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Subject: Chemistry
,
Working Paper
, Title:

Unraveling Defect-Dependent Conductivity-Type Switching in CuFe2O4 for Enhanced Photoelectrocatalytic Reduction of Benzaldehyde

, Authors: Yen-Chun Huang, Jun-Lin Fong, Abdul M. Reyes, Sebastian E. Reyes-Lillo, Chang-Ming Jiang
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-9brl5
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Butler-Volmer equation for CO2 electro-reduction on Cu-based gas diffusion electrodes

, Authors: Peace Adesina, Joel Ager, Alexei Lapkin
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-hx5gr
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Excited-State Energies and Electron Transfer Dynamics in Benzothiadiazole-Based Organic Photocatalysts for Improved Efficiency

, Authors: Anupam Das, Ambika Pathak, Panaha Panaha, K. R. Justin Thomas
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-pktbw
 
Subject: Chemistry
,
Working Paper
, Title:

A DFT analysis for synthesizing vitamin A

, Authors: Tianyou Huang, Jesus Valdiviezo
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-g0drf
 
Subject: Chemistry
,
Working Paper
, Title:

Digital flow platform for the synthesis of high-quality multi-material perovskites

, Authors: Diego Iglesias, Cristopher Tinajero, Simone Marchetti, Jaume Luis Gomez, Raul Martinez Cuenca, Jose Fuentes Ballesteros, Clara Aranda, Alejandro Martínez Serra, Maria Asensio, Rafael Abargues, Pablo Boix, Marcileia Zanatta, Victor Sans
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-7n62r
 
Subject: Chemistry
,
Working Paper
, Title:

Poly(imidazoyl)-Albumin Nanocarrier Responding to Two Metabolic States of Glycolytic Tumors for Targeted and Traceless Drug Delivery

, Authors: Dominik Schauenburg, Darijan Schueler, Bingjie Gao, Jan Michael Zoppelt, Lisa Foerch, Pierpaolo Moscariello, Seah Ling Kuan, Tanja Weil
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-lqpcj
 
Subject: Chemistry
,
Working Paper
, Title:

NIR emissive probe for fluorescence turn-on based dead cell sorting and in-vivo viscosity mapping in C. elegans

, Authors: Goraksha T. Sapkal, Farhan Anjum, Abdul Salam, Bodhidipra Mukherjee, Shilpa Chandra, Purabi Bala, Richa Garg, Shagun Sharma, Kush Kaushik, Chayan Kanti Nandi
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-xccl0
 
Subject: Chemistry
,
Working Paper
, Title:

AI4Green4Students: Promoting sustainable chemistry in undergraduate laboratories with an electronic lab notebook

, Authors: Peace Nwafor, Shason Gurung, Philip van Krimpen, Lenka Schnaubert, Katherine Jolley, Samantha Pearman-Kanza, Cerys Willoughby, Jonathan Hirst
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-2q6l5
 
Subject: Chemistry
,
Working Paper
, Title:

Intercomparison of three continuous monitoring systems on operating oil and gas sites

, Authors: William Daniels, Spencer Kidd, Shuting (Lydia) Yang, Shannon Stokes, Arvind Ravikumar, Dorit Hammerling
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-0vsw6
 
Subject: Chemistry
,
Working Paper
, Title:

Multimodal mass spectrometry imaging for plaque- and region-specific neurolipidomics in an Alzheimer’s disease mouse model

, Authors: Timothy J. Trinklein, Stanislav S. Rubakhin, Samuel Okyem, Seth W. Croslow, Marisa Asadian, K.R. Sabitha, Orly Lazarov, Fan Lam, Jonathan V. Sweedler
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-2hbb7
 
Subject: Chemistry
,
Working Paper
, Title:

Conformal Selection for Efficient and Accurate Compound Screening in Drug Discovery

, Authors: Tian Bai, Peng Tang, Yuting Xu, Vladimir Svetnik, Abbas Khalili, Xiang Yu, Archer Yang
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-pf3ph
 
Subject: Chemistry
,
Working Paper
, Title:

Potassium Isopropyl(trimethylsilyl)amide and Potassium tert-Butyl(trimethylsilyl)amide: Solvent-Dependent Solution Structures and Reactivities

, Authors: Jesse Spivey, David Collum
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-mh4vk
 
Subject: Chemistry
,
Working Paper
, Title:

Comment on “Localized and Delocalized States of a Diamine Cation: Resolution of a Controversy”

, Authors: Gabriel Phun, Bryan Wong
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-ltd9f
 
Subject: Chemistry
,
Working Paper
, Title:

Bonded water is an integral component of dissolved organic matter in the ocean

, Authors: Kaijun Lu, Xiao You, Laodong Guo, Carlos Baiz, Zhanfei Liu
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-ff160
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Upconversion and Photoconductive Nanocomposites of Lanthanide-Doped Nanoparticles Functionalized with Low-Vibrational-Energy Inorganic Ligands

, Authors: Jia-Ahn Pan, Xiao Qi, Emory Chan
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-lt67p
 
Subject: Chemistry
,
Working Paper
, Title:

Optimal Conditions for Lavandula Angustifolia Secretion of Small Molecule Inhibitors of the Amyloidogenic Pathway

