carboxylic acids in fresh water

, Authors: Jessica Clouthier, Trevor Vandenboer, Cora Young
Version undefined posted 09 December 2025
Posted
Dec 09, 2025
10.26434/chemrxiv-2025-610m7
 
Subject: Chemistry
,
Working Paper
, Title:

Vanadium–Cobalt O≡VCo3O4 Oxo Cubanes from V/Co Redox Exchange

, Authors: Thomas Alexander Wheeler, Vincent John Pershing Maddi, Robert Allan Carter, T. Don Tilley
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-x9tpb
 
Subject: Chemistry
,
Working Paper
, Title:

Solvent-Free/Scalable Mechanochemical-Assisted Addition of Phosphine Oxides to Aldehydes: Sustainable Protocol for One-Pot Tandem P-C Bond Formation

, Authors: Marcos López-Aguilar, Javier F. Reynes, Luciana Cicco, alba Suárez-Fernández, VIto Capriati, Alejandro Presa Soto, Felipe García, Joaquín García-Álvarez
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-pjbfr
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Pharmacokinetic Persistence of Functional Agents Through Next-Generation Sustained-Release Formulations

, Authors: joonggwon kim
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-2jq7b
 
Subject: Chemistry
,
Working Paper
, Title:

Comparative transcriptomic analysis among MRSA strains reveals a brominated carbazole disrupts translation and biosynthesis of cell walls, amino acids, and nucleotides to potentiate oxacillin.

, Authors: Colin Phoebe, Chase Dillon, Maggy Henkel, Lauren Vossen, Robin Stempel, Halie Balogh, Edward Fuselier, Meghan Blackledge, Heather Miller
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-qz1c5
 
Subject: Chemistry
,
Working Paper
, Title:

Betti Chemistry as a Toolkit for Cyclization of Peptides and Generation of Bioactive Macrocycles

, Authors: Hang Zhang, Bo Li, Xiaodi Wang, Yanan Ma, Ke Li, Xin Wen, Di Wu, Mingwei Zhang, Shuaiming Wang, Han Wang, Cai Li, Jiayu Han, Yibo Xu, Fan Guo, Yufan Zheng, Huifang Xie, Haiwei Xu
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-z4zb5
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Learning Framework for Accurate Prediction and High-Throughput Search of the Thermoelectric Figure of Merit in Skutterudites

, Authors: Victor Posligua, Karina Landivar, Elena Remesal, Gerda Rogl, Peter Rogl, Javier Fdez. Sanz, Jesus Prado-Gonjal, Antonio M. Marquez, Jose J. Plata
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-77vg1
 
Subject: Chemistry
,
Working Paper
, Title:

Design and optimization of a low frequency near-infrared Raman microscope for liquid and solid-state sample analysis

, Authors: Sevan Menachekanian, Brianna Garcia, Timothy Corcoran
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-w667z
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoenzymatic synthesis of (E,E,Z)-humulene derived natural products

, Authors: Anthony Saucedo, Brian Valladares, David Delgadillo, Hosea Neslon, Alison Narayan
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-g158n
 
Subject: Chemistry
,
Working Paper
, Title:

Triply Convergent Cross-Coupling of Aryl Halides, Aryl Boronic Acids, and Aryl Carbenes: Regulation of Transmetalation Timing by a Copper Co-Catalyst

, Authors: Yifan Ping, Shijia Li, Zihang Deng, Jianhan Zhou, Peng Liu, Richard Liu
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-wxsf2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Origin of Photodegradation and Impurity Effects in Donor–Acceptor Luminescent Radicals

, Authors: Takuya Hosokai, Wataru Ota, Kenshiro Matsuda, Hikaru Ishii, Amane Niwa, Yasuo Nakayama, Keisuke Nakamura, Daiki Asakawa, Emiko Fujiwara, Tohru Sato, Ken Albrecht
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-3v9fg
 
Subject: Chemistry
,
Review
, Title:

Between Overlook and Oversight: Misconceptions in Concentration for Battery Electrolyte

, Authors: Jinkwang Hwang, Di Wang, Kazuhiko Matsumoto
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-7wh9x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Quadrupolar Fullerene Model System for Benchmarking Enhanced Sampling of Trapped Waters in Free Energy Calculations

, Authors: Swapnil Wagle, David Mobley
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-m0dlv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors

, Authors: Ryan Snyder, Dongru Li, Tinh Ho, Bryant Kim, Hysum Qazi, Xiaoliang Pan, Yihan Shao, Jingzhi Pu
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-hg8n7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

ARCADE: A New Paradigm for a Fully Automated and Interpretable Design of Complex Catalysts

, Authors: Jianzhuo Wu, Xue Jia, Yongfeng Guo, Honglin Li, Yu Li, Yuhang Wang, Jialu Li, Guangsheng Liu, Yufei Ding, Hao Li, Wan-Lu Li
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-prkkd
 
Subject: Chemistry
,
Working Paper
, Title:

Internalization of Antibiotics by the Multi-Resistant Bacteria Acinetobacter baumannii through the CarO Outer Membrane Porin.

, Authors: Florent Barbault, Antonio Monari
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-vgh6n
 
Subject: Chemistry
,
Working Paper
, Title:

High Brightness in Bis(tri-isopropylsilyl)ethynyl-Functionalized Polycyclic Aromatic Hydrocarbons: Localized Representation Versus Clar’s Model

, Authors: Kais Dhbaibi, Huong Le thi, Jérôme Marrot, Masashiro Hayakawa, Masashi Mamada, Michel Frigoli
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-jxf1j
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Artificial Thylakoids: Charge Transfer in Polydopamine Nanosheets for Photocatalytic Hydrogen Production

, Authors: Tilmann Herberger, Matay Kaplan, Marcel Boecker, Julian Kund, Sean Harvey, Lothar Veith, Mathias Micheel, Christof Neumann, Andrey Turchanin, Christine Kranz, Tanja Weil, Christopher Synatschke, Vincent Ball, Maria Wächtler
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-gh50b
 
Subject: Chemistry
,
Working Paper
, Title:

Informed Solid-state Electrochemical Cell Design for Operando X-ray Characterisation

, Authors: R. S. Young, J. Hu, N. R. H. Popp, F. Iacoviello, A. R. T. Morrison, S. Dawes, P. P. Paul, M. Di Michiel, A. J. E. Rettie, J. R. Jervis
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-xvs4k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stability of Information-Carrying DNA Origami Nanostructures During Repeated Freeze–Thaw Cycles

, Authors: Xinyang Li, Lukas Rabbe, Jacqueline Linneweber, Guido Grundmeier, Adrian Keller
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-20z7l
 
Subject: Chemistry
,
Working Paper
, Title:

Two-Photon Responsive Amphiphilic Photoswitches as Molecular Modulators of Lipid Order and Curvature

, Authors: Aline Makhloutah, Jérémy Pecourneau, Cédric Mittelheisser, Anastasiia Delova, Ibrahim Abdellah, Stéphane Parant, Maxime Mourer, Yann Bernhard, Antonio Monari, Motomu tanaka, Andréea Pasc
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-n43db
 
Subject: Chemistry
,
Working Paper
, Title:

Uncovering Redox-Specific Biotransformation of Organic Micropollutants

, Authors: Alessia Ore, Rick Helmus, Annemarie P. van Wezel, Nora B. Sutton
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-cw8jh
 
Subject: Chemistry
,
Working Paper
, Title:

Partial Dewetting and Labyrinthine Pattern Formation on Polystyrene Films Immersed in Ternary Solvent Mixtures

, Authors: Sachin Kumar Sharma, Saurabh Dubey, Mohd Najmus Saquib, Srijita De, Arijit Mohanta, Shamsuzzaman Suman, Dipankar Bandyopadhyay
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-t669t
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design of Transition Metal Based Molecular Spin State Switches: Tuning the High Spin to Low Spin Transition Rate by Ligand Substitution

, Authors: György Vankó, Andor Vancza, Dániel Buzsáki, Mariann Papp, Gábor Bazsó, Éva G. Bajnóczi, Csilla Bogdán, László Varga, Attila Domján, Zoltán Németh, Éva Kováts, Mátyás Pápai, Tamás Rozgonyi, Tamás Keszthelyi
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2024-ll7pm-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A linear response GOSTSHYP/COSMO framework for excited states in high pressure environments

, Authors: Ansgar Pausch
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-d3z4k
 
Subject: Chemistry
,
Working Paper
, Title:

Operando Microscopy of Photosynthetic Microbial Biohybrids using Fluorescent Chemical Probes

, Authors: Leanne A. Milburn, Evan I. Wroe, Mairi Eyres, Joshua M. Lawrence, Jenny Z. Zhang
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-z66td
 
Subject: Chemistry
,
Working Paper
, Title:

Origin and Manipulation of the Orientation of Colloidal 2D Nanoplatelets in Electrospun Fibers

, Authors: Fuzhao Li, Xu Liu, Lars Klepzig, Dominik Rudolph, Peter Jomo Walla, Jannika Lauth, Henning Menzel
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-dn0gx-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Molecular Responses of Polymers during Extreme Events from Captured Hypervelocity Impact Debris

, Authors: Kyle Callahan, William Heard, Santanu Kundu
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-8dqbk
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorosequencing without terminal residue cleavage

, Authors: G Sampath
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-v4cnk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Designing an Artificial Metalloenzyme for Re-based CO2 Photoreduction

, Authors: Pujan Ajmera, Liam Farley, Natalie Minnetian, Ryan King, Hiran Jayasekara, Shobhit Chaturvedi, Jenny Yang, Anastassia Alexandrova, Tomislav Rovis
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-mhw1f
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying Phase Transitions in Zeolitic Imidazolate Frameworks: Microscopic Insight from Molecular Simulations

, Authors: Léna Triestram, François-Xavier Coudert
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-71lb4
 
Subject: Chemistry
,
Working Paper
, Title:

High-Loading UiO-66@Polycaprolactone Electrospun Nanofibers for Equilibrium-Driven Removal of Perfluorooctanoic Acid from Water

, Authors: Giuseppe Di Palma, Linus A. Wramage, Ana C. Loureiro Mendes, Ioannis S. Chronakis, Joerg R. Jinschek
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-m2pcq
 
Subject: Chemistry
,
Working Paper
, Title:

Lithium isotope fractionation as an early indicator of degradation mechanisms in lithium-ion batteries

, Authors: Dalia Morcillo, Marcus Oelze, Pranav Seena Prem, Ana Guilherme Buzanich, Franziska Emmerling, Sebastian Recknagel, Ulrich Panne, Carlos Abad
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-16lvq
 
Subject: Chemistry
,
Working Paper
, Title:

Bayesian Calibration of HEOS Mixing Models and Impact on Thermodynamic Cycles

, Authors: Leonard Schnelting, Benedikt G. Bederna, Gabriele Raabe, Ulrich Römer, Christiane Thomas
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-vnm16
 
Subject: Chemistry
,
Working Paper
, Title:

Memory of Chirality in Radical Addition-Translocation-Cyclization Cascades

, Authors: Christian Simon Gloor, Valentin Soulard, Fabrice Dénès, Philippe Renaud
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-b0l6k
 
Subject: Politics and International Relations
,
Working Paper
, Title:

What Do I Get? Positive Externalities and Support for Public Investment

, Authors: Ayelen Vanegas
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.33774/apsa-2025-q39wt
 
Subject: Chemistry
,
Review
, Title:

Opportunities and Challenges of Machine Learning in Atomic Layer Deposition

, Authors: Julia Westermayr, Stacey Bent, Ralf Tonner-Zech
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-v35x7
 
Subject: Chemistry
,
Review
, Title:

Separations by Excited State Quenching (SES-Q) an Emerging Concept for Reactive Rare Earth Separations

, Authors: Kevin Ruoff, Eric Schelter
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-pptp5
 
Subject: Chemistry
,
Working Paper
, Title:

Observing Kinetic Selectivity in Anthracene Photodimerization through Selective Quenching by Excited States of Proximate Rare Earth Cations

, Authors: Kevin Ruoff, Mitchell Zembower, Tyler Gong, Tuna Sagdan, Morgan Noody, Gary Chen, Michael Gau, Alexandra Bacon, Cherie Kagan, Eric Schelter
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-s1wpk
 
Subject: Chemistry
,
Working Paper
, Title:

Pilot-Scale Demonstration of a Laminate-Based CALF-20 Rapid Cycle Pressure-Vacuum Swing Adsorption Process for Carbon Capture

, Authors: Nicholas Stiles Wilkins, David Murray McKinnon, Chinmay Baliga, Tai Tran Thanh Nguyen, Bérénice Moroy, Ian Xu, Xilan Lin, Onder Tulpar, Nigel Wheeler, Victor Tran, Alireza Lotfollahzade Moghaddam, Desmond Cronin, Sabereh Rezaei, Andrew Liu
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-zz73j
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Redox Chemistry of Bimetallic Rare Earth-Catechol ate Complexes

, Authors: Han Geng, Joshua Nelson, Kevin Ruoff, Robert Higgins, Michael Gau, Patrick Carroll, Eric Schelter
Version undefined posted 10 December 2025
Posted
Dec 10, 2025
10.26434/chemrxiv-2025-bx1gn
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of Blood Biomarkers for Bipolar Disorder using SERS and Explainable Machine Learning

, Authors: Jihan K. Zaki, Natalie S. Potter, Jakub Tomasik, Jade A. McCune, Sabine Bahn, Oren A. Scherman
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-5sqxr
 
Subject: Chemistry
,
Working Paper
, Title:

Prioritisation of persistent known and unknown chemicals using synthetic accessibility and tandem mass spectrometry

, Authors: Tobias Hulleman, Saer Samanipour, Viktoriia Turkina, Jinglong Li, Cassandra Rauert, Elvis Okoffo, Kevin Thomas, Jake O'Brien
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-6xzxg
 
Subject: Chemistry
,
Working Paper
, Title:

Disorder-Tuned B5 Ensembles for Ammonia Decomposition on Co–Cu–Fe–Mo–Ni High-Entropy Alloys

, Authors: Cao Wang, Xingyu Li, Liang Cao
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-f5jsl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-relaxation Dynamics of Phenolate Anions by Extreme Ultraviolet Time-resolved Photoelectron Spectroscopy in Liquid Jets

, Authors: Do Hyung Kang, Jaydeep Basu, Neal Haldar, Masafumi Koga, Daniel Neumark
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-g15gw
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of Hybrid Direct Air Capture unlocks economically feasible process configurations

, Authors: Moein Fazli Mamaghani, Daniele Micucci, Stefania Bempeli, Shivang Sachar, Yannick Detrois, Himan Dev Singh, Wendy Lee Queen, Kumar Varoon Agrawal, Marina Micari
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-mv536
 
Subject: Chemistry
,
Working Paper
, Title:

Mineral Deposition from Liquid Precursors Triggered by Complementary Polyelectrolytes

, Authors: Mohammed Kayes Patoary, Eli Halperin Pierce, Elizabeth Siu, Brigitte Gallagher, Md Abul Shahid, Yang Zhang, Thomas B. H. Schroeder
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-hpqg5
 
Subject: Chemistry
,
Working Paper
, Title:

PFAS adsorption on amine-functionalized silica nanoparticles: Interactions, mechanisms, and molecular insights

, Authors: Cheng-Hsin Huang, Zhengyi Tang, Riley Lewis, Jingyi Zhou, Sara Nason, Nubia Zuverza-Mena, Sharmaka Mohamud, Benjamin T. Jaynes, Milin Danek, Vasilis Vasiliou, Qiang Cui, Joseph J. Dalluge, Jason C. White, Christy L. Haynes
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-qd5sn
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the effect of the electrostatic interactions on the sheared Polyelectrolyte brush bilayers: A molecular dynamic simulation approach

, Authors: Mike Edwards
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-9tmw5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical activity of novel Ni-rich disordered rock salts upon simultaneous cation and anion substitution

, Authors: Neelam Sunariwal, Fenguan Shi, Khagesh Kumar, Akhil Tayal, Dennis Nordlund, Jordi Cabana
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-vfq52
 
Subject: Chemistry
,
Working Paper
, Title:

Origin of Pt Nuclearity-Dependence of CO Oxidation over Pt/TiO2 Catalysts in the Subnanometer Regime

, Authors: MD RAIAN YOUSUF, Malik Albrahim, Abhijit Shrotri, Eli Stavitski, Adam Hoffman, Simon Bare, Ayman Karim
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-trpsl
 
Subject: Chemistry
,
Working Paper
, Title:

Tackling the scaling relations in ammonia synthesis through light-driven catalysis over LiH-mediated Ru/TiN

, Authors: Xibo Zhang, Haolan Tao, Yang Zhao, Cheng Lian, Fei Chang
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-zs9vz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Versatile Strategy for Embedding Functional Sequences into Polymer Backbones via Controlled Macrocyclic Radical Ring-Opening Polymerization

, Authors: Jiaman Du, Yongjin Wang, Jiayang He, Hanchu Huang
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-44dx4
 
Subject: Chemistry
,
Working Paper
, Title:

Innovative Protocols for Protecting Chemists in Laboratories and Factories: A Rigorous Conceptual Framework for Safeguarding Sensory Organs and Vital Body Parts from Occupational Chemical Hazards, with Application to Petrochemical Environments

, Authors: Sami Shibah
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-dp0pk
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Divergent LMCT Excited State Pathways for Catalyst Control over Alkoxyl Radical Reactivity

, Authors: Zilu Tang, Yetong Lin, Ashley Lojko, Jagrut Shah, Noah Schwartzapfel, Jeffrey Lipshultz
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-b2p6p
 
Subject: Chemistry
,
Working Paper
, Title:

Metastable phases as a route to silver thiolates processing: structural, spectroscopy and computational data

, Authors: Daniil Zhuravlev, Katerina Tatarinova, Dmitry Cheshev, Alexander Maksimov, Veronica Sulyaeva, Iliya Korolkov, Alexander Novikov, Alexey Berezin, Aleksei Titov, Alexey Kuznetsov, Raul Rodriguez, Maxim Sokolov, Pavel Abramov
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-6gznq
 
Subject: Chemistry
,
Working Paper
, Title:

In silico evaluation of garlic-derived organosulfur compounds as multi-target inhibitors of breast cancer biomarkers

, Authors: Courage Siame, Benedict Ofori, Lily Paemka, Kwabena Danquah
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-2wb1h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions

, Authors: Meabh Perry-Britton, Jessica Du, Nicholas White
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-mpb9k
 
Subject: Chemistry
,
Review
, Title:

From Waste to Value: Data-Driven Insights for Biomass Valorization

, Authors: Magesh Ganesan, Hina Goyal, Bhuvaneshwari S Baranwal, Suparna Roy, Leighton O Jones, Qiongqiong Angela Zhou
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-bs48d
 
Subject: Chemistry
,
Working Paper
, Title:

Alleviating the Conformational Bottleneck in Mechanistic Modeling with Bayesian Optimization

, Authors: Toby Lewis-Atwell, Elliot H. E. Farrar, Matthew N. Grayson
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-qztjp
 
Subject: Chemistry
,
Working Paper
, Title:

Inorganic-Organic Sites Synergy in Trinuclear Metal-Cluster-based COFs for Highly Selective CO2 Electroreduction

, Authors: Sourav Biswas, Arupjyoti Pathak, Mandira Ghosh, Sujan Mondal, Imran Hussain, Sriyanka Bhandari, Rupa Sarma, Maho Kamiyama, Kotaro Sato, Tokuhisa Kawawaki, Cafer T. Yavuz, Sabuj Kanti Das, Ranjit Thapa, Yuichi Negishi
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-mg1kx
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence

, Authors: Ignacio Fernández Galván, Daniel Weßling, Roland Lindh
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-q701c-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Biological Study of Benzothiophene-Fused Azaenediyne Hybrids as Potential Anticancer Agents

, Authors: Ekaterina Khmelevskaya, Natalia Danilkina, Sergey Silonov, Evgeny Tretyakov, Alexander Khlebnikov, Vladimir Melnikov, Anastasiia Nikitina, Andrey Rumyantsev, Mariya Kryukova, Irina Balova
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-snv9r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

HTE-enabled Discovery of Palladium-Catalyzed (Hetero)Arylation of Barbituric and Meldrum’s Acid

, Authors: Kacper J. Patej, Joel Bigolin, Monique Ucar, Marius D. R. Lutz, Vera Jost, Georg Wuitschik
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-g7wp0
 
Subject: Chemistry
,
Working Paper
, Title:

Physical mechanisms of an unconventional green fluorescent protein indicator for chloride

, Authors: Mfon V. Sunday, Ke Ji, Derik A. Adams, Weicheng Peng, Sheel C. Dodani, Alice R. Walker
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-n3l58
 
Subject: Chemistry
,
Working Paper
, Title:

Photoactivated coordination polymerization

, Authors: Changhang Zhang, Xinyu Wu, Xiaoyu Li, Hailan Lian
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-8j5sp
 
Subject: Chemistry
,
Working Paper
, Title:

C=C/N=O Metathesis Enables Oxidative Decarboxylation

, Authors: Bence B. Botlik, Adriana Neves Vieira, Benjamin Mitschke, Florian Ruepp, Bill Morandi
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-b0fgk
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting the Maximum Hardness Principle: A Quantitative Analysis on Reaction Datasets

, Authors: Ashima Bajaj, Farnaz Heidar-Zadeh, Thijs Stuyver, Scott Habershon, Paul W.Ayers, Frank De Proft
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-cr8l8
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Coherent Aggregate Exciton Energy Transfer in Organic Dopant Systems

, Authors: Aoyuan Cheng, Xiaoyu Chen, Jintian Xu, Hao Su, Xiaolong Zhang, Pieter E. S. Smith, Baicheng Zhang, Wenhuan Huang, Guozhen Zhang, Yang Zhang, Zhenchao Dong, Yi Luo, Tao Wang, Guoqing Zhang
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-jbqfp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Towards higher quality directly recycled TiNb2O7: elimination of lithiated rutile impurity phase

, Authors: Alex Green, James Annis, Pierrot Attidekou, Joel Cornelio, Liam Perera, Phoebe Allan, Paul Anderson, Peter Slater
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-nzsb9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Multiple Heart-Cut IEC-RPLC Platform for Online Desalting and Fractionation of Monoclonal Antibody Charge Variants

, Authors: Annika A.M. van der Zon, Chuck van der Veen, Mandon Cheung, Melissa J. Baerenfaenger, Govert W. Somsen, Andrea F. Gargano
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-k6xxq
 
Subject: Chemistry
,
Working Paper
, Title:

Global inventory of fluoropolymer production plants and their associated PFAS environmental contamination

, Authors: Anna Miller, Kevin Kleemann, Juliane Glüge, Ian T. Cousins, Dorte Herzke, Rainer Lohmann, Mark F. Miller, Amanda Rensmo, Xenia Trier, Zhanyun Wang, Martin Scheringer
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-mrl6b
 
Subject: Chemistry
,
Working Paper
, Title:

On the Consequences of Categorical Completion in Molecular Chaperones: GroEL-Mediated Protein Folding Through Phase-Locked Hydrogen Bond Networks

, Authors: Kundai Sachikonye
Version undefined posted 11 December 2025
Posted
Dec 11, 2025
10.26434/chemrxiv-2025-184jg
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Substituted Phenylacetamide Ligands in the D4R Extended Binding Pocket

, Authors: Tian Li, Mohammad Alkhatib, Peter Ramdhan, Lindsay Bourn, Jane Rainwater, Norman Nguyen, Caitlin Farrington, Blake Lewis, Chenglong Li, Thomas Keck, Comfort Boateng
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-gz8s2
 
Subject: Chemistry
,
Working Paper
, Title:

A Census Tract-Level Modeling Framework for Estimation of Health Co-Benefits of Decarbonization in New York State

, Authors: Saravanan Arunachalam, Catherine Seppanen, Brian Naess, Bin Cheng, Jiacheng Yang, David Cooley, Caroline Watson, Olivia Salmon, Rachel Silvern, Hillel Hammer
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-8sbv8
 
Subject: Chemistry
,
Working Paper
, Title:

Nano-crystalline sponge method enabled by 3D electron diffraction

, Authors: Sofiia Butonova, Jung Cho, Marcus Wallin, Zhehao Huang, Xiaodong Zou
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-hr4dp
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic enantioselective multicomponent reactions of sulfoxonium ylides enabled by a formal rearrangement

, Authors: Nicolò Santarelli, Pietro Pecchini, Nunzio Matera, Andrea Pellegrini, Riccardo Fabbri, Irati Celada Cubero, Leire Navarro Rubio, Cristina Di Pietro, Andrea Mazzanti, Mariafrancesca Fochi, Luca Bernardi
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-rmqhr
 
Subject: Chemistry
,
Working Paper
, Title:

Macrocyclic Ionizable Lipids for Selective Lung Delivery of mRNA and Gene Recombination

, Authors: David Oupicky, Kasturi Siddhanta, Neha Kumari, Rahul Singh, Braeden Pinkerton, Aditya Sundar, Ling Ding
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-hpf87
 
Subject: Chemistry
,
Working Paper
, Title:

Charge Separation Dynamics of Aromatic Molecules at Aqueous Interfaces Revealed by Ultrafast Photoelectron Spectroscopy

, Authors: Yo-ichi Yamamoto, Toshinori Suzuki
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-4p59j
 
Subject: Chemistry
,
Working Paper
, Title:

Improving Thermal Cycling Stability and Magnetocaloric Efficiency through Orbital Competition and Entropy Engineering in RE11Rh4In9, 4d-4f Layered Intermetallics

, Authors: Yuriy Tyvanchuk, Volodymyr Babizhetskyy, Stanisław Baran, Andrzej Szytuła, Volodymyr Smetana, Emil I. Jaffal, Balaranjan Selvaratnam, Anja-Verana Mudring, Anton O. Oliynyk
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-58fr6
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic analysis of polymer crystallization using the Hoffman–Lauritzen model

, Authors: Alireza Aghili, Amir Hossein Haghighi, Seyed Mohammad Hajji Khorasani
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-6bf11
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Synthesis and Biological Evaluation of Pseudo-Natural Products Inspired by Aryloctahydroindole Alkaloids

, Authors: Herbert Waldmann, Luca C. Greiner, Freddy A. Bernal, Sasikala Thavam, Maite Brachtshäuser, Sonja Sievers, Slava Ziegler
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-7s9lp
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Organometallic Catalysis of Gas-Phase Olefin Hydrogenation in Solid Solvents

, Authors: Wael Barakat, Fabian Heck, Martina Paetsch, Hassan Shatla, Michael Dyballa, Simon Krause, Bettina V. Lotsch, Deven P. Estes
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-x68mq
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Redox Properties of a Thermally Stable bis-N-Heterocyclic Carbene Adduct of Phosphorus Mononitride

, Authors: Helen Leslie, Brian Patrick, Etienne LaPierre, Ian Manners
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-dwn7n
 
Subject: Chemistry
,
Working Paper
, Title:

Can a “soft” liquid “harden” a “soft” solid?

, Authors: Guokang He, Wutong Du, Guiping Yuan, Xinwen Ou, Yunfei Zuo, Zihao Deng, Huaqiang Ju, Shengyi Yang, Binnan Wang, Cheng Liu, Yanzi Xu, Wei-Jian Li, Anjun Qin, Jianwei Sun, Ryan T. K. Kwok, Jacky W. Y. Lam, Ben Zhong Tang
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-cjmcf
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Machine Learning Interatomic Potentials On Ion Transport Properties

, Authors: Ogheneyoma Aghoghovbia, Ming Hu, Adji Bousso Dieng
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-54t6l
 
Subject: Chemistry
,
Working Paper
, Title:

β-BaCO3 facilitates a topochemical reaction route for the high temperature synthesis of perovskite-type (Ba,Ca)(Zr,Ti)O3 via oxycarbonate intermediates

, Authors: Anna Paulik, Marc Widenmeyer, Sylvia Kunz, Magdalena Cichocka, Ute Kolb, Jurij Koruza, Oliver Clemens
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-mk5dj
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic Insights into the Catalytic Mechanism of Propylene Formation by the Non-Heme Fe(II)/2-Oxoglutarate Dependent Ethylene-Forming Enzyme

, Authors: Midhun George Thomas, Simahudeen Bathir Jaber Sathik Rifayee, Christo Z. Christov
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-3tlcx
 
Subject: Chemistry
,
Working Paper
, Title:

An Interpretable Machine Learning Framework for Prediction of Adsorption Energies and Generative Design of Active Sites on Arbitrary Catalysts

, Authors: Matthew S. Johnson, Richard H. West, Judit Zádor
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-c4jjx
 
Subject: Chemistry
,
Working Paper
, Title:

Radical-Omics Reveals the Hydrogen-Abstraction Pathway of Isoprene Oxidation

, Authors: Huan Song, Hongyang Cui, Huabin Dong, Ce Chen, Wenyu Wei, Yang Li, Qindan Zhu, Bo Tang, Chongqin Zhu, Xuefei Ma, Zhaofeng Tan, Shiyi Chen, Yi Wan, Keding Lu
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-gftm8
 
Subject: Chemistry
,
Working Paper
, Title:

In-Situ Surface Reconstruction and Carbon Encapsulation for High-Performance Pt-Lean Catalysts beyond Conventional Core–Shell Designs

, Authors: Jeong Hee Lee, Jiho min, Keonwoo ko, Yunjin kim, Hyelim park, Mansu kim, Dongwook lee, Sung-Dae yim, Yun Sik kang, Joseph Thomas Hupp, Namgee Jung, Sung Jong Yoo
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-7767j
 
Subject: Chemistry
,
Review
, Title:

The Potential of Machine Learning in Oligonucleotide Therapeutics Manufacturing

, Authors: Giacomo Padroni, Charlie Phillips, Thomas M Whitehead, Gareth J Conduit, Claire MacLeod, Emma Green
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-qb9rz
 
Subject: Chemistry
,
Working Paper
, Title:

On Trapping of Ions Using Low E/N Rotating Electric Fields: Towards All-Pressure Ion Confinement

, Authors: Jung-Yun Lee, Aneesh Prabhakaran, Yehia Ibrahim, Sandilya Venkata Bhaskara Garimella
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-zk6dq
 
Subject: Chemistry
,
Working Paper
, Title:

Thermokinetic Description of the Heat Capacity Change at the Glass Transition: 1. Can Glass Transition Kinetics Be Adequately Described by a Single Activation Energy? 2. Can the Glass Transition Temperature Be Predicted from Basic Physical Parameters? 3. What is the Role of Heat Capacity in the Vogel-Fulcher-Tammann Equation Describing Primary Relaxation in Glasses?

, Authors: Peter Skrdla
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-f5ml0
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the polarization performance of the polysulfide redox couple in a reference electrode-equipped single electrolyte flow cell

, Authors: Alexander Quinn, Gerardo Pagano, Merle Blum, Fabio Di Fonzo, Fikile Brushett
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-l6kzw
 
Subject: Chemistry
,
Review
, Title:

Gas chromatography-mass spectrometry (GC-MS) in the plant metabolomics toolbox. Part 2: Analysis of polar low molecular weight metabolites

, Authors: Tatiana Bilova, Nadezhda Frolova, Anastasia Orlova, Svetlana Silinskaia, Olga Babich, Veronika Popova, Andrej Frolov
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-tc00f
 
Subject: Chemistry
,
Working Paper
, Title:

Nanomolar Sensitivity Chirality Transfer from Designed Helical Repeat Proteins to Achiral CdS Nanorods

, Authors: Christopher Lowe, Le Tracy Yu, Jiaobing Tu, Isobelle O'Reilly, Emily Miura-Stempel, Helen Larson, Catherine Bodinger, David Baker, Brandi Cossairt
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-nv8rg
 
Subject: Chemistry
,
Working Paper
, Title:

Depth-Resolved Lithium Isotope Fractionation as a Diagnostic of Interphase Evolution and Degradation in Lithium Ion Batteries

, Authors: Beatrice Battistella, Adam Revill, Cornel Venzago, Volker Hoffmann, Leonardo Agudo Jácome, Sebastian Recknagel, Carlos Abad
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-5rvlk
 
Subject: Chemistry
,
Working Paper
, Title:

Magic Diamond: Covalent Bond Formation of Melamine and other Amines on Nanodiamond Surfaces

, Authors: Camron Stokes, Tsz Cheung, Jorge Lopez-Rosas, Grace Drew, Joy Drew, Anoushka Lakshmi, Nivita Susendran, Muhammed Qasim, Cynthia Melendrez, Sang-Jun Lee, Avery Green, Jia Lu, Virginia Altoe, Dennis Nordlund, Kent Irwin, Abraham Wolcott
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-xc3zm
 
Subject: Chemistry
,
Working Paper
, Title:

Germanium-Organic Frameworks: Metalloid-Metalloid Bonding as A Covalent Switch for Linker Redox and Conductivity

, Authors: Ha L. Nguyen, Mukunda Mandal, Chen-Yu Lien, Alexander S. Filatov, Shilin Zheng, Chenghua Deng, Macon Abernathy, Ritimukta Sarangi, Akhil S. Kumar, Jan Hofmann, Karena Chapman, Jie-Hao Chen, Shrayesh Patel, Laura Gagliardi, John S. Anderson
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-361kl
 
Subject: Chemistry
,
Working Paper
, Title:

Gas Permeation Properties of Amorphous Zeolitic Imidazolate Framework Membranes Made by Atomic/Molecular Layer Deposition

, Authors: Prince Kumar Verma, Pragya Parihar, Danlin Chen, Jingzhi Xue, Eliseo Perez Gomez, J. Anibal Boscoboinik, Julien Grand, J. Ilja Siepmann, Michael Tsapatsis
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-z87z5
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into overall photocatalytic water splitting through simultaneous in situ H2 and O2 measurements

, Authors: Nadzeya Brezhneva, Alexander Eith, Ebrahim Abedini, Daniel Kowalczyk, Dirk Ziegenbalg, Jacob Schneidewind
Version undefined posted 12 December 2025
Posted
Dec 12, 2025
10.26434/chemrxiv-2025-q3fdh
 
Subject: Chemistry
,
Working Paper
, Title:

PaCS-perm: Insights into Membrane Permeation by Drugs using Parallel Cascade Selection Molecular Dynamics

, Authors: Weishuai Ma, David Chalmers
Version undefined posted 13 December 2025
Posted
Dec 13, 2025
10.26434/chemrxiv-2025-fl7cj
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Structural levels of technological development and their consequences

, Authors: Alexandre Costa-Leite, Rodrigo de Souza Dantas
Version undefined posted 13 December 2025
Posted
Dec 13, 2025
10.33774/coe-2025-45ndv
 
Subject: Chemistry
,
Working Paper
, Title:

Shape-induced d-band center optimization of PdBiNi nanocubes for exclusive oxidation of glycerol into C3 products

, Authors: Qing Zeng, Tao Zhou, Zhengxiao Guo, Edmund Chun Ming Tse
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-8pv81
 
Subject: Chemistry
,
Working Paper
, Title:

Orthogonal Electrochemical Amine Deprotection: Towards Sustainable Strategies for Peptide Synthesis

, Authors: Esteban Suárez-Picado, Saurabh Ahirwar, Lara Malins
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-h1v6s
 
Subject: Chemistry
,
Working Paper
, Title:

A Chlorooxime-Mediated Amidination of N-Terminus for Late- Stage Modifications of Unprotected Peptides

, Authors: Fa-Jie Chen, Wang Gu, Xiao-Yu Luo, Wanzhen Lin, Fen-Er Chen
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-s29g7
 
Subject: Chemistry
,
Working Paper
, Title:

Measurable Feature Prediction for Estimating Chemical Space Coverage in LC-ESI-HRMS Non-targeted Analysis

, Authors: Lapo Renai, Viktoriia Turkina, Aleksandra Chojnacka, Andrea F. G. Gargano, Saer Samanipour
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-4mwlc
 
Subject: Chemistry
,
Working Paper
, Title:

Environmental sustainability analysis of hard coating TiN CVD by Life Cycle Assessment

, Authors: Annelie Calrson, Örjan Danielsson, Francis Chalvet, Linus von Fieandt, Tommy Larsson, Oscar Alm, Jonas Lauridsen, Roger Nilsson, Henrik Pedersen
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-qplq9
 
Subject: Chemistry
,
Working Paper
, Title:

A Dynamic Evaluation of Cisplatin Encapsulation into [Pd2L4]4+ Metallacages in Solution

, Authors: Julia A. Stebani, Iñigo Iribarren, Darren Wragg, Alessio Gagliardi, Angela Casini
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-7m9mj
 
Subject: Chemistry
,
Working Paper
, Title:

Bipolar palladium membrane enabling crossover-free selective proton conduction for coupling Li-mediated nitrogen reduction with water oxidation

, Authors: Jae Hyung Kim, Jiyeon Baek, Yeongbae Jeon, Seunga Lee, Ahee Choi, Joonmok Shim, Kyungho Lee, Ho Woun Jung, Sun Hyung Kim, Churl Hee Cho, Hyung Chul Yoon, Yun Jeong Hwang
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-x6z3v
 
Subject: Chemistry
,
Working Paper
, Title:

Thermal Dearomative Rearrangement of α-(Prop-2-enyl)-α’-(pyridin-2-yl) Malonates Derivatives towards 4H-Dihydroquinolizine.