, Authors: Wenqi Zhao
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-3vspl
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon reduction powered by natural electrochemical gradients under submarine hydrothermal vent conditions

, Authors: Thiago Altair, Eleftheria-Sofia Dragoti, Victor Sojo, Yamei Li, Shawn McGlynn, Douglas Galante, Hamilton Varela, Reuben Hudson
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-ffsgz
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into Lithium-Mediated Nitrogen Reduction Reaction for Ammonia Electrosynthesis

, Authors: Chengyu Zhou, Qing Zhao
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-hzssh
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling JP-10 Fuel: A DFT and NMR Study of Exo-TCD Chair and Boat Conformers

, Authors: Feng Wang, Vladislav Vasilyev
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-4lqf9
 
Subject: Chemistry
,
Working Paper
, Title:

Performance Insights for Small Molecule Drug Discovery Models: Data Scaling, Multitasking, and Generalization

, Authors: Jacky Chen, Yunsie Chung, Jonathan Tynan, Chen Cheng, Song Yang, Alan Cheng
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-bznm6
 
Subject: Chemistry
,
Working Paper
, Title:

Automated High-purity On-resin Cyclization Strategy for Rapid Synthesis of Homodetic Cyclopeptides

, Authors: Chengxi Li, Feng Wan, Chengrui Hu, Pei Xie, Xingxing Yang, Yourong Pan, Xin He, Zuozhou Ning
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-35js1
 
Subject: Chemistry
,
Working Paper
, Title:

Activation of I2 with aryl iodine(III) for the iodination of deactivated arenes

, Authors: Marcus Sceney, Jade Choi, Lachlan Barwise, Tania _, Juliette Phillips, Katerina Dostinoska, Jason Dutton
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-vsnbb
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Spin Sensor for Open-shell Molecules

, Authors: SHAHJAD ALI, Md. Ehesan Ali
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-g2p6z
 
Subject: Chemistry
,
Working Paper
, Title:

Active learning meets metadynamics: Automated workflow for reactive machine learning potentials

, Authors: Valdas Vitartas, Hanwen Zhang, Veronika Juraskova, Tristan Johnston-Wood, Fernanda Duarte
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-twmlz
 
Subject: Chemistry
,
Working Paper
, Title:

Spark Ablation Generation of Metal Nanoparticles and Coating on TiO2 in the Aerosol Phase

, Authors: Benjamin Gfeller, Mariia Becker, Nicolas Bukowiecki, Adrian Dario Aebi, Marcus Wyss, Markus Kalberer
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-s3vf0
 
Subject: Chemistry
,
Working Paper
, Title:

General Data Management Workflow to Process Tabular Data in Automated and High throughput Heterogeneous Catalysis Research

, Authors: Erwin Lam, Tanguy Maury, Sebastian Preiss, Yuhui Hou, Hannes Frey, Caterina Barillari, Paco Laveille
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-91vb5
 
Subject: Chemistry
,
Working Paper
, Title:

FCIQMC–CASPT2 with Imaginary–Time–Averaged Wave Functions

, Authors: Arta Safari, Robert Anderson, Ali Alavi, Giovanni Li Manni
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-kj11f
 
Subject: Chemistry
,
Working Paper
, Title:

Neural Network-Based Interatomic Potential for the Study of Thermal and Mechanical Properties of Siliceous Zeolites

, Authors: Luca Brugnoli, Maxime Ducamp, François-Xavier Coudert
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-np8wf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

AI-driven drug discovery: identification and optimization of ALDH3A1 selective inhibitors with nanomolar activity

, Authors: Sankalp Jain, Adam Yasgar, Anu Dalal, Marissa Davies, Aleksandra Nilova, Natalia Martinez, Anton Simeonov, Ganesha Rai, Alexey Zakharov
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-5zxxm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Activity Relationships in Ether-Functionalized Solid-State Metal-Organic Framework Electrolytes

, Authors: Anthony Mu, Vibhu Vardhan Singh, Hyunyong Kim, Dong Ju Lee, Namseo Kim, Christian Ruff, Aaron Levy, Thomas Young, Francesco Paesani, Seth Cohen, Tod Pascal, Zheng Chen
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-8ppvf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of charging in constant potential electrochemistry modeling

, Authors: Henrik Kristoffersen
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-8rm6t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

C-H Bond Activation by Sulfated Zirconium Oxide is Mediated by a Sulfur-Centered Lewis Superacid

, Authors: Yutthana Lakliang, Alexander Kolganov, Marc Groves, Orson Sydora, Evgeny Pidko, Matthew Conley
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-w7r50-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Versatile Silica Functionalization Strategy for Organic Phase Nanomaterials

, Authors: Keisuke Nagao, Katherine Lei, Peyton Worthington, Noah Kent, Michika Onoda, Elian Malkin, Emmanuel Vargas Paniagua, Rebecca Leomi, Robert J. Macfarlane, Polina Anikeeva
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-cvlt2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Reduced Scaling Approach to Obtaining Embedding Orbital Coefficients: Benchmarking DMET-CCSD(T) Relative Energies in Water Clusters

, Authors: Yi Sun
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-djs2b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Influence of Approximations