, Authors: Pierre Locquet, Noam Boussalem, Delphine Hatey, Fabienne Grellepois, Eric Hénon, Emmanuel Riguet, Aurélien Blanc
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-2p3qw
 
Subject: Chemistry
,
Working Paper
, Title:

Short-Chain and Long-Chain Fatty Acid-Containing Platinum–Acridine Anticancer Prodrugs: Exploiting Alternative Mechanisms of Cellular Internalization

, Authors: David Halatek, Sarah Bo, Samuel Feder, Lilly Wolf, Dylan Coffin, Lauren Sapp, Glen Marrs, Beatriz Fontoura, Bradley Jones, Ulrich Bierbach
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-4w8qs
 
Subject: Chemistry
,
Working Paper
, Title:

A Crystalline In(II) Hydride

, Authors: Olympia Mouriki, Graham Tizzard, Simon Coles, Diego Andrada, Oriol Planas
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-3qx6j
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast Electrocatalytic H2 Evolution from Water Achieved by a Cobalt-NHC Catalyst

, Authors: Masanori Kan, Kosei Yamauchi, Ken Sakai
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-hwww9
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Equilibrium Synthesis of Phase-Pure Cu5Ge2Te7

, Authors: Arnab Dutta, Jayanta Dutta, Simon Steinberg, D V Maheswar Repaka, Pawan Kumar, Debbie Hwee Leng Seng, Kedar Hippalgaonkar, Partha Pratim Jana
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-xpcxm
 
Subject: Chemistry
,
Working Paper
, Title:

Photoacid-mediated controllable gelation in a chemical reaction cycle

, Authors: Alvaro Lopez-Acosta, Jorge Valera, Rafal Klajn, Thomas Hermans
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-k0mlk
 
Subject: Chemistry
,
Working Paper
, Title:

Computational screening of bioinspired mixed ionic-electronic conductors

, Authors: Tristan Stephens-Jones, Micaela Matta
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-f8j3k
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of BE2012, a First-in-Class REV-ERBα/β Antagonist with Favorable Selectivity and Pharmacokinetics, and In Vivo Efficacy in Inducing Key Myogenic Factors for Muscle Repair upon Acute Muscle Injury

, Authors: Lingaiah Maram, Aurore Cecile Valfort, Mohammad Homaidur Rahman, Hazem Okda, Mohamed Elagawany, Henry Politte, Kevin Appourchaux, Gonzalo Bedia-Diaz, Isabelle Côté, Lamees Hegazy, Thomas Burris, Bahaa Elgendy
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-1bjvv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Characterization of a Desolvated Flexible Porous Coordination Polymer Using MicroED

, Authors: Yuki Masuda, Umme Fariha Tasnim, Yuan Huang, Takanori Nakane, Akihiro Kawamoto, Genji Kurisu, Yuh Hijikata, Shin-ichiro Noro
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-x1hm7-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A General-Purpose Software Framework for Automated Molecular Catalyst Design and Reactivity Optimization

, Authors: Pavel Dub, Thomas Hughes, Thomas Mustard
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-mm69d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photooxidative Copper(II) Catalysis for Promoting anti-Markovnikov Hydration of Alkenes

, Authors: Naoki Oku, Keito Fuke, Rikako Masui, Ken Yamazaki, Yasunori Matsui, Hiroshi Ikeda, Tomoya Miura
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-qd33b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly of a dimeric β-hairpin peptide mimicking the laccase trinuclear site

, Authors: Claudia Spallacci, Marco Chino, Ornella Maglio, Claudia Andreini, Ping Huang, Andrea Rosichini, Luca D'Amario, Angela Lombardi, Mun Hon Cheah
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-40dm3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Organophosphides: A New Class of Luminophore Ligands for Copper(I) Carbene Based TADF Emitters and Photocatalysts

, Authors: Paul C. Ruer, Julian J. Holstein, Andreas Steffen
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-1f7mf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Second CACHE Challenge - Targeting the RNA-Binding Pocket of the SARS-CoV2 Nonstructural Protein 13 via a consensus-scoring method and FITTED templated docking.

, Authors: Anita K. Nivedha, Mihai Burai-Patrascu, Ophélie Rostaing, Prakash Chukka, Bimaldeep Singh, Matej Janezic, Antoine Moitessier, Nicolas Moitessier, Joshua Pottel
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2023-5g38r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Accurate Transferable Hydrofluorocarbon Refrigerant Force Fields Using a Machine Learning and Optimization Approach

, Authors: Montana Carlozo, Ning Wang, Alexander Dowling, Edward Maginn
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-32g4m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Microscopic elasticity from MD part I: Bulk solid and fluid systems

, Authors: Andrew Lewis, Benjamin Himberg, Alejandro Torres-Sánchez, Juan Vanegas
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-j17x4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Microscopic elasticity from MD part II: Liquid interfaces and lipid membranes

, Authors: Andrew Lewis, Benjamin Himberg, Alejandro Torres-Sánchez, Juan Vanegas
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-kfhss-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Guided Photocatalytic Cross-Coupling of Phenols and Heteroaryl Halides

, Authors: Matthew C. Carson, Alice Wu, Kalyana B. Duggal, Madeline E. Rotella, Marisa C. Kozlowski
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-5vcsz
 
Subject: Chemistry
,
Working Paper
, Title:

Closed-Loop Photoreactor Design Enabled by Machine Learning and Digital Twins

, Authors: Jasper Schuurmans, Miguel Claros, Elia Savino, Florian Lukas, Aidan Slattery, Timothy Noel
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-s7b3k
 
Subject: Chemistry
,
Working Paper
, Title:

Development of next-generation ALDH1B1 inhibitors with enhanced pharmacological and functional properties

, Authors: Ahit Kaan Tarhan, Zhiping Feng, Daniel Fernandez, Audrey Kim, Thomas Bearrood, Andrew Hinman, Nicholas White, James Chen
Version undefined posted 14 December 2025
Posted
Dec 14, 2025
10.26434/chemrxiv-2025-9cq5c-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Strategic lifetime tuning of visible-light absorbing two-coordinate metal complexes

, Authors: Kelly Biv, Thabassum Nattikallungal, Peter Djurovich, Stephen Bradforth, Mark Thompson
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-h7xrx
 
Subject: Chemistry
,
Working Paper
, Title:

Zwitterionic Pnictinidenes in Catalytic Defluorinative Functionalization: Beyond Redox Hydrodefluorination

, Authors: Irene Sanchez-Sordo, Sergio Fernandez, Selwin Fernando, Diego Andrada, Oriol Planas
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-0d210
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable porous collectors for Agricultural Runoff Treatment

, Authors: Léalu Que-Trépanier, Lovenie Victor, Mathieu Lapointe
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-r26fp
 
Subject: Chemistry
,
Working Paper
, Title:

Protective Role of Germania on (Sn,Ge)-Mixed Halide Perovskites: Interfacial Effects and Excitonic Optical Properties from First-Principles

, Authors: Maurizia Palummo, Azusa Muraoka, Suraya Shaban, Shuzi Hayase, Koichi Yamashita, Giacomo GIORGI
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-g4x6s
 
Subject: Chemistry
,
Working Paper
, Title:

Bidirectional optical control of osteogenesis with a light activated vitamin D mimetic

, Authors: Xiu Ge, Sabine Willems, Francesco Melfi, Tufan Mukhopadhyay, Johannes Morstein, Jordan Artzy, Loris Knümann, Giorgia Sbriccoli, Jörg Pabel, Julian A. Marschner, Dirk Trauner, Daniel Merk
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-ddr0f
 
Subject: Chemistry
,
Working Paper
, Title:

Comparative Analysis of Conventional Cell Lysis Techniques to Electrochemical Cell Lysis using the Liquid Microjunction Surface Sampling Probe

, Authors: Rebecca X. Y. Chen, Jessie F. Deng, Rosa Perentesis, Lynne O'Donnell, R. Stephen Brown, Richard D. Oleschuk, Zhe She
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-z48s0
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and chiral optical activity of a quadruple heterohelicene based on 1,4-dihydropyrrolo[3,2-b]pyrrole–picene hybrid

, Authors: Daniel Gryko, Krzysztof Kochanowski, Krzysztof Górski, Damian Kusy, Nicolas Vanthuyne, Alessandro Landi, Francesco Bertocchi, Arkadiusz Ciesielski, Michał Cyrański, Guglielmo Monaco, Francesca Terenziani, Jędrzej Predygier
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-z4qfs
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Cost Mechanism-Informed Features Enable Transferable Enantioselectivity Predictions from Sparse Data

, Authors: Simone Gallarati, Erin M. Bucci, Abigail G. Doyle, Matthew S. Sigman
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-f5ddv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Switching Modulates Excited-State Pathways in a Cofacial Perylene Dimer

, Authors: Giovanni Bressan, Denis Hartmann, Jonathan Brouwer, Erico Braun, James Bull, Timothy Barendt
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-spdnz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Armstrong’s Exclusion-Zone SASA Formula and Model

, Authors: Dylan Armstrong
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-jtx55-v6
 
Subject: Chemistry
,
Working Paper
, Title:

A Four-Component Relativistic Perspective on the E ⊗ e Jahn–Teller Model

, Authors: Martin van Horn, Nanna Holmgaard List
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-47531-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Large-Scale, Highly Efficient, and Visibly Transparent Luminescent Solar Concentrators Based on AIE Luminogens

, Authors: Zeming Yang, Yisen Peng, Zonghang Liu, Yuncong Bai, Qinyang Jiang, Shuyu Xue, Parvej Alam, Zijie Qiu, Ben Zhong Tang
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-068zl
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Stacking and Pressure on Bilayer and 3D Y2XT2 (X= C, N and T= O, F, Cl) MXenes

, Authors: Buddi Vithanage, Deniz Çakır, Edirisuriya Siriwardane
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-xxfss
 
Subject: Chemistry
,
Working Paper
, Title:

graphpancake: A Python package for representing organic molecules as molecular graphs utilizing electronic structure theory

, Authors: Karl Scheidt, Sneha Sil, Mark Maskeri
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-xcq3k
 
Subject: Chemistry
,
Working Paper
, Title:

MixtureSolDB, dataset of solubility values for organic compounds in binary mixtures of solvents at various temperatures

, Authors: Dmitry Malikov, Lev Krasnov, Marina Kiseleva, Elizaveta Meshcheriakova, Fedor Kuznetsov, Vladimir Elistratov, Matvei Vasiyarov, Sergei Tatarin, Stanislav Bezzubov
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-m51v8
 
Subject: Chemistry
,
Working Paper
, Title:

Simple empirical equations to estimate tetragonal to cubic phase transitions in lead iodide perovskites

, Authors: Fernando Brondani Minussi, Rogério Silva Jr., Thays Abreu, José Eiras, Eudes Araújo
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-69d5q
 
Subject: Chemistry
,
Review
, Title:

Physics-Based Modeling of Platinum Catalyst Dissolution and Oxidation in PEM Fuel Cells: A Focused Review

, Authors: Gerard Agravante, Jeff Gostick
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-pv39l
 
Subject: Chemistry
,
Working Paper
, Title:

Would the Tandem Sequential Cycloaddition Reactions of Functionalized Acetylene, Cyclopentadienyl Derivatives, and Phenyl Azide for the Formation of Norbornene 1,2,3-Triazolines Proceed via the [4+2]/[3+2] or [3+2]/[4+2] Reaction Sequences? A DFT Mechanistic Study

, Authors: Isaac Ampersand-Kwadwo Akwetey, Joshua Atta-Kumi, Richmond Arhin, Isaac Ofori, Richard Tia, Evans Adei
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-fvnqf
 
Subject: Chemistry
,
Working Paper
, Title:

A Computational Modeling of ADLumin Chemiluminescence: Oxygenation and Dioxetanone Formation

, Authors: Carly Wickizer, Chance Lander, Zheng Pei, Wai Tak Yip, Chongzhao Ran, Yihan Shao
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-ww011
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design of a Ruthenium–Cupin Complex as an Artificial Ketone Reductase with High Hydride-Coupling Efficiency

, Authors: Koki Matsumoto, Souto Kitazawa, Ryusei Matsumoto, Yoshitsugu Morita, Nobutaka Fujieda
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-jl6km
 
Subject: Chemistry
,
Working Paper
, Title:

Wells-Dawson Polyoxometalate Complexes with Actinides (Part 1): Americium and Curium

, Authors: Ian Colliard, Gauthier Deblonde
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-kc4ln
 
Subject: Chemistry
,
Working Paper
, Title:

Wells-Dawson Polyoxometalate Complexes with Actinides (Part 2): Californium.

, Authors: Ian Colliard, Gauthier Deblonde
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-ct10m
 
Subject: Chemistry
,
Working Paper
, Title:

Self-training Improves Prediction of NMR Order Parameters

, Authors: Qianqian Wang, Xiongjie Xiao, Xu Zhang, Bin Jiang, Maili Liu
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-grw5q
 
Subject: Chemistry
,
Working Paper
, Title:

SOPPCL: Sequence-based Order Parameter Prediction with Contrastive Learning

, Authors: Qianqian Wang, Xiongjie Xiao, Xu Zhang, Bin Jiang, Maili Liu
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-201mq
 
Subject: Chemistry
,
Working Paper
, Title:

Biomolecular Multiscale Simulation (BMS25) Dataset to Train Neural Network Potentials for QM/MM Settings with Electrostatic Embedding

, Authors: Moritz Thürlemann, Felix Pultar, Igor Gordiy, Sereina Riniker
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-xzp6k
 
Subject: Chemistry
,
Working Paper
, Title:

Radiotracer Competition Binding Experiments with α-Synuclein Fibrils Reveal Insights into Designs for Ligand Specificity

, Authors: Ryann Perez, Gui-Long Tian, Vinayak Pagar, Haiyang Zhao, Yanbo Yu, Bieneke Janssen, Zsofia Lengyel-Zhand, Xinning Li, John Grey Crosby, Zhude Tu, Robert Mach, E. James Petersson
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-vb124
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Apex Court’s Dilemma: Rulemaking Alignment Under Hierarchical and Political Constraints

, Authors: Mauricio Mandujano Manriquez
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.33774/apsa-2025-d4nld-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The effects of historical events on SES gaps and levels of political discussion: quasi-experimental evidence from the German Reunification period

, Authors: Sergio Galaz García
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.33774/apsa-2025-v0hwv
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Electoral Spectators: 2024 US Presidential Election and Online Political Discourse in China

, Authors: Muzhi Liu
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.33774/apsa-2025-48xp3
 
Subject: Chemistry
,
Review
, Title:

Biomimetic Targeting and Autonomous Optimization in Nanomedicine

, Authors: Yan Jun Lin, Izabella Komperda
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-fxnmb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Interlayer Force Field for the Anisotropic Interaction between Planar Organic Molecules and Two-dimensional Hexagonal Boron Nitride

, Authors: Tolibjon Abdurakhmonov, Oliver Kuehn
Version undefined posted 15 December 2025
Posted
Dec 15, 2025
10.26434/chemrxiv-2025-kvl69-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enabling Accurate Chemical Modeling of Shocked Energetic Materials Using a Machine Learning Interatomic Potential

, Authors: C. Huy Pham, Nir Goldman, Laurence Fried, Rebecca Lindsey, Jim Gaffney, Timo Bremer
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-fxjrv
 
Subject: Chemistry
,
Working Paper
, Title:

Combined machine learning approaches to predict thermal conductivity for liquid mixtures

, Authors: Trung Thanh Le, Carlos Nieto-Draghi, Véronique Lachet, Filippos D. Sofos, Theodoros E. Karakasidis, Benoit Creton
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-cdmq9
 
Subject: Chemistry
,
Working Paper
, Title:

Superior Lattice Oxygen-Mediated Oxygen Evolution Reaction Using a High Entropy Metal Phosphate Precatalyst

, Authors: Fareen Umar, Fathimath Habeeba K V, Amit Paul
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-28jzz
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling and parameterization of size-dependent processes in multiphase aerosol chemistry

, Authors: Sandhya Sethuraman, Daniel Westervelt, Kedong Gong, Vicki Grassian, V. Faye McNeill
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-q36bp
 
Subject: Chemistry
,
Working Paper
, Title:

Practical Data-Driven Interrogation of Reactivity in Acid-Catalyzed Carbonyl–Olefin Metathesis with Machine Learning and Large Language Models

, Authors: Zihao Li, Yutao Kuang, Stephen Chamness, Ethan Prout, Gabriel Jones-Thomson, Ben Niu, Timothy McClure, Sean Burns, Corinna Schindler, Jolene Reid
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-tpfct
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Optimization of a Palladium-Nickel Core-Shell Semi-Hydrogenation Catalyst

, Authors: Neha Gupta, Aamir Abbas, Alvaro Mayoral, Claudia Weidenthaler, Norbert Pfänder, Constanze Neumann
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-wphzm
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Nitrogen Fixation Using Molybdenum–Oxo Com-plexes Bearing NHC-Based PCP-Type Pincer Ligands via Oxo-to-Nitride Conversion

, Authors: Yoshikatsu Kameda, Shun Suginome, Taiji Nakamura, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-hllpf
 
Subject: Chemistry
,
Working Paper
, Title:

Use of halogenated units for the construction of artificial carbohydrate receptors

, Authors: Betty Fuhrmann, Conrad Hübler, Monika Mazik
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-wx16v
 
Subject: Chemistry
,
Working Paper
, Title:

Spin-polarized oxygen evolution catalysis enabled by a honeycomb quantum magnet

, Authors: Ghulam Hussain, Shuyi Li, Man Zhang, Bing Wang, Xinyan Dai, Shengyu Sun, Xiaoqi Zhou, Vladimir Presnov, Ziquan Wang, Yici Li, Xiawa Wang
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-8tk7v
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Structure-Based Genetic Algorithms and Reinforcement Learning for the De Novo Discovery of Novel BACE1 Inhibitors

, Authors: Thang Dang, Mai Luong
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-bj970
 
Subject: Chemistry
,
Working Paper
, Title:

Powering Hyperscale AI Data Centers with Off-grid Solar, Battery, and Hydrogen

, Authors: Anil Bika, Brian Setzler, Paul Browning, Vrishank Mechineni, Rebekah Marks, Karen Meidlinger, Ajay Prasad, Yushan Yan
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-1z3cp
 
Subject: Chemistry
,
Working Paper
, Title:

Vacuum-free spectroscopy reveals metastable oxygen redox intermediates in oxygen-redox cathodes

, Authors: Donggun Eum, Oscar Paredes Mellone, Eder Lomeli, Edward Mu, Hari Ramachandran, Dean Skoien, Emma Choy, Nidhi Kapate, Serin Lee, Evan Carlson, John Vinson, Jennifer Dionne, Thomas Devereaux, Dimosthenis Sokaras, William Chueh
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-p17xv
 
Subject: Chemistry
,
Working Paper
, Title:

Gradients not needed: ML-driven propagation of nonadiabatic molecular dynamics without reference gradients

, Authors: Mikołaj Martyka, Joanna Jankowska, Hans Lischka, Pavlo O. Dral
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-5v4hx
 
Subject: Chemistry
,
Working Paper
, Title:

ConforFormer: representation for molecules through understanding of conformers

, Authors: Mas Klein, Irina Rudenko, Evgeny Pidko, Ivan Bushmarinov
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-x68vd
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning Connectivity in Hybrid Organic-Inorganic Antimony Halides through Reactant Concentration Effects

, Authors: Jakob Blahusch, Julia Rauh, Petra Rovo, Igor Moudrakovski, Douglas H. Fabini, Bettina V. Lotsch
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-ddpxh
 
Subject: Chemistry
,
Working Paper
, Title:

CAU-10-H: synthesis scale-up at pilot scale, techno-economic analysis and application in a full-scale cooling system

, Authors: Kalle Mertin, Abeer Mohtar, Marta Bordonhos, Moisés Pinto, Thomas May, Ralph Herrmann, Norbert Stock
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-38cvz
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking Physics-inspired Machine Learning Models for Transition Metal Complexes with Diverse Charge and Spin States

, Authors: Yuri Cho, Ksenia R. Briling, Yannick Calvino Alonso, Rubén Laplaza, Clemence Corminboeuf
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-j38bv
 
Subject: Chemistry
,
Working Paper
, Title:

A relaxed electric double layer accelerates photocatalytic oxygen evolution on TiO2 nanoparticles: Effects of Fe3+ redox shuttle concentration and pH

, Authors: Rebecca Lentz, Zhaokai Lin, Hyuna Kwon, Pushp Raj Prasad, William Stinson, Tadashi Ogitsu, Daniel V. Esposito, Joseph P. Patterson, Tuan Anh Pham, Oluwaseun Salako, Rohini Bala Chandran
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-l801v
 
Subject: Chemistry
,
Working Paper
, Title:

Separation of Sulfated Fucose-containing Isomers found in L.digitata using Cyclic Ion Mobility Mass Spectrometry

, Authors: Olivia Wyper, Karl Jobst, Francesca Kerton
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-2mc30
 
Subject: Chemistry
,
Working Paper
, Title:

The Structure of Nanoconfined THF-water Mixtures: From Local Hydrogen Bonding to Microphase Separation and Crystallization

, Authors: Chenwei Zheng, Thomas Headen, Camilla Di Mino, Daniel Bowron, Huanzhi Hu, Neal Skipper, Marta Falkowska
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-gzxjn
 
Subject: Chemistry
,
Working Paper
, Title:

Fast Prediction of Complex Molecular Crystals by Sensible Selection of Asymmetric Units

, Authors: Jordan Dorrell, Graeme Day
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-l4ftw
 
Subject: Chemistry
,
Working Paper
, Title:

Accessing broader vinyl ether scope for sequential cationic-anionic block copolymers

, Authors: Brandon Hosford, Jinxiao Li, Nora O'Connor, Jessica Lamb
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-3qf0r
 
Subject: Chemistry
,
Working Paper
, Title:

Using bond characteristics to predict self-healing properties in materials for sustainable energy conversion

, Authors: Yuval Mualem, David Cahen, Yevgeny Rakita, Hannah Noa Barad
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-8r4l2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Vibronic contributions to hyperfine-mediated spin kinetics

, Authors: Anjay Manian, Holden Paz, Haibo Yu
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-6qbgm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational modeling of PROTAC ternary complexes as ensembles using SILCS-PROTAC

, Authors: Erik Nordquist, Mingtian Zhao, Wenbo Yu, Alex MacKerell
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-jk9sn-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistic Effects of Solid Electrolyte Mild Sintering and Lithium Surface Passivation for Enhanced Lithium Metal Cycling in All-Solid-State Batteries

, Authors: Jinsong Zhang, Robin N Wullich, Thomas J Schmidt, Mario El Kazzi
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-cdks6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Selectivity in Gas–Liquid Interactions: Molecular Beam Scattering of CD₄ and ND₃ from an Aqueous Flat Liquid Jet

, Authors: Madison M. Foreman, Walt Yang, Tiffany C. Ly, Kevin R. Wilson, Daniel M. Neumark
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-0n72h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal-Organic Framework

, Authors: Xijun Wang, Xiaoliang Wang, Xiaoyi Zhang, Zhao Li, Jiayang Liu, Faramarz Joodaki, Kaihang Shi, Filip Formalik, Omar Farha, Daniela Kohen, Randall Snurr
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-vr4vl
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-Function Metal–Phenolic Networks-Capped Starch Nanoparticles for Postharvest Pesticide Removal and Produce Preservation

, Authors: Tianyi Jin, Zhangmin Wan, Ivy Chiu, Song Yan, Gary Othniel Wijaya, Orlando Rojas, Keng C. Chou, Rickey Y. Yada, Tianxi Yang
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-dhdmn
 
Subject: Chemistry
,
Working Paper
, Title:

Photoreactive Pantetheinyl Mimics Reveal Design Limitations for Crypto-Acyl Carrier Proteins

, Authors: Anna-Kay R. West, Tawakalitu A. Afolabi-Balogun, Christian C. Martin, Lizbeth Cambron, Mujeeb A. Wakeel, Joshua A. Baccile, Constance B. Bailey
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-p9hbx
 
Subject: Chemistry
,
Working Paper
, Title:

Overcoming Surface Irregularities-Induced Large Signal Variation in In Situ SERS via Tailored 1D-CNN for Accurate Quantification on Biological Tissues

, Authors: Ling Guo, Zihan Liao, Tianxi Yang
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-wpj08
 
Subject: Chemistry
,
Working Paper
, Title:

Comparing Machine Learning Techniques for Predicting Optical Data from Quantum Mechanical Calculations

, Authors: Maha Alotaibi, Andre Clayborne
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-p314k
 
Subject: Computer Science
,
Working Paper
, Title:

An Ikigai-Based Decision Journal: A Framework for Meaning-Oriented Life Design in an Age of Uncertainty

, Authors: Özgecan Siyez
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.33774/coe-2025-zwrxb
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Curvature coupled dirac dynamics in curved spacetime

, Authors: Stotra Goswami
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.33774/coe-2025-bhxhv
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochromic adaptive solar heater and sub-ambient passive daytime radiative cooler

, Authors: Chenxi Sui, Yu Han, Qizhang Li, Xinyu Dou, Gangbin Yan, Jiadong Liu, Blake Harris, Jinlei Li, Alexander S. Filatov, Po-Chun Hsu
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-1wb7h
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic analysis of the nucleation-driven processes in condensed phase using the Turnbull–Fisher model

, Authors: Alireza Aghili, Amir Hossein Haghighi, Seyed Mohammad Hajji Khorasani
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-2s1mz
 
Subject: Chemistry
,
Working Paper
, Title:

CO2 reduction by lanthanide borohydride complexes and hydroboration reactivity

, Authors: Disha Bhattacharjee, Harsh P. Singh, Hugh J. Sanderson, Grégory Nocton, Thomas SIMLER
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-r6pjd
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular Morphogenesis Driven by Nonequilibrium Break-and-Build Self-organisation

, Authors: Ryou Kubota, Yuriki Ikuta, Shogo Torigoe, Itaru Hamachi
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-73bg1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Physicochemical and Computational Analysis of Tris(fluoromethyl)alkyl Building Blocks

, Authors: Denys Klyukovskiy, Oleksandr S. Liashuk, Mykhailo Redka, Alina T. Bezuhla, Oleksandr P. Blahun, Dmytro Lesyk, Petro Borysko, Anton V. Chernykh, Yurii M. Pustovit, Oleksandr Grygorenko
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-v24r6
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Molecular High-Pressure Simulations by Implicit Solvation

, Authors: Nico Kißing, Felix Zeller, Tim Neudecker
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-c0ds1
 
Subject: Chemistry
,
Working Paper
, Title:

Direct measurement of the Gibbs free energy of mixing via atom probe tomography

, Authors: Jianshu Zheng, Rüya Duran, Parisha Diwan, Guido Schmitz, Sebastian Eich
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-f2np3
 
Subject: Chemistry
,
Working Paper
, Title:

A nanomolar affinity dopamine aptamer: rethinking of negative selections

, Authors: Yi Yu, Yuanli Li, Juewen Liu
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-50q04
 
Subject: Chemistry
,
Working Paper
, Title:

Helicity-Synchronized Interactions Drive Periodic Phase Transitions in Nanoscale Assemblies

, Authors: Daniel C. Redeker, Zohar A. Arnon, Tobias Dwyer, Daniel McKeen, Dayoung G. Lee, Timothy C. Moore, Brian Minevich, Aaron Michelson, Jason S. Kahn, Sharon C. Glotzer, Oleg Gang
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-cz9cp
 
Subject: Chemistry
,
Working Paper
, Title:

Cycloaddition-photochemical rearrangement stereocenter relay for the synthesis of x, y, z cage vectors

, Authors: Zoltán Novák, János Csenki, Eszter Nagy, János Kele-Jókuthy, Anna Kiss-Szemán, Veronika Harmat
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-7ztsk
 
Subject: Chemistry
,
Working Paper
, Title:

Metal–Polymer Soft Framework Ion Gels: Linking Coordination Chemistry to Macroscopic Elasticity

, Authors: Yoshika Kimura, Asuka Murao, Noboru Osaka, Yuji Kamiyama, Takeshi Ueki, Kenta Fujii
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-bcffq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Activity of TEM β-Lactamases is Modulated by Ligand Sidechain Conformation During Evolution of Antibiotic Resistance

, Authors: Mirjam A. Schulz, Jacek Kozuch
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-9tlxj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Using RMG Out-of-the-Box for Formic Acid Pyrolysis and Oxidation

, Authors: Alon Grinberg Dana, Jintao Wu
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-4pdlb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Categorical Fragmentation Networks in Tandem Mass Spectrometry: Phase-Lock Topology and Entropy-Intensity Relations in Small Molecule Fragmentation

, Authors: Kundai Sachikonye
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-gd8pr
 
Subject: Chemistry
,
Working Paper
, Title:

A First-Principles Framework for the Rigorous Definition of Chemical Bonds and Molecules via FCC-Constrained Equilibrium Radii

, Authors: Jia Qiu
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-dx68h
 
Subject: Chemistry
,
Working Paper
, Title:

Near Infrared IndoCyanine Green Fluorescence Lifetime Signatures as Biomarkers for Cervical Cancer Progression

, Authors: Rinat Ankri, Neelima Chacko, Helena Tuchinsky
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-sdhdg
 
Subject: Chemistry
,
Working Paper
, Title:

Designing antibiotics with inherent resistance to efflux as a transformative strategy to revive discovery against multidrug resistant pathogens

, Authors: Mark Laws, Charlotte Hind, Kazi Nahar, Melanie Clifford, Caleb Marsh, Manming Xu, Saleh alyemni, Shozeb Haider, Mushtaq Hassan, Nupur Gargate, Matthew Wand, Mark Sutton, Khondaker Miraz Rahman
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-gsw00-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistically Guided Functionalization of α,α-Disubstituted Alkenyl Amides Enabled by a Conformationally Flexible Directing Auxiliary

, Authors: Al Vicente Riano Lisboa, Phornphan Yongpanich, Shijia Li, Ruchira Hariharan, Yilin Cao, Yang Gao, John Gurak, Pavel Mykhailiuk, Donna Blackmond, Peng Liu, Keary Engle
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-bsn9s
 
Subject: Chemistry
,
Working Paper
, Title:

Nature-Inspired Continuous N-C Chain Elongation Enables Sustainable Peptide Synthesis

, Authors: Jingjun Yin, Ji Qi, Zhiyan Song, Jin Zhang, Enkai Wang, Yang Cao, Xiao Wang, Fangzhou Xie, Baoqiang Wan, Qixue Yuan, Liwen Xu, Chunrui Sun, Hongming Li, Kai-Jiong Xiao, Shishi Lin, Gao Shang, Lu Wang, Jing Xu, Jiwen Jiang, Xiupeng Duan, Donghong Li, Mengli Zhang, Haijiang Nan, Fang Wang, Minyi Feng, Guiquan Liu, Louis-Charles Campeau
Version undefined posted 16 December 2025
Posted
Dec 16, 2025
10.26434/chemrxiv-2025-9zf56
 
Subject: Chemistry
,
Working Paper
, Title:

A High-affinity but Low-abundance Kanamycin Aptamer Reveals Hybridization-limited Capture-SELEX

, Authors: Yuzhe Ding, Qingyu Chen, Yicheng Heng, Emily Hoi Pui Chao, Yunus A. Kaiyum, Philip E. Johnson, Juewen Liu
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-jp30r
 
Subject: Chemistry
,
Working Paper
, Title:

Shaping a Predictive Model for the Organocatalytic Ring-Open Polymerization Ability of Cyclic Carbonate Monomers

, Authors: Alba Villar-Yanez, Claudio Manservisi, Davide Rigo, Natalia Kulbacka, Carles Bo, Arjan Kleij
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-3xlnv
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Jackhammers Induce Intracellular Calcium Release and Skeletal Muscle Contraction by Vibronic-Driven Action

, Authors: Yuchen Rui, Bowen Li, Vardan Vardanyan, Soonyoung Kim, Dallin Arnold, Jacob L. Beckham, Ciceron Ayala-Orozco, Ana L. Santos, Gautam Chaudhry, Lixin Zhou, Shichen Xu, Tengda Si, Zicheng Wang, Angel A. Martí, Anatoly Kolomeisky, Jacob T. Robinson, James Tour
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-b14pn
 
Subject: Chemistry
,
Working Paper
, Title:

Time-Resolved Dynamics of Nitrate Electroreduction on Silver

, Authors: Gabriel Floriano Costa, Jaxiry Barroso-Martinez, Dídac Armand Fenoll Silvestre, Max García-Melchor, María Escudero-Escribano
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-v4rj1
 
Subject: Chemistry
,
Working Paper
, Title:

Unforgeable Red: Design and Application of SO-annulated Perylene Diimides for Anti-counterfeiting

, Authors: Pablo Simón Marqués, Sandra Pérez-Domínguez, Nicolas Bréfuel, So Ueno, Nathalie Saffon-Merceron, Hiroko Yamada, Claire Kammerer
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-b8p41
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Reactor Batch Scheduling Strategies for Pharmaceutical Production Under Uncertainty: A Comparative Statistical and Machine Learning Analysis

, Authors: Anfal Rababah
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-20lvd
 
Subject: Chemistry
,
Working Paper
, Title:

Detection of Gas Bubbles and Local Voids in Molecular Simulations using burbuja

, Authors: Abraham Muniz-Chicharro, Lane Votapka, Rommie Amaro
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-rxpnd
 
Subject: Chemistry
,
Working Paper
, Title:

Transient Bis(Carboranyl)boryl Anions

, Authors: Kanika Vashisth, Ragene Thornton, Bohak Yoon, Caleb Martin
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-04xgt
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement

, Authors: Leonard Dick, Richa Rashmi, Henry Agnew, Suman Saha, Xuanyu Zhu, Barbara Kirchner, Francesco Paesani
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-3znm9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Hydration Free Energy Calculations for Diverse Organic Molecules With a Machine Learning Force Field

, Authors: Xiaowei Xie, John L. Weber, Mats Svensson, Ryne C. Johnston, Edward D. Harder, Leif D. Jacobson
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-p7r0r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Elastic Tensors from Pairwise Energy Frameworks in Molecular Crystals

, Authors: Blake Armstrong, Peter Spackman
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-2qh1h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Dielectric Properties of Disordered Crystalline Materials: A Computational Case Study on Hexagonal Ice

, Authors: Zahra Tohidi Nafe, Adam Madarasz
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-qb51j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Multifidelity Monte Carlo Approach for Simulating the Diffusion Coefficient of Water. I. Forward Problem

, Authors: Tom Frömbgen, Allan Kuhn, Jürgen Dölz, Barbara Kirchner
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-r9jx9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

From Intermolecular Poses to Thermodynamics using Subdivided Spheres

, Authors: Isabel Vinterbladh, Jordan Bye, Robin Curtis, Harold W. Hatch, Sergei Grudinin, Mikael Lund
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-0bfhd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Foundation Model for Accurate Atomistic Simulations in Drug Design

, Authors: Thomas Plé, Olivier Adjoua, Anouar Benali, Evgeny Posenitskiy, Corentin Villot, Louis Lagardère, Jean-Philip Piquemal
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-f1hgn-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Singlet oxygen and triplet excited state organics produced by primary biomass burning organic aerosol from wood, dung, straw and plastic fuels: Role of solvent-dependent photochemistry

, Authors: Claudia Sardena, Keighan Gemmell, Jun Zhang, Feng Jiang, Harald Saathoff, David Bell, Nadine Borduas-Dedekind
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-pzww4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Iron-catalyzed Hydrodefluorination of Polyfluorinated Arenes: Wide Bite-Angle Phosphine Ligands Lead to High Defluorination Degree and Broad Substrate Scope

, Authors: Diksha Sharma, Rebeca Arevalo
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-4599v
 
Subject: Chemistry
,
Working Paper
, Title:

Alkali Metal Cation Effects for Rapid C–H Activation by Iron(0) Complexes

, Authors: Nereida Hidalgo, Kendal Southwell, Ryan Donnelly, Brandon Mercado, Sebastian Krajewski, Xiaoping Wang, Patrick Holland
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-1jw20
 
Subject: Chemistry
,
Working Paper
, Title:

Protein Language Model Embeddings Distinguish Catalytic from Structural Zinc-Binding Sites with Interpretable Attention Signatures

, Authors: Karen Sargsyan
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-sfn7n
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Hückel Molecular Orbital Energies Through Variational and Phase Estimation Quantum Algorithms

, Authors: Da Bean Han, Kang-Min Hu, Hyang-Tag Lim, Hyun Woo Kim
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-07mps
 
Subject: Chemistry
,
Working Paper
, Title:

An approximate analytical solution for binary composite dissolution

, Authors: Raghavendra Ragipani
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-wmbb2
 
Subject: Chemistry
,
Working Paper
, Title:

Fused Rubrene Derivatives with Embedded Seven-membered Rings: Curvature-dependent Photophysical and Semiconductor Properties

, Authors: Masato Hisada, Kirill Bulgarevich, Yusuke Tsutsui, Kiyoshi Miyata, Daiki Shimizu, Shu Seki, Kazuo Takimiya, Kenji Matsuda
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-21lr9
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel Outperforms Palladium in Suzuki-Miyaura Cross-Coupling: A Machine Learning Analysis of Five Metal Catalysts

, Authors: Kushal Raj Roy
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-8khr8
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic Simulations of CO2 Absorption in Aqueous 2-Amino-2-Methyl-1-Propanol Solutions Using Transition State Theory

, Authors: Toru Yamaguchi, Hidetaka Yamada, Shohei Sanada, Kenji Hori
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-dgtpc
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Guided Catalyst Selection Reveals Nickel's Advantages Over Palladium in Suzuki-Miyaura Cross-Coupling

, Authors: Kushal Raj Roy
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-9tpkv
 
Subject: Chemistry
,
Working Paper
, Title:

Dataset of Optimized Structures of Aliphatic Chains Chemisorbed on Si(110) and Si(111) Surfaces via First-Principles Methods

, Authors: Sara Marchio, Francesco Buonocore, Simone Giusepponi, Massimo Celino
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-5v490
 
Subject: Economics
,
Working Paper
, Title:

Pattern Recognition of Aluminium Arbitrage in Global Trade Data

, Authors: MUHAMMAD SUKRI BIN RAMLI
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.33774/coe-2025-9hwwp
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehending the Single-Electron Reactivity of First-Row Transition Metals – a Computational Group 10 Case Study

, Authors: JD Rolfes
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-g4kp8
 
Subject: Chemistry
,
Working Paper
, Title:

Graph-Based Internal Coordinate Analysis for Transition State Characterisation

, Authors: Alister S. Goodfellow, Bao N. Nguyen
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-k69gt
 
Subject: Chemistry
,
Working Paper
, Title:

A General Synthetic Approach for Polymethine Modified Trimethine Cyanines Gives Access to Viscosity Sensitive Probes

, Authors: Mohan Kodisana, Ismael Elayan, Macarena Nehme, Hadi Arman, Alex Brown, Syed Muhammad Usama
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-v9584
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistic Light Harvesting and Catalysis in a Photoactive π-Scaffolded Covalent Organic Framework–Re Hybrid for CO2-to-CO Photoreduction

, Authors: Tsukasa Irie, Kohki Sasaki, Yuki Tomoyasu, Kai Sun, Sourav Ghosh, Mika Nozaki, Shiho Tomihari, Tokuhisa Kawawaki, Ranjit Thapa, Yu Zhao, Saikat Das, Yuichi Negishi
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-gx931
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A New theory for Description of Accelerated Expansion of the Universe, the Origin of CMB Radiation and its Anisotropies

, Authors: Abolfazl Soltani
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.33774/coe-2025-sfv3z-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Correlation Between Gravitational Constant and Distance from Matter

, Authors: Abolfazl Soltani
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.33774/coe-2021-wh659-v11
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Bridging Electrodynamics and Gravitation Equivalence principle and the conservation laws

, Authors: Stefano Quattrini
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.33774/coe-2025-33jpn
 
Subject: Chemistry
,
Working Paper
, Title:

Influences of Alkali Metal Cation Interactions on N2 Coordination to Iron(I) Beta-Diketiminate Complexes in Electrolyte Solutions

, Authors: Ryan Walser-Kuntz, Chandler Woo, Patrick Holland
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-f6j8x
 
Subject: Chemistry
,
Working Paper
, Title:

Interpretable Bayesian Optimization for Catalyst Discovery

, Authors: Akhil S. Nair, Lucas Foppa, Matthias Scheffler
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-p5cxv
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of Novel Celecoxib Polymorphs Using AIMNet2 Machine Learning Interatomic Potential

, Authors: Peikun Zheng, Yuriy Abramov, Changquan Calvin Sun, Olexandr Isayev
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-nhmr1
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic Structure of GNNQQNY Nanocrystals: A Validated Approach for Polymorphic Amyloids

, Authors: Aditya Mishra, Ravi S. Palani, Robert G. Griffin
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-70r6v
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-responsive Hydrogels for Compensated Biomedical Glucose Sensors

, Authors: Jonathan Grubb, Saeed Boroomand, Swomitra Mohanty, Jules Magda, Lars Laurentius, Florian Solzbacher, Christopher Reiche, Simon Binder
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-gc4tv
 
Subject: Chemistry
,
Review
, Title:

Chemistry, biological relevance and assessment of root exudates in Legume species

, Authors: Natália Naomi Kato, Adriana Giongo, Priscilla Zamberlan, Khabat Vahabi, Monica Barman, Eleonora Rolli, Rita Grosch, Norberto Lopes, Nicole van Dam, Paula Bueno
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.26434/chemrxiv-2025-69vbw
 
Subject: Politics and International Relations
,
Working Paper
, Title:

When are Junctures Critical? The Legacies and Non-Legacies of the Suppression of Local Self-Government

, Authors: Daniel W. Gingerich, Jan P. Vogler
Version undefined posted 17 December 2025
Posted
Dec 17, 2025
10.33774/apsa-2023-m7x2m-v6
 
Subject: Chemistry
,
Working Paper
, Title:

An Algebraic-Quantum Perspective on Atomic Shell Structure: The m-Squared Identity and Chemical Periodicity

, Authors: Osman Sualihu
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-303j8
 
Subject: Chemistry
,
Working Paper
, Title:

Targeting Highly Reactive Oxygen Species (hROS) for Prodrug Activation through a Cascade Reaction with Kinetic Tunability (CReKT) to Effect Linker Cleavage

, Authors: Shameer M. Kondengadan, Shubham Bansal, Wen Lu, Manjusha Roy Choudhury, Binghe Wang
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-0rtvj
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-Function Electrochemical Cell for Simultaneous Carbon Capture and Lithium Extraction from Saline Waters

, Authors: Omer Shinnawy, Seyyed Arman Hejazi, Kiana Amini
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-7gbwg
 
Subject: Chemistry
,
Working Paper
, Title:

Diastereoselective Synthesis of alpha-Fluoro-gamma-Lactams via Difluorocarbene-Triggered Cyclization and Rearrangement

, Authors: Maryam Jabbarpoor, Yanmei Li, Alex Akhundov, Jesse LeBlanc, Pier Alexandre Champagne, Christine Le
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-fvgrl
 
Subject: Chemistry
,
Working Paper
, Title:

Cation Identity Matters: Thermodynamics of Sodium- vs. Proton-Coupled Electron Transfer Reactions on Ti-oxo Nodes of the Metal–Organic Framework, Ti-MIL-125

, Authors: Anne Martin, Andres Alejo, Nazmiye Gokce Altincekic, Mark Del Campo, Nobuyuki Yamamoto, Miguel Liuzzi-Vaamonde, Nishya Mohamed Raseek, John Peters, Hyunho Noh
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-97fcz
 
Subject: Chemistry
,
Working Paper
, Title:

Antischistosomal Activity of 1,4-Dihydropyridines

, Authors: Thaís Oliveira, Matheus Zago, Yan Robles, Larissa Maciel, Lizandra Magalhães, Antônio Crotti
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-0rlc0
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile and Robust Nickel Single Atom Catalysts

, Authors: Brandon Burnside, Jesse Larence, Ryan Alcala, Stephen Porter, Andrew DeLaRiva, Karl Kharas, Christopher Riley, Angelica Benavideza, Nicholas Jaegers, Geunho Han, Justin Notestein, Siddant Singh, Robert Scot, Lulu Chen, Juan Li, Sen Lin, H Guo, Shan Jiang, Wei-Ling Huang, Jeffrey Miller, Abhaya Datye
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-24clg
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism-Aware Graph Neural Network for Organ-Specific Drug Toxicity Prediction with Explainable Molecular and Pathway Attribution.

, Authors: CHIJIOKE IFEDILI
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-4fdsb
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient binding affinity estimation for fragment-based compounds using a separated topologies approach

, Authors: Ana-Maria Caldaruse, Hannah Baumann, David Mobley
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-smxhs
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Oxidative Cyclization: A General Sustainable Route to Indole-Oxadiazole-2-Amines

, Authors: Sasikumar Kuttappan, Paranjay Parikh, Saurabh Vijay, Gajendrasinh Raolji
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-kwcvn
 
Subject: Chemistry
,
Working Paper
, Title:

Excitation Energies in a Polarizable Environment: A Comparison of State-Averaged and Linear-Response CASSCF/AMOEBA formulations

, Authors: Tommaso Nottoli, Lorenzo Lapi, Giacomo Londi, Filippo Lipparini, Benedetta Mennucci
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-nnc73
 
Subject: Chemistry
,
Working Paper
, Title:

Organophotocatalytic site-selective C–H-alkylation of pyrimidin-2(1H)-ones

, Authors: Viktor Tkachuk, Oleh Lukianov, Stanislav Pridma, Svitlana Shishkina, Igor Pervak, Mykhailo Vovk, Dmytro M. Volochnyuk, Serhiy V. Ryabukhin, Volodymyr Sukach
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-r00p4
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Analysis of the Physical and Biomedical Properties of the Avocado Seed

, Authors: Kiarelis López Soto, Adriana López Acevedo, Arianna Altiery Vélez, Valeria Toledo Rodríguez, Andrea López Espinosa, Melanie Ramos Reyes, Andrés Moya Rodríguez, Carmen Vega Olivencia
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-nr49l
 
Subject: Chemistry
,
Working Paper
, Title:

Geological electrons for CO2 reduction to formate and beyond

, Authors: Yifan Gao, Ming Lei, Hanglong Wu, Jakob Nielsen, Haihui Lan, Yaoshen Niu, Shipeng Jia, Hugh Smith, Bachu Sravan Kumar, Willem Vanmoerkerke, Zhen Zhang, Tao Dai, Ju Li, Iwnetim Abate
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-7xwt2
 
Subject: Chemistry
,
Working Paper
, Title:

α-Fluoroalkyl-Substituted Cyclopentane Building Blocks for Drug Discovery

, Authors: Bohdan V. Bobovskyi, Oleksandr P. Demchuk, Bohdan S. Sosunovych, Bohdan V. Vashchenko, Dmytro Lesyk, Kostiantyn P. Melnykov, Petro Borysko, Igor I. Gerus, Oleksandr O. Grygorenko
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-t3xgn
 
Subject: Chemistry
,
Working Paper
, Title:

Continuous Dehydrogenation of Perhydro Benzyltoluene in a Three-phase Stirred Tank Slurry Reactor

, Authors: Elisabeth Herzinger, Jona Berger, Moritz Wolf
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-s93c3
 
Subject: Chemistry
,
Working Paper
, Title:

Humidity-driven swelling and mass transfer in amine-functionalised resins for direct air CO₂ capture

, Authors: Katia Piscina, Mijndert van der Spek, John Young, Susana Garcia
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-j680k
 
Subject: Chemistry
,
Working Paper
, Title:

Surface Functionalities, Speciation and Strength of Brønsted Acid Sites from a 31P–109Ag NMR Tag

, Authors: Weicheng Cao, Merlin Z. Seidel, Charles Sidhoum, Christophe Copéret
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-j178m
 
Subject: Chemistry
,
Working Paper
, Title:

R²GB-GA: A Reaction-Regulated Graph-Based Genetic Algorithm for Exploring Synthesizable Chemical Space

, Authors: Sung Wook Moon, Se Hwan Ahn, Jin Hee Ahn, Hyun Woo Kim
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-x5wt5
 
Subject: Chemistry
,
Working Paper
, Title:

j-IR-vis: Vision model for Infrared spectroscopy embeddings

, Authors: Rudra Sondhi, Edwin Chacko, Rodrigo Alejandro Vargas Hernandez
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-d0j2v
 
Subject: Mathematics
,
Working Paper
, Title:

All orbits of the collatz map attain the trivial cycle 4 2 1

, Authors: Dylan MOTIMBA
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-z482f
 
Subject: Statistics and Probability
,
Working Paper
, Title:

Pattern Recognition of Ozone-Depleting Substance Exports in Global Trade Data

, Authors: MUHAMMAD SUKRI BIN RAMLI
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-jh4rc
 
Subject: Philosophy
,
Working Paper
, Title:

Ontomathematical Postmodernity II. “The Name of the Rose” and the Third Dimension of Human Experience: Philosophical Semiotics and Hermeneutics, or Linguistic Turn versus the unwritten “Being and Language”

, Authors: Vasil Penchev
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-hn1t6
 
Subject: Chemistry
,
Working Paper
, Title:

Membrane-free electrolysis for low-voltage co-production of hydrogen and 2,5-furandicarboxylic acid

, Authors: Charles E. Creissen, Lewis Cousins
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-f31c3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Characterization and Process Evaluation of an Amine Grafted Monolith for Temperature Vacuum Swing Adsorption-based Direct Air Capture

, Authors: Shanmuk Ravuru, Sri Harsha Nistala, James Sawada, Arvind Rajendran
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-82rrp
 
Subject: Chemistry
,
Working Paper
, Title:

Traceless Peptide Backbone Editing via Bio-inspired Cysteine to Thiazole Conversion

, Authors: Sen Zhang, Hongye Wang, Ashvin Nair, John Qiu, William Bancroft, Meg Shieh, Luofan Peng, Ming Xian
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-b12sb
 
Subject: Chemistry
,
Working Paper
, Title:

Ab Initio Polariton Spectra of ZnTPP Molecules Collectively Coupled inside an Optical Cavity

, Authors: Braden Weight, Aaron Rury, Yihan Shao, Pengfei Huo
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-r98bz
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a C5-Azidoacetamide-modified 4-Amino-2,3-difluorosialic Acid Activity-based Probe for Labelling of Influenza A Neuraminidases

, Authors: Lemeng Chao, Erianna Alvarado-Melendez, Katherine Marougka, Xuesheng Wu, Cornelis de Haan, Karin Strijbis, Tom Wennekes
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-c2rfz
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly of linear three-ring aromatic thiols on Au(111)

, Authors: Verena Müller, Anna-Laurine Gaus, Daniel Hüger, Julian Picker, Christof Neumann, Max von Delius, Andrey Turchanin
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-x08bz
 
Subject: Chemistry
,
Review
, Title:

Vision-Language and Multimodal Models for Chemical Analysis: A Comprehensive Survey

, Authors: Haotou Li, Dayuan Chu, Datian Yan, Cuxin Tang
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-6n29g
 
Subject: Chemistry
,
Working Paper
, Title:

Interface Architecture of a VHL-PROTAC Complex With and Without Cullin-2

, Authors: Evan Whitford, Joshua Gilbert, Marius Kostelic, Aaron Ehlinger, Tiffany Thibaudeau, Shaun McLoughlin, Vicki Wysocki
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-nmlgb
 
Subject: Chemistry
,
Working Paper
, Title:

Training Models of Atomic Charge by Predicting a Generalized Force

, Authors: Alexander Davis, Zhibo Wang, Oleksandr Voznyy
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-p3wd5
 
Subject: Chemistry
,
Working Paper
, Title:

Density Functional Theory Study on the Van Der Waals and Basis Set Effect of Halogen Binding in Hypervalent Iodine Macrocycles

, Authors: Grayson Venus, Krishna Pandey, Kyle Plunkett, Lichang Wang
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-k67cg
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the PFAS helix: A statistical approach

, Authors: Pranoy Ray, Haden Cavalli, Kevin D. Tynes, Gashaw Bizana, Andrew R. Castillo, Shubham Vyas, Ronald L. Siefert, Surya R. Kalidindi, Manoj Kolel-Veetil
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-2zh3v
 
Subject: Chemistry
,
Working Paper
, Title:

Precision Labeling of Native Antibodies with Lock Coupling

, Authors: Yazhi Liu, Isha Nadig, Abijeet Mehta, Shih-Wei Chuo, Yen Ho, James Tyler, Charles Craik, Mekhail Anwar, Bruce Cohen
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-1hmzh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic Monte Carlo Framework for Coupled Degradation and Dehydration of Anion Exchange Membranes

, Authors: Esteban D. Gadea, Shakkira Erimban, Ignacio J. Bombau, Damian A. Scherlis, John J. Karnes, Valeria Molinero
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-mcxm2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Computing-Powered Quantum Biosensor for Single-Molecule Measurement at the Point-of-Care

, Authors: Wei Liu, Xianli Gong, Yingying Wang, Fujin Lv, Wenhao Shan, Siyu Zhao, Lu Ding, Yu Peng, Qiuyue Wu, Tiantian Man, Sheng-Yuan Deng
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-mzqvj
 
Subject: Chemistry
,
Working Paper
, Title:

Charge-Mixing in Cationic Nanogels: A Dual-Way Regulation for Overcoming the Efficiency-Toxicity Delivery Dilemma

, Authors: Yifan Gao, Yilei Yu, Yuening Qiu, Fan Du, Shiting Zhang, Rui Gao, Martien A. Cohen Stuart, Junyou Wang
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-t8sdd
 
Subject: Chemistry
,
Working Paper
, Title:

Associative vs. dissociative binding of CO2 on M5 transition metal clusters

, Authors: Nguyen T. T. Le, Alireza Nazari, Yash Rele, Mighila Rixon, Ishudeep Narula, Matthew Addicoat
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-k33ss-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The impact of dendrites and related compositional fluctuations on hydrogen absorption thermodynamics in bcc multi-principal element alloys

, Authors: Veronica Enblom, Fernando Maccari, Franziska Sheibel, Aaron Keith, Vitalie Stavila, Claudia Zlotea, Oliver Gutfleisch, Paul Henry, Martin Sahlberg
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-pnpjr
 
Subject: Chemistry
,
Working Paper
, Title:

Potential advantages for combining DACCS with amine post-combustion capture plants – CoDACCS - and ways to make new plants CoDACCS-ready

, Authors: Lucas Joel, Jon Gibbins, Mathieu Lucquiaud
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-r7vqj
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging active site information for deep learning prediction of enzyme-substrate Michaelis constants

, Authors: Daniil Lepikhov, Laura Sandner, Ariane Nunes Alves
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-vrbqv
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum mechanical calculations on Tryvio drug(DFT)

, Authors: Solaleh Rezaei
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-vd21w
 
Subject: Chemistry
,
Working Paper
, Title:

Charge regulation enables uptake of ampholytes to polyelectrolyte brushes

, Authors: Roman Staňo, Peter Kosovan
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-dh46q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Large-scale collaborative assessment of binding free energy calculations for drug discovery using OpenFE

, Authors: Hannah M. Baumann, Joshua T. Horton, Michael M. Henry, Alyssa Travitz, Benjamin Ries, Richard J. Gowers, David W. H. Swenson, Iván Pulido, Dominic Rufa, David L. Dotson, Nupur Bansal, Joseph P. Bluck, Howard Broughton, Kira Campbell, Lili Cao, Benedikt Frieg, Vytautas Gapsys, Hendrik Göddeke, Marco Klähn, Sirish Kaushik Lakkaraju, Stephanie M. Linker, Thomas Löhr, Aniket Magarkar, Sergio Pérez-Conesa, Hans E. Purkey, Hayk Saribekyan, Jenke Scheen, Christina E. M. Schindler, Thomas Steinbrecher, Chaya D. Stern, Patricia Suriana, William C. Swope, Gary Tresadern, Lev Tsidilkovski, Binqing Wei, Alexander H. Williams, Yao Wu, Ivy Zhang, John D. Chodera, James R. B. Eastwood, David L. Mobley, Irfan Alibay
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-7sthd
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-substituted inorganic-organic hybrid materials for efficient urea-assisted electrocatalytic water splitting

, Authors: Lingshen Meng, Zeyi Zhang, Carlos A. Triana, Aaron A. Schultz, Hang Chen, Dan Zhang, Greta Patzke
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-95vcj
 
Subject: Chemistry
,
Working Paper
, Title:

Biocatalytic Production of a Key Chiral Intermediate of the HIV Capsid Inhibitor Lenacapavir

, Authors: Nicholas Turner, Chris Taylor, Grayson Ford, Amy Hutton, William Birmingham, Fei Zhao, Zefei Xu, William Finnigan, Mary Ortmayer, Colin Levy, Mark Dunstan, Rebecca Crawshaw, Ian Rowles, Anthony Green
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2024-nxd14-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselective Total Synthesis of Two Aromatized Halicyclamines

, Authors: Zackary Firestone, Thiago Grigolo, Filipe Pernichelle, Joel Smith
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-m9ksj
 
Subject: Chemistry
,
Working Paper
, Title:

Systematic disruption of Tyr/Trp pathways amplifies the ROS formation 25-fold in multicopper oxidase

, Authors: Carla Scharbach, Frank Hendrik Pilz, Alexandre Ciaccafava, Patrycja Kielb
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-vzz79-v2
 
Subject: Chemistry
,
Review
, Title:

Zr-Based Metal–Organic Frameworks for Colorimetric Sensing Applications

, Authors: Xinhao Li, Borisov Sergey, Francesco Carraro, Paolo Falcaro
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-23l2z
 
Subject: Chemistry
,
Working Paper
, Title:

Immobilizing photocatalysts in polyampholytic graft copolymers enables prolonged catalyst lifetime and improved repair capability

, Authors: Yurii Utievskyi, Alexander Mengele, Mariet Puthanagady, Nikita Vashistha, Linda Zedler, Christof Neumann, Marius Müssler, Andrey Turchanin, Benjamin Dietzek-Ivansic, Sven Rau, Felix Helmut Schacher
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-tzphq
 
Subject: Mathematics
,
Working Paper
, Title:

Annamalai's Binomial Coefficient, Identities, and Generating Functions

, Authors: Chinnaraji Annamalai
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-2pqr2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Entropy–Anti-Entropy Theory of Everything: A Unified Framework for Gravity, Quantum Mechanics, Thermodynamics, and Cosmology

, Authors: Kumar Raghavendra Narayan
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-r7h1q
 
Subject: Mathematics
,
Working Paper
, Title:

Mathematical Modelling of Deposition and Erosion of Particles in Pipes

, Authors: Sean Bohun, Jake Bowhay, Thuy Duong Dang, Sam Harris, Cameron Hall, Emmanuel Lwele, Brady Metherall, John Christopher Meyer, Philip Pearce, Clare Rees-Zimmerman, Matthew Shirley, Jesse Taylor-West, Alex Trenam, Edwina Yeo, Kieran Quaine
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-95gfz
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Negation of the separatedness-based framework as a methodological principle

, Authors: Bartosz Jura
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-72z1r-v3
 
Subject: Mathematics
,
Working Paper
, Title:

On the Conjugation of Tricomplex Numbers: Algebraic Operations, Moduli, and Decompositions

, Authors: JOGENDRA KUMAR
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-c68nf
 
Subject: Mathematics
,
Working Paper
, Title:

Sums of two squares of primes in short intervals

, Authors: Runbo Li
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-15m3h
 
Subject: Mathematics
,
Working Paper
, Title:

Combinatorial Geometric Series and Generating Functions

, Authors: Chinnaraji Annamalai
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-pzrfs
 
Subject: Computer Science
,
Working Paper
, Title:

Development of an Information System for Teaching the Fundamentals of Tactical and Technical Characteristics of Small Arms

, Authors: Timur Karamov
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-cx421
 
Subject: Mathematics
,
Working Paper
, Title:

CANTOR'S ARITHMETIC OF TRANFINITE NUMBERS, READ TODAY Mathematics is freedom, Physics and Philosophy are not

, Authors: Pier Sandro Scano
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-1kc6c
 
Subject: Mathematics
,
Working Paper
, Title:

Algebraic Structure and Classification of Idempotents in Multicomplex Spaces C_n

, Authors: JOGENDRA KUMAR
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.33774/coe-2025-2fl5x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Density Functional Theory Surrogate Enables Fast and Broad Computational Evaluation of Homogeneous Transition Metal Catalytic Energy Landscapes

, Authors: Daniel H. Ess, Kevin P. Quirion, Wang-Yeuk Kong, Britton Stanley, Jyothish Joy
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-z1s3s
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistically Constrained Multi-Fidelity Scaling Enables Accurate 100 m³ Fermentation Predictions from Only Three Calibration Volumes

, Authors: Babaa Moulay Rachid, Otabek Atabaev
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-jkpqm
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalization-Induced Solubility Collapse and Kinetic Partitioning Govern CNT Core-Shell Inversion in UHMWPE Microspheres

, Authors: Moulay Rachid Babaa
Version undefined posted 18 December 2025
Posted
Dec 18, 2025
10.26434/chemrxiv-2025-tsgml-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The role of ring puckering and non-covalent interactions in the conformational chirality of 2,5‑diketopiperazines with identical residues: A theoretical study

, Authors: Elena Zerbato, Thomas Bürgi, Ariel Francis Perez Mellor
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-tqjt3
 
Subject: Mathematics
,
Working Paper
, Title:

Annamalai’s Combinatorial System and Generating Functions

, Authors: Chinnaraji Annamalai
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-b68db
 
Subject: Mathematics
,
Working Paper
, Title:

2-adic Twist Determinant Theorem for Weighted GCD Matrices: Introducing the Sakib Index and a Parity-Twisted Smith-Type Factorization

, Authors: S M Nazmuz Sakib
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-20lgq
 
Subject: Mathematics
,
Working Paper
, Title:

Combinatorial Geometric Series and Negative Binomial Theorem: A Methodological Advance

, Authors: Chinnaraji Annamalai
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-k36xf
 
Subject: Computer Science
,
Working Paper
, Title:

Proof of Parallels on Computational Problem Resolution

, Authors: Mirzakhmet Syzdykov
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-cfzxs-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Bose-Einstein distribution in RH = ct black hole horizon–driven, non–adiabatic cosmology

, Authors: Espen Haug
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-vz0fx
 
Subject: Mathematics
,
Working Paper
, Title:

Combinatorial Geometric Series and Negative Binomial Theorem: A Methodological Advance

, Authors: Chinnaraji Annamalai
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-3smks
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The seven-dimensional universe

, Authors: Sasidhar Kesanasetty
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2022-68929-v65
 
Subject: Mathematics
,
Working Paper
, Title:

Combinatorial Geometric Series and Negative Binomial Theorem: A Methodological Advance

, Authors: Chinnaraji Annamalai
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-sk8qk
 
Subject: Mathematics
,
Working Paper
, Title:

A Constructive Differential Algebraic Framework for Nonlinear Real-Order Multivariate Integral Equations:Explicit Solutions Through Exterior Integration and Combinatorial Analysis

, Authors: shifa liu
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-f7zxc
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Quantum Vacuum Universe: Linear and Nonlinear Effects of Quantum Vacuum Composite Stiffness

, Authors: RANDALL SIMPSON
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-6kz5s-v3
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

A Universal Three-Regime Sequence in Galaxy Dynamics Predicted by a Quantum Vacuum Composite Stiffness Response

, Authors: RANDALL SIMPSON
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.33774/coe-2025-h5pjm
 
Subject: Chemistry
,
Working Paper
, Title:

Visible Light-Promoted Thiobenzoic Acid-Catalyzed Deuteration of Alkylamines and Alkylarenes

, Authors: Xia Huang, Jian Jin
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-xtsvm
 
Subject: Chemistry
,
Working Paper
, Title:

Coherent Spin Dynamics in Magnesium-Dependent ATPase: A Theoretical Limit Analysis of the Magnetic Isotope Effect

, Authors: Artem Borozentsev
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-gp6pp
 
Subject: Chemistry
,
Working Paper
, Title:

Corrections to the Activation Energy Barrier Allow Classical Nucleation Theory to Better Predict Phase Change Kinetics in Colloidal Hard Spheres and Beyond: The Role of Thermodynamic Reference States

, Authors: Peter Skrdla
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-cwqns
 
Subject: Chemistry
,
Working Paper
, Title:

A Modular Post-Polymerisation Route to Aminated Polybutadienes for Electrochemical CO2 Valorisation

, Authors: Maartje Otten, Weizhe Zhang, Luke Adams, Jeroen Huis in t'Veld, Pieter Bruijnincx, Arnaud Thevenon
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-84kng
 
Subject: Chemistry
,
Working Paper
, Title:

Protein structures identified in a helicoidal microtrichium of a European hornet hindwing via high-resolution microscopic infrared spectroscopy

, Authors: Hisako Sato, Kazuhiko Abe, Sayako Inoué, Akihiko Yamagishi
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-mqmqb
 
Subject: Chemistry
,
Review
, Title:

Direct electrochemistry of enzymes that use and produce solar fuels: hydrogenase, formate dehydrogenase, CO-dehydrogenase and nitrogenase

, Authors: Vincent Fourmond, Andrea di Giuliantonio, Miriam Malagnini, Laura Opdam, Nils Ostermann, Sophie Webb, Ross D. Milton, Christophe Léger
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-q3f4b
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding loss pathways in a photochemical reaction network

, Authors: Alexander Eith, Jacob Schneidewind
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-s3vb1
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox and CO2-catalyzed Deep Skeletal Remodeling via Merged C–H and C–C Bond Cleavages

, Authors: Kun-Long Song, Quentin Ordan, Maurice Médebielle, Jérémy Merad
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-lhdmz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Upscaling the fabrication of rod-shaped microgels: a microfluidic method combining step-emulsification with consecutive droplet confinement in parallelized microchannels.

, Authors: Matthias Mork, Ninon Möhl, Greta Romahn, Laura De Laporte
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-m840l
 
Subject: Chemistry
,
Working Paper
, Title:

A Photocatalytically Active Rotaxane Mimicking Photosystem I

, Authors: Marius Müßler, Mohini Semwal, Konstantinos Pantelis Zois, Louis Blechschmidt, Benjamin Martin Wynn Roberts, Alexander Klaus Mengele, Linda Zedler, Patrick A. Hoffmann, L. Dominik Kapp, Max von Delius, Leticia González, Benjamin Dietzek-Ivanšić, Sven Rau
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-1nsr5
 
Subject: Chemistry
,
Working Paper
, Title:

Oxygen-Inhibition Driven Compartmentalization of Dextran Microgels: Towards Fusible Colloidal Biomaterial Inks for 3D Printing

, Authors: Selin Bulut, Thomas Bissing, Tudor Lile, Daniel Günther, Cédric Bergerbit, Dan Eugen Demco, Laura De Laporte, Andrij Pich
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-700m9
 
Subject: Chemistry
,
Working Paper
, Title:

Geminal Difunctionalization of Ketones via C–S Bond Insertion of Photogenerated Donor–Donor Diazo Compounds

, Authors: Vincent George, Aryaman Pattanaik, Daniel Maddox, Lukas M. Sigmund, Giovanna Mejia, Sara Pahlén, Simon Angerer, Maria Schmoll, Lisa Marie Schneider, Nidhal Selmi, Mikhail Kabeshov, Giulia Bergonzini, Julia Rehbein, Burkhard Koenig
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-j6p2h
 
Subject: Chemistry
,
Working Paper
, Title:

Laser-Induced-Structural Transformation in Ti3CNTx MXene Monitored by Raman Spectroscopy with DFT Insight

, Authors: Subrata Ghosh, Narayan N. Som, Muhammad Abiyyu Kenichi Purbayanto, Dorota Moszczyńska, Anna Wójcik, Carlo S. Casari, Agnieszka Jastrzębska, Madhurya Chandel
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-jhpdt
 
Subject: Chemistry
,
Working Paper
, Title:

Lithium Nuclear Spin Polarization Lifetimes as Sensitive Reporters of Battery Electrolyte Degradation

, Authors: Florin Teleanu, Zhiyuan Gao, Alexej Jerschow
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-x58n5
 
Subject: Chemistry
,
Working Paper
, Title:

Compartmentalised Carbonylation Cascade Initiated by Photocatalytic CO2 Reduction

, Authors: Sampurna Mitra, David M. Vahey, Shannon A. Bonke, Erwin Reisner
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-2s9d2
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven Optimization of More Sustainable High Entropy Perovskites for Oxygen Evolution Catalysts

, Authors: Anis Arisa Roslan, Jack Quayle, Yuankai Zhao, Thomas Ashton, Jiacheng Wang, Stuart Bateman, Tu Le, Jawwad Darr
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-x3ktp
 
Subject: Chemistry
,
Working Paper
, Title:

Comparative Evaluation of Molecular Generation Methods for Bioactive Compound Design: A Rigorous Statistical Benchmark Across Drug, Agrochemical, and Small Molecule Datasets

, Authors: Syaiful Bachri Mustamin, Fitri Handayani Hamid
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-t30lx
 
Subject: Chemistry
,
Working Paper
, Title:

Temporal Control over Complex, Simple, and Multiphase Coacervates using Ureolysis and Ammonium Carbonate Decomposition

, Authors: Shana Shirin Valapra, Malak Jaber, Tsvetomir Ivanov, Lucas Caire da Silva, Guillermo Monreal Santiago
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-b6k8m
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Vibes: Preserving Learning While Embracing AI-Assisted Coding in STEM Education

, Authors: Gianmarc Grazioli
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-6v56k
 
Subject: Chemistry
,
Working Paper
, Title:

Looking back and to the future after four-plus years of language in chemistry

, Authors: Glen M Hocky, Andrew D White
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-25m1s
 
Subject: Chemistry
,
Working Paper
, Title:

Preferential Activation of Alkynyl Triisopropylsilanes in Trimethylsi-lanolate-Promoted Sequential Hiyama Cross-Coupling

, Authors: Mitsuhiko Morisue, Yuya Ogawa
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-8wlgn
 
Subject: Chemistry
,
Working Paper
, Title:

Degradation forecasting for accelerated lifetime studies in organic photovoltaics via symbolic regression

, Authors: Qizhen Song, Vincent M. Le Corre, Thomas Heumueller, Huotian Zhang, Zijian Peng, Andreas J Bornschlegl, Xiaoyan Du, Larry Lüer, Christoph J. Brabec
Version undefined posted 19 December 2025
Posted
Dec 19, 2025
10.26434/chemrxiv-2025-nkqnd
 
Subject: Chemistry
,
Working Paper
, Title:

Merocyanine-linked ZwitterIonic Covalent Organic Frameworks

, Authors: Zhechang He, Chenghao Liu, Ting Yu, Junsong Xu, Pierre-Luc Thériault, Mohammad Hossein Gohari, Cory Ruchlin, Yuxuan Che, Hatem M Titi, Stéphane Kena-Cohen, Dmytro F. Perepichka
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-k0r7h
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial Energetics of C2–C18 Aliphatic Moieties on Hydrogenated Si(111) and Si(110) surfaces: a DFT Study

, Authors: Sara Marchio, Francesco Buonocore, Simone Giusepponi, Massimo Celino
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-gdg7z
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalized Thietanes: an Overlooked Class of Building Blocks for Drug Discovery

, Authors: Oleksandr O. Stepaniuk, Oleksii V. Gavrylenko, Bohdan V. Vashchenko, Illia O. Doroshenko, Roman Yu. Sirosh, Volodymyr M. Ogurok, Taras M. Tarasiuk, Vitaliy V. Volosiuk, Dmytro Lesyk, Yuliia Holota, Petro Borysko, Serhii Zhersh, Andriy O. Tolmachov, Oleksandr O. Grygorenko
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-scr74
 
Subject: Chemistry
,
Working Paper
, Title:

pH-optimisation of quinone anolyte for efficient aqueous redox flow batteries and solar integration

, Authors: Joao Otavio Mendes, Rasmus Svejstrup Nielsen, Tobias Høyrup Hemmingsen, Thomas K. Rønne-Nielsen, Susanne L. Mossin, Ole Hansen, Peter Christian Kjærgaard Vesborg
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-8phqv
 
Subject: Chemistry
,
Working Paper
, Title:

Bimetallic nanoparticles for the treatment of bacterial biofilm associated infections

, Authors: Eva María Arroyo-Urea, Aitor Herraiz, Lucía Gutiérrez, Marta Leo, Junkal Garmendia, Rafael León, Ana Quelle-Regaldie, Alba Pensado-López, Marta Oteo, Víctor Manuel Luján-Rodríguez, Miguel Ángel Morcillo-Alonso, Fernando Herranz, Ana Gonzalez Paredes
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-lnn2f
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Interfacial Structure: Ion Transport Mediates Cation Effects in Electrochemical Nitrate Reduction

, Authors: Madeline A. Murphy, Kara D. Fong
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-1w24v
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular recognition-driven reaction-based sensing of catecholamines in a lipid nanoreactor

, Authors: Bohdan Kozibroda, Jean-Marie Lehn, Andrey Klymchenko
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-qn6mg
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring pathways towards high conductivity in solid composite electrolytes: a multiscale perspective

, Authors: Melania Kozdra, Laura Hölzer, Daniel Brandell, Andreas Heuer
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-kxkz2
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational origins of dipeptide phase properties

, Authors: Hamish W. A. Swanson, Dhwanit R. Dave, Tell Tuttle, Rein V. Ulijn
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-prg4p
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Stiffness Ratio Governs the Glass Transition in Branched Polymers

, Authors: Michael Dearman, Nduka Ogbonna, Parikshit Guragain, Tharushi Weerakoon, Andrew J Peters, JIMMY LAWRENCE
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-x91gt
 
Subject: Chemistry
,
Working Paper
, Title:

Antimicrobial Peptide Activity in Lipid Bilayers with Smooth-Type Lipopolysaccharides

, Authors: Wakana Hashimoto, Nanami Takeuchi, Yuki Hagiri, Mana Sato, Ryuji Kawano
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-2lpvw
 
Subject: Chemistry
,
Working Paper
, Title:

Solar Thermoelectric Cells

, Authors: Natalie Y. Baona Tang, Shuyu Xue, Siyuan Wang, Anjun Qin, Kun Zhou, Zheng Zhao, Ben Zhong Tang
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-cvwld
 
Subject: Chemistry
,
Working Paper
, Title:

Disentangling structural patterns in quaternary germanides with materials informatics and exploratory synthesis: RE4IrInGe4 (RE = Y, Ce–Nd, Sm, Gd, Ho–Er) series

, Authors: Anna Ponomarev, Balaranjan Selvaratnam, Emil I Jaffal, Danila Shiryaev, Anton O Oliynyk
Version undefined posted 20 December 2025
Posted
Dec 20, 2025
10.26434/chemrxiv-2025-0744r
 
Subject: Chemistry
,
Working Paper
, Title:

Gradient-Enhanced Genetic Algorithm for Global optimization of Molecular Adsorption on Metal Surfaces

, Authors: Miguel Urbiztondo, Juan Carlos Castro-Palacio, Ricardo Grau-Crespo, Said Hamad
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-50sk7
 
Subject: Chemistry
,
Working Paper
, Title:

Site-Divergent Oxidations within Venerable Macrolide Anti-biotic Scaffolds Unveil Compounds with Broad Spectrum and anti-MRSA Activities

, Authors: Olivia Langner, Bradon Mercado, Sebastian Krajewski, Song Lin, Scott Miller
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-dpvls
 
Subject: Chemistry
,
Working Paper
, Title:

Silicone Phase Behavior Resolves the Softness–Surface Functionality Trade-Off in Emerging Stretchable Electronics

, Authors: Tricia Carmichael, Gloria D'Amaral, Rahaf Hussein, Tiago Gomes, Emily Addison, Jordan Nicholson, Simon Rondeau-Gagné
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-88c7h
 
Subject: Chemistry
,
Working Paper
, Title:

Generation of Hydrophilic – Oleophobic Surface using Fluorocarbon grafting on Hydrogels

, Authors: Arka Roy, Tanima Bhowmik, Nitish Singh, Rajat Phogat, Animangsu Ghatak
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-h961p
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Flow Synthesis of Combinatorial Protein-Length Polyamide Libraries

, Authors: Corey Johnson, Dimuthu A. Vithanage, Gha Young Lee, Bradley L. Pentelute, John S. Albin
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-mn6ct-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Energies for ππ∗ Excited States via Exchange Scaling: the XS-CASSCF method

, Authors: Rene F. K. Spada, Rodolpho L. R. Alves, Silmar A. do Monte, Lachlan Belcher, Ron Shepard, Hans Lischka, Felix Plasser
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-zznzn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Data augmentation in a triple transformer loop retrosynthesis model

, Authors: Yves Grandjean, David Kreutter, Jean-Louis Reymond
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2024-r3x05-v3
 
Subject: Chemistry
,
Working Paper
, Title:

On the role of linker fluorination in the adsorption-induced structural response of CeIV-based Metal-Organic Frameworks

, Authors: Francesca Nerli, Virginia Guiotto, Francesca Nardelli, Andrea Giovanelli, Linda Bizzarro, Federico Zizzi, Matteo Signorile, Marco Geppi, Lucia Calucci, Valentina Crocellà, Marco Lessi, Marco Taddei
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2024-00bk3-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Higher-level Strategies for Computer-Aided Retrosynthesis

, Authors: Jihye Roh, Joonyoung F. Joung, Kevin Yu, Zhengkai Tu, G. Logan Bartholomew, Omar A. Santiago-Reyes, Mun Hong Fong, Richmond Sarpong, Sarah E. Reisman, Connor W. Coley
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-21zvt-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Degradation mechanisms of rutile-type TiO2 photoanodes during photoelectrochemical water splitting

, Authors: Yiqun Jiang, Raquel Aymerich Armengol, Ilias Efthimiopoulos, Martin Rabe, Andrea M. Mingers, Ningyan Cheng, Benjamin Breitbach, Saswati Santra, Verena Streibel, Ian D. Sharp, Lilian Vogl, Christina Scheu, Siyuan Zhang
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-j01vk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A framework for accessing elusive intermediate-sized PdnL2n (n = 8, 9) metal-organic cages

, Authors: Connor Bergin, Daniel Murchie, Stephen Argent, Soumalya Bhattacharyya, Ben Pilgrim
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-c7kv1
 
Subject: Chemistry
,
Working Paper
, Title:

Immersion Freezing at Topographic Active Sites: Dual-Barrier Prediction of Ice Nucleation Temperatures

, Authors: Ingrid de Almeida Ribeiro, Yuqing Qiu, Esteban Gadea, Atanu Metya, Valeria Molinero
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-1j5tn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rethinking the Evidence for a Liquid–Liquid Transition in Water: What Decompression Experiments Really Reveal

, Authors: Rajat Kumar, Ingrid de Almeida Ribeiro, Debdas Dhabal, Valeria Molinero
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-0mqg5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Armstrong's Range Exponent Electron Configuration Model (AREECM)

, Authors: Dylan Armstrong
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-jq84z-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Theory of the Metal Dependence of Electrocatalysis

, Authors: Junghyun Yoon, Martin Z. Bazant
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-8nmpn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding Chemical Resonance in π-Conjugated Systems

, Authors: Dariusz Szczepanik, Pawel Wieczorkiewicz
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-m80qm-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Degradation-assisted doping of organic semiconductors: a strategy towards higher p-doping efficiency enabled by Lewis acids

, Authors: Melissa Berteau-Rainville, Taylor P. L. Cosby, Shubham Bhagat, Amy E. Laturski, Myles Creran, Emanuele Orgiu, Thomas Baumgartner, Christopher B. Caputo, Ingo Salzmann
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-sk168-v3
 
Subject: Chemistry
,
Working Paper
, Title:

A physical approach to prevention of secondary structure interference in oligonucleotide synthesis: memory-less elongation with a nanopore and sub-nm mechanical positioning

, Authors: G Sampath
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-l84j4
 
Subject: Chemistry
,
Working Paper
, Title:

Pressure-Dependent Atomic Properties Extend Classical Hume–Rothery Descriptors for Binary Alloy Mixing Prediction

, Authors: Hari Krishna Reddy, Ariana Dharmendra, Tanmayi Biradar, Annabel Huxley
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-nm5kn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast Dynamics of Photogenerated Carriers in Cerium Oxide Nanoparticles

, Authors: Bach Pham, Natasha W. Pettinger, Bern Kohler
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-4mzld
 
Subject: Chemistry
,
Working Paper
, Title:

Should I Stay or Should I Go – Leveraging an Overlooked Feature of Click-to-Release Chemistry in Affinity Labeling

, Authors: Dóra Kern, Krisztina Németh, Tímea Imre, József Simon, Márton Bojtár, Attila Kormos, Péter Kele
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-gmghk
 
Subject: Chemistry
,
Review
, Title:

ThinkFactory 2025: Community Discussion on Harmonizing and Accelerating Self-Driving Laboratories

, Authors: Thomas Pickles, Sterling G. Baird, Mohammad Salehian, Alastair J. Florence
Version undefined posted 21 December 2025
Posted
Dec 21, 2025
10.26434/chemrxiv-2025-l760l
 
Subject: Chemistry
,
Working Paper
, Title:

Extending QM/GEM Capabilities: Geometry Optimization and Multipoles Applied to Molecular Cooperativity Studies.

, Authors: Jessica Arcudia, Jorge Nochebuena, G. Andrés Cisneros
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-mgngb
 
Subject: Chemistry
,
Working Paper
, Title:

Recycling of waste products during molten salt synthesis of templates for textured ceramics

, Authors: Temesgen Tadeyos Zate, Regina Abdurrahmanoglu, Cenk Abdurrahmanoglu, Elo Overgaard Mogensen, Kyriakos Didilis, Vincenzo Esposito, Astri Bjørnetun Haugen
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-99v6p
 
Subject: Chemistry
,
Working Paper
, Title:

Backbone-Embedded Cation Architecture Suppresses Water Uptake in Anion Exchange Membranes

, Authors: Kaixin Wang, Shakkira Erimban, Auston Clemens, James Oakdale, John Karnes, Valeria Molinero
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-flnl2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insight into Conformational Control of Enzyme Activity by Genetically Encoded Metal-Responsive Switches

, Authors: Payal _, Jonathan Thirman, Katherine A. Edmonds, Sandip Mishra, Nathan Blackwell, Benoit Roux, Yasmine S. Zubi, Jared C. Lewis
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-61n8b
 
Subject: Chemistry
,
Review
, Title:

The Expanding Reactivity of B12 Enzymes: From Mechanistic Understanding to Non-native Biocatalysis

, Authors: Amardeep Kumar, Jared C. Lewis
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-sv6l4
 
Subject: Chemistry
,
Working Paper
, Title:

Taming T-REX: A Canonical Language for Geometry-Aware Generative Design of Transition-Metal Complexes

, Authors: Ilia Kevlishvili
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-7s3gx
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of Commercial Li-Ion 2032 Coin Cells for Non-ambient Temperature Applications

, Authors: Shintaro Inaba, Aaron Dubois, Alex Wuttig, Simon Ji, Eric Novak, Hillary Smith
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-l2ttb
 
Subject: Chemistry
,
Working Paper
, Title:

Hybrid sampling approach to machine-learning potentials for gas adsorption: Hydrogen adsorption in MOF-303

, Authors: Kartik Sau, Ikutaro Hamada, Tamio Ikeshoji, Yiming Lu, Susmita Roy, Shohichi Furukawa, Linda Zhang, Hung Ba Tran, Takahiro Kondo, Hao Li, Shin-ichi Orimo
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-dkt8s
 
Subject: Chemistry
,
Working Paper
, Title:

Tune, extend and narrow the useful dynamic range of cell-free transcription biosensors through programmable DNA-based stem-loop hairpin reporters

, Authors: Joao M. R. Aguiar, Sara Bracaglia, Simona Ranallo, Francesco Ricci
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-lbnpq
 
Subject: Chemistry
,
Working Paper
, Title:

Challenges and Opportunities of Machine Learning Interatomic Potentials in Heterogeneous Catalysis

, Authors: Oliver Loveday, Kamila Kazmierczak, Núria López
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-vk805
 
Subject: Chemistry
,
Working Paper
, Title:

Large-Scale Virtual Screening Identifies Novel Allosteric Modulators of TIMP2: A Computational Approach to Enhancing Neuroplasticity

, Authors: Joshua Curry
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-rq1vl-v7
 
Subject: Chemistry
,
Working Paper
, Title:

PoroNet: An Intrinsically Interpretable Pore Graph Neural Network for Resolving Pore-Level Adsorption in Metal-Organic Frameworks

, Authors: Chao Zheng, Arun Gopalan, Kaihang Shi
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-gc17t-v2
 
Subject: Chemistry
,
Review
, Title:

Autonomous Materials Synthesis Laboratories: Integrating Artificial Intelligence with Advanced Robotics for Accelerated Discovery

, Authors: Lan Duo, Yuze Hao, Jinlu He
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-fk3r7-v2
 
Subject: Management
,
Working Paper
, Title:

DETERMINANTS OF PROJECT SUCCESS:-THE CASE OF ETHIOPIAN ENTREPRENEURSHIP DEVELOPMENT CENTRE [EDC]

, Authors: Gemechis Ejeta Hambisa
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-jmlb5
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamically chiral surfaces using photoresponsive overcrowded alkenes

, Authors: Cristina Nitu, Andrea Minoia, Christophe Lachance-Brais, Kunal Mali, Roberto Lazzaroni, Steven De Feyter, Ben Feringa
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-pxj7x
 
Subject: Chemistry
,
Working Paper
, Title:

Complete Active Space Self-Consistent Field with GPU-Accelerated Density Fitting

, Authors: Ruiyan Wang, Yuanheng Wang, Lixin Lu, Diptarka Hait, Todd Martínez
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-nd968
 
Subject: Mathematics
,
Working Paper
, Title:

Combinatorial System: Binomial Coefficients, CGS and Generating Functions

, Authors: Chinnaraji Annamalai
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-z2nrp-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Life of Cosmos: The Feldt–Higgs Universal Bridge (F-HUB) Theory, Part Two: Measurement Density as the Informational Driver of Cosmic Expansion

, Authors: Waldemar Feldt
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-wv1g6
 
Subject: Mathematics
,
Working Paper
, Title:

Finite-Depth Translation Symmetries on Arithmetic Progressions for the 3n+1 Map

, Authors: Kevin Nwanozie
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-sx6qt
 
Subject: Mathematics
,
Working Paper
, Title:

Combinatorial System: Binomial Coefficients and Generating Functions for Combinatorial Geometric Series

, Authors: Chinnaraji Annamalai
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-9c40h-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Global Fractional Quantization of Particle Multiplets:A Unified Framework under Gauge Constraints and Implications for Composite Weak Bosons

, Authors: shifa liu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-96w60-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Constructive Differential Algebraic Framework for Real-Order Nonlinear Partial Differential Equations

, Authors: shifa liu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-b685d
 
Subject: Mathematics
,
Working Paper
, Title:

Analytic Solutions of Univariate Complex-Power Equations in Transcendental Differential Algebraic Closure

, Authors: shifa liu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-qjx62-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Parameter Optimization for Accurate Coarse-Grained Modeling of Perfluorocarbon Phase Behavior

, Authors: Alireza Mirzaalipoor, Mahsa Nami, Farhad Sharif, Hasssan Ghermezcheshme, Roland N. Netz, Hesam Makki
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-8h3d3
 
Subject: Computer Science
,
Working Paper
, Title:

SmartTutor AI: A Curriculum-Aligned Adaptive Tutoring System with a Structured Evaluation Framework for Scalable Education

, Authors: Viqas Shafi
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-3c4g2
 
Subject: Mathematics
,
Working Paper
, Title:

Recursive Relationships and Closed-Form Expressions in Annamalai’s Combinatorial System: A Framework for Large-Scale Data and Stochastic Modeling

, Authors: Chinnaraji Annamalai
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-dw5k4
 
Subject: Chemistry
,
Working Paper
, Title:

Trialkyl(aryl)silanes as Latent Alkyl Radical Precursors for Giese Reactions via Visible-Light Photoredox Catalysis

, Authors: Wenhan Yang, Zhaoyang Li, Yangyang Shen, Lingyun Yue, Yidong Wang, Muniba Shafique, Yiting Gu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-8wcqx
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Global Fractional Quantization in Condensed Matter Systems: A Unified Framework for Collective Quantum Phenomena

, Authors: shifa liu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-v1hsf
 
Subject: Chemistry
,
Working Paper
, Title:

A Practical and Scalable Enantioselective Synthesis of (S)–Autumnaline

, Authors: Alessandro Brusa, Matteo Bottiglieri, Francesco Feola, Daniele Lanaro, Andrea Bonetti, Gabriella Zappia, Federico Sala, Andrea Gambini, Mario Falzoni, Pietro Allegrini, Maria Luisa Gelmi, Massimiliano Aschi, Andrea Mazzanti, Fabio Pesciaioli, Armando Carlone
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-dblx9
 
Subject: Chemistry
,
Working Paper
, Title:

Python-Based High-Throughput Extraction of Void Information, Solvent Accessible Volume and Adsorbate Molecules from MOF for Adsorption-Separation Applications

, Authors: Mengxuan Zhang, Yujing Guo, Shichen Liu, Huawei Zhou
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-vzv0j
 
Subject: Chemistry
,
Working Paper
, Title:

Hierarchical Tissue-like Material from Nematic Synthetic Colloids with Adaptive Internal Microstructures

, Authors: Chuqiao Chen, Viviana Palacio-Betancur, Nina Chang, Kaitlin Landy, Annie Zhi, Stuart J. Rowan, Juan J. de Pablo
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-5sx27
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

LAW OF UNIVERSAL GRAVITATION WITHOUT GRAVITATIONAL CONSTANT G.

, Authors: Mykola Kosinov
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-tcjtj-v5
 
Subject: Chemistry
,
Review
, Title:

Hacking 3D printers as laboratory robots

, Authors: Sander Baas, Nessa Carson, Vittorio Saggiomo
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-67n0t-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Statistical modelling and optimization for designing renewable energy systems

, Authors: Brady Metherall
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-dmqlj
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Microscopic Theory of Double Rational Quantization in Mirror Nuclei: A Synthesis of Quantum Renormalization Group and Collective Quantization with Fundamental-Constant Connections

, Authors: shifa liu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-326w8
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Site Selectivity in the Phosphorylation of Amphiphilic Diols: Aminopyridine Organocatalysts vs. Stoichiometric Amine Bases

, Authors: Shai Ben Sasson, Noa Naama, Mikhail Kozlov, Ibrahim Amer, Moshe Portnoy
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-bwft1
 
Subject: Mathematics
,
Working Paper
, Title:

Leveraging the Annamalai Coefficient for Optimized Stochastic Modeling in High-Dimensional Network Traffic

, Authors: Chinnaraji Annamalai
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/coe-2025-nhg81
 
Subject: Chemistry
,
Working Paper
, Title:

Access to C-N and N-N Axially Chiral Pyridinones via NHC-Catalyzed Dynamic Kinetic Resolution of Rotationally Restricted Cyclic Imides

, Authors: Sowmya Shree Ranganathappa, Avishek Das, A T Biju
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-j5c5n
 
Subject: Chemistry
,
Working Paper
, Title:

Defects that magnetize beyond monolayer PtSe2

, Authors: Ilias M. Oikonomou, Danielle A. Douglas-Henry, Mohammadreza Daqiqshirazi, Iva Plutnarová, Zdeněk Sofer, Thomas Brumme, Valeria Nicolosi, Thomas Heine
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-8wjb7
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Methodological Proposal for the Formulation, Balancing, and Thermodynamic Validation of Inorganic Reactions

, Authors: Roberto Reinosa Fernández
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-pzwg1
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Mobility-Activity Interplay Between Single Atom Catalysts During Hydrogen Evolution Reaction

, Authors: Mikhail Khrizanforov, Anastasiia Samorodnova, Vladimir Skuratovich, Daria Votkina, Pavel Postnikov, Evgeny Gerasimov, Alexey Galushko, Ruslan Shaydullin, Timur Parshin, Valentine Ananikov
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-8s0tv
 
Subject: Chemistry
,
Working Paper
, Title:

Underestimated Region: Reconstructing High-Order SERS Transitions to Reveal Surface-Complex Formation

, Authors: Ivan Kopal, Matěj Kmetík, Pavel Matějka, Marek Piliarik, Marcela Dendisová
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-6zkd9
 
Subject: Chemistry
,
Working Paper
, Title:

Temporal Programming of Cell-Free Transcription Using Orthogonal Enzyme-Responsive DNA Blockers

, Authors: Jordy Alexis Lerma-Escalera, Juliette Bucci, Ana Urošević, Romain Amador, Gianfranco Ercolani, Francesco Ricci
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-fkrlc
 
Subject: Chemistry
,
Working Paper
, Title:

Abiotic transformation of radiolabelled 6-PPD and 6-PPDQ in water and in presence of nitrogen/air/ozone and light

, Authors: Thorsten Reemtsma, Bettina Seiwert, Pete Yeomans, Rory Mumford, Sara Bennett
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-bkzpj
 
Subject: Chemistry
,
Working Paper
, Title:

Acceptor-doping of lead-free (Ba0.82Ca0.18)(Zr0.08Ti0.92)O3 with Fe induces piezoelectric hardening

, Authors: Anna Margarethe Paulik, Anamaria Mihaljević, Kriti Batra, Arpad Mihai Rostas, Emre Erdem, Jurij Koruza
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-hxjv9
 
Subject: Chemistry
,
Working Paper
, Title:

A Super-Electron-Donor Polymer Enabling a Low-Voltage Anion-Insertion Battery

, Authors: Luisa Rzesny, Aswadh Shyma Sajeevan, Caroline Schmidt, Johannes Lahr, Christoph Lorenz, Mathias Hermann, Stéven Renault, Philippe Poizot, Birgit Esser
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-h1fjg
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Potential Pulses Steer the CO2 Reduction Reaction Selectivity by Surface Reconstruction on Single-Atom Centers of Ti3C2Tx MXene

, Authors: Pablo Lozano-Reis, Kai S. Exner
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-0t3h2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Semi-Hydrogenation and Hydrogenation of Unsaturated Organics over Pd@C: A Universal and Sustainable Route to High-Value Aromatic Derivatives

, Authors: Weidong Liu, Hongmei Yuan, Changyu Weng, Lei Zhou, Jianguo Liu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-w4bts
 
Subject: Chemistry
,
Working Paper
, Title:

AI-Empowered Discovery of the First WRN Degrader for MSI-High Cancer Therapy

, Authors: Quan Xu, Dan Wang, Xiao-Chu Tong, Xu-Tong Li, Yu-Xin Xing, Yin Song, Zhuo-Lin Liu, Xiang-Yang Zhang, Kai-Xian Chen, Yue-Wei Guo, Su-Lin Zhang, Ming-Yue Zheng, Xu-Wen Li
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-pvk2v
 
Subject: Chemistry
,
Working Paper
, Title:

Positive electrochemical potentials induce enhanced chemoselectivity and activity in the thermocatalytic hydrogenation of 3-nitrostyrene

, Authors: Yunfei Jiao, Martina A Pogany, Murielle F Delley
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-q5z1k
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Objective Catalyst Discovery in High-Entropy Alloy Composition Space: The Role of Noble Metals on the Pareto Front for Oxygen Reduction Reaction

, Authors: Mads Kastrup Plenge, Ahmad Tirmidzi, Christian Clausen, Matthias Arenz, Jan Rossmeisl
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-cq92m
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring PadR Proteins for Artificial Enzyme Design

, Authors: Bart Brouwer, Andy-Mark W.H. Thunnissen, Henriette J. Rozeboom, Gerard Roelfes
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-1fl6w
 
Subject: Chemistry
,
Working Paper
, Title:

Naphtyl substituted Carbodiphosphoranes: Synthesis and Reactivity towards CuCl

, Authors: Tobias Dunaj, Istemi Kuzu
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-wppz0
 
Subject: Chemistry
,
Working Paper
, Title:

A mechanomimetic model of skin fibrosis

, Authors: Alberto Pappalardo, Deniz Ornek, Laura Garriga Cerda, Charlotte Yi-Lan Lee, Kristin Myers, Jeffrey Kysar, Hasan Erbil Abaci
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-fslkj
 
Subject: Chemistry
,
Working Paper
, Title:

Template-Controlled Assembly of Zirconium and Hafnium Clusters Featuring Ligand-Directed Photochemical Performance Modulation

, Authors: Wenhao Gao, Mark Gray, Giulia Pellegrino, Ailin Cai, Keni Sha, Haralampos Miras
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-pc2jt
 
Subject: Chemistry
,
Working Paper
, Title:

N-Aryl Acridone Derivatives as Effective Catalysts for Challenging Energy Transfer Reactions

, Authors: Francesco Calogero, Gaetano D'Onghia, Federica Fina, Zakaria Ziani, Luca Sensoli, Andrea Gualandi, Andrea Fermi, Paola Ceroni, Pier Giorgio Cozzi
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-p6whv
 
Subject: Chemistry
,
Working Paper
, Title:

The Impact of Reward Scalarization and Weight Scheduling on Optimization Dynamics in Multi-Objective Molecular Design

, Authors: Lucas Leuschner, Oscar Palomino-Hernandez
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-pmnmb
 
Subject: Chemistry
,
Working Paper
, Title:

A rapid binder discovery workflow for engineering mini-protein degraders

, Authors: Jingzhou Yang, Matthew Styles, Kanokpol Aphicho, Hajime Asada, Shodai Komatsu, Eddy Pineda, Junko Matsuzaki, Kunle Odunsi, Takemasa Tsuji, Bryan Dickinson
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-lbwpt
 
Subject: Chemistry
,
Working Paper
, Title:

Relationship Between Local Disorder and Atomic Motion in an Antiperovskite Solid Electrolyte

, Authors: Megan Murphy, Jeffrey G. Smith, Bernadette Cladek, Sunil Rohit Mair, Ping-Chun Tsai, Yet-Ming Chiang, Jue Liu, Matthew G. Tucker, Donald Siegel, Jordi Cabana
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-dxdtz
 
Subject: Chemistry
,
Working Paper
, Title:

Relevant metal oxidation states of MAO-activated chromium catalysts for ethylene oligomerization

, Authors: Alexander Allgaier, Felix Fischer, Somnath Bhattacharya, Kevin Balliet, Michael R. Buchmeiser, Matthias Bauer, Joris van Slageren
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-k1w5j
 
Subject: Chemistry
,
Working Paper
, Title:

Chlorine Substitution in Disordered Rock Salt Li-rich Transition Metal Sulfides

, Authors: Michael Spencer, Quan Dao, Tae Gyu Yun, Juan Forero-Saboya, German Lavygin, Raj Pandya, Marie-Liesse Doublet, Alexis Grimaud
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-rn6fx
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of Synthetic Carboxylic Acid Aromatic and Aliphatic Ethers to Dissolved Organic Matter Using Liquid Chromatography Tandem Mass Spectrometry

, Authors: Agnes D. Flygare, Lindon W. K. Moodie, Jeffrey A. Hawkes, Alexander J. Craig
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-9gfnx
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Guided Scope Selection to Balance Performance and Substrate Similarity

, Authors: Sven Roediger, Matthew Sigman, Abigail Doyle
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-r0sst
 
Subject: Chemistry
,
Working Paper
, Title:

Surface-functionalized nanodiamonds for tailoring divergent osteo-immune and angiogenic responses via macrophage polarization

, Authors: Nora Marek, Elisabeth Mayerhoefer, Shuntaro Yamada, Stein Atle Lie, Eylem Baysal, Samih Mohamed-Ahmed, Harsh Dongre, Anette Wolff, Anke Krueger, Salwa Suliman
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-bkzh1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis-Dependent Fluorescence Properties of CsPbBr2Cl Supercrystals

, Authors: Robert Thalwitzer, Wolfgang Leiss, Ross Carter, Elena Chulanova, Dmitry Lapkin, Gerard Hinsley, Bihan Wang, Kuan Hoon Ngoi, Rustam Rysov, Fabian Westermeier, Ivan A. Vartaniants, Ivan A. Zaluzhnyy, Frank Schreiber, Marcus Scheele
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-k7nft
 
Subject: Chemistry
,
Working Paper
, Title:

Agent-based framework for modeling hyperlocal urban air quality

, Authors: Sathish Swaminathan, Pranav Agrawal, V. Faye McNeill, Raghunathan Rengaswamy
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-v1lhr
 
Subject: Chemistry
,
Working Paper
, Title:

Performance of dispersion models in predicting ambient hydrocarbon concentrations at a regional air quality monitor in an oil and gas producing region

, Authors: Joel D. Graves, Yosuke Kimura, Mrinali Modi, Shannon Stokes, Morgan Meyer, Lea Hildebrandt Ruiz, David T. Allen
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-xkhh9
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable Self-Assembling Cationic Lipopeptides for the Construction of Functional Vesicular Gene-Delivery Systems

, Authors: Federica A. Souto-Trinei, Alba Ramil-Bouzas, Paco Fernández-Trillo, Ana Rey-Rico, Roberto J. Brea
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-28txq
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Regioselective Hydroboration of Unactivat-ed Alkenes and Allenes with HBEpin at Room Temperature

, Authors: Jeremy Pearson-lemme, Kashif Ali, Morgan John, Stephen Moggach, George Koutsantonis, Reto Dorta, Scott Stewart
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-bssrf
 
Subject: Chemistry
,
Working Paper
, Title:

Large-scale structure- and sequence-based comparative analysis enables functional annotation of animal venom peptides

, Authors: Favour Achimba, Pragya Priyadarshini, Bulat Faezov, Martin Habib, Mariam Gelashvili, Brandon Cohen, Roland Dunbrack, Mandë Holford
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-9gd3c
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering disordered metallic carbon materials from graphene edge hydrolysis

, Authors: Katarzyna Zawada Donato, Gavin Kok Wai Koon, Sarah Jiale Lee, Alexandra Carvalho, Hui Li Tan, Mariana Costa, Paweł Michałowski, Jakub Tolasz, Petra Ecorchard, Ricardo Keitel Donato, Antonio Helio Castro Neto
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2024-h3pkk-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the sources of broadening in UV-Visible spectra of crystalline oligoacenes using multiscale computational protocols

, Authors: Maxime Hodée, Filippo Brunetti, Federico Hernández, Daniel Escudero
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-32ckp-v2
 
Subject: Chemistry
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Working Paper
, Title:

Mucin-Inspired Thermogels for Programmable Nanoplastic Removal in Water Purification

, Authors: Florian Tondock, David Nash, Deborah Lückermann, Julius Ruhe, Jörn Droste, Marie Weinhart
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-ct9d8-v3
 
Subject: Chemistry
,
Working Paper
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Domain Oriented Universal Machine Learning Potential Enables Fast Exploration of Chemical Space of Battery Electrolytes

, Authors: Feng Wang, Yu-Hang Tang, Ze-Bing Ma, Yu-Cheng Jin, Jun Cheng
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-fnw1w-v2
 
Subject: Chemistry
,
Working Paper
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Sodium-Based Donor-Acceptor Assemblies Featuring Thermally Activated Delayed Fluorescence Enabled by Highly Efficient Through-Space Charge Transfer

, Authors: Ondřej Mrózek, Tabea Heil, Lukáš Hanzl, Andrey Belyaev, Indranil Sen, Patrick Pilch, Zhe Wang, Andreas Steffen
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-zstkc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electric fields enhance Diels–Alderase catalysis in Abyssomicin C biosynthesis

, Authors: Rodrigo Recabarren, Sam Johns, Adrian Bunzel, Esteban Vohringer-Martinez, Marc van der Kamp
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-l22j6-v2
 
Subject: Chemistry
,
Working Paper
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A Bright New Link – A Novel Light-Switch-Capable Bridging Ligand in Photoactive Metal Complexes

, Authors: Dajana Isakov, Kamil Witas, Mohini Semwal, Philipp Traber, Alexandra S. J. Rein, Dieter Sorsche, Andrea Hainthaler, Alexander K. Mengele, Maria Wächtler, Benjamin Dietzek-Ivanšić, Stefanie Gräfe, Stephan Kupfer, Sven Rau
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-jd7c8
 
Subject: Politics and International Relations
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Working Paper
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Rethinking Ethnic Mobilization: A Model and Three Theories of Sustained Minority Ethnic Mobilization

, Authors: Alexander Mutnansky
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.33774/apsa-2025-rtdw9
 
Subject: Chemistry
,
Review
, Title:

Missense mutations in cancer: in silico predictions, developing treatments, and overcoming cell resistance.

, Authors: Mariam Fouad
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-6928d
 
Subject: Chemistry
,
Working Paper
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Heterogenized Ir(III) and Ru(II) Photosensitizers for Supported Photoredox Catalysis

, Authors: Jonathan Long, Lauraleen Barremaecker, Céline Bourgois, Koen Robeyns, Ludovic Troian-Gautier, Sophie Hermans, Olivier Riant
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-628hk-v2
 
Subject: Chemistry
,
Working Paper
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Mechanochromism of Dinuclear Aluminum-based Triple-stranded Helicates through Crystalline-to-Amorphous Phase Transition

, Authors: Tomoya Umeki, Ayano Tani, Yuto Konishi, Yusuke Ishigaki, Takunori Harada, Takumi Ehara, Kiyoshi Miyata, Ken Onda, Yu Hoshino, Toshikazu Ono
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-7z7mw
 
Subject: Chemistry
,
Working Paper
, Title:

Microenvironment Sensitive Probe for Ratiometric sensing of Vesicle to Micelle Transition

, Authors: Tathagata Ray
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-490nk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Optimization of Self-Reporting Alcohol-Oxidizing RhIII Complexes

, Authors: Luca Hefty, Giada Caniglia, Muhammed Abdel-Hamied, Alexander K. Mengele, Christine Kranz, Sven Rau
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-78dls
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Light-Driven Multi-Electron Accumulation on Viologens by Molecular Control over Photochemical Reaction Pathways

, Authors: Fatemeh Sousani, Georgina Shillito, Alexander K. Mengele, Martin D. Hager, Ulrich S. Schubert, Stefanie Gräfe, Stephan Kupfer, Sven Rau
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-13f16
 
Subject: Chemistry
,
Working Paper
, Title:

Electron accumulation role of bridging ligands in photocatalytic donor-acceptor assemblies

, Authors: Elizabeth Ryland, Marija Zorić, Zach Mast, Alexander Mengele, Mohini Semwal, Erik Askins, Michael Sachs, Marco Hartkorn, Tyler Haddock, Rebeca Castillo-Gomez, Philip Johnson, Camila Bacellar, Claudio Cirelli, Lin Chen, Michael Mara, Ksenija Glusac, Xiaosong Li, Benjamin Dietzek-Ivanšić, George Schatz, Sven Rau, Amy Cordones
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-1271m
 
Subject: Chemistry
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Working Paper
, Title:

Scanning photoelectrochemical microscopy for the investigation of local photocatalytic H₂ Evolution in matrixed Langmuir films

, Authors: Sarah Horn, Giada Caniglia, Sarah Jasmin Finkelmeyer, Gregor Neusser, Charlotte Mankel, Benedikt Bagemihl, Sven Rau, Christof Neumann, Andrey Turchanin, Riccarda Müller, Kerstin Leopold, Sidra Akther, Andrea Pannwitz, Stefan Zechel, Martin Hager, Ulrich Schubert, Moritz Jahn, Carsten Streb, Martin Presselt, Christine Kranz
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-202v9
 
Subject: Chemistry
,
Working Paper
, Title:

Covalently linked ferrocene-polyoxometalate dyads for light-induced radical generation

, Authors: Sebastian Knoll, Heiner Schmidt, Kevin Sowa, Celina Titze, Benjamin Dietzek-Ivansic, Stephan Kupfer, Linda Zedler, Carsten Streb
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-z8nc0
 
Subject: Chemistry
,
Working Paper
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Light-driven hydrogen evolution reactivity of molecular thio-oxomolybdate catalysts

, Authors: Luca T. Schleicher, S. Henriette Kolbinger, Akuila Edwards, Stephan Kupfer, Michael Schmitt, Jürgen Popp, Carsten Streb
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-n2fps
 
Subject: Chemistry
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Working Paper
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Mo2 can do it too – dynamic irradiation leads to more efficient light-driven hydrogen evolution

, Authors: S. Henriette Kolbinger, Kristina Krauchanka, Daniel Kowalczyk, Luca T. Schleicher, Luis Senz, Stephan Kupfer, Dirk Ziegenbalg, Carsten Streb
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-m020t
 
Subject: Chemistry
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Working Paper
, Title:

Phenothiazine redox mediators boost photocatalytic hydrogen evolution

, Authors: Daniel Baumgarten, Marco Gollasch, Yesleen Gupta, Moritz Jahn, Alexander Mengele, Sven Rau, Carsten Streb, Birgit Esser
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-fqktb
 
Subject: Chemistry
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Working Paper
, Title:

Visible Light-Driven Hydrogen Evolution By Covalent Photosensitizer-Polyoxometalate-Catalyst Triads

, Authors: Garima Sachdeva, Patrick Endres, Andreas Winter, Dolores Diaz, Celina Titze, Christof Neumann, Andrey Turchanin, Sina Sadigh Akbari, Linda Zedler, Alexander Mengele, Sven Rau, Benjamin Dietzek-Ivansic, Stephan Kupfer, Ulrich S. Schubert, Carsten Streb
Version undefined posted 22 December 2025
Posted
Dec 22, 2025
10.26434/chemrxiv-2025-3tz9z
 
Subject: Chemistry
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Working Paper
, Title:

Fluorogenic Imaging Enables the Identification of Phosphoramidate Antibody–Drug Conjugate Linkers

, Authors: Pradeep Shrestha, Veera. Shivaji R. Edupuganti, Connor Wang, Nimit Patel, Lai Thang, Simone Difilippantonio, Martin Schnermann
Version undefined posted 23 December 2025
Posted
Dec 23, 2025
10.26434/chemrxiv-2025-slgzm
 
Subject: Chemistry
,
Review
, Title:

Molecular Dynamics Simulations for Organic Chemists – It’s About Time!

, Authors: Michael M. Nielsen, Corin C. Wagen, Leticia Gomes, Dean J. Tantillo, Steven A. Lopez, Eric N. Jacobsen
Version undefined posted 23 December 2025
Posted
Dec 23, 2025
10.26434/chemrxiv-2025-fclzt
 
Subject: Chemistry
,
Working Paper
, Title:

Stable Secondary N-(Per)fluoroalkylamides from 1,2,3-Triazoles via Ketenimines

, Authors: Anna Kubíčková, Martin Dračínský, Miroslav Stroka, Letizia Puzzini, Adam Kurčina, Erik Andris, Sille Štěpánová, Václav Kašička, Blanka Klepetářová, Petr Beier
Version undefined posted 23 December 2025
Posted
Dec 23, 2025
10.26434/chemrxiv-2025-46q0h
 
Subject: Chemistry
,
Working Paper
, Title:

Characterisation and immobilisation study of the Haloperoxidase from Curvularia inaequalis: application to phenol derivatives

, Authors: Lucas Bisel, Jana Vojcikova, Nicolo Villa, Rénato Froidevaux, Egon Heuson
Version undefined posted 23 December 2025
Posted
Dec 23, 2025
10.26434/chemrxiv-2025-jcmpt
 
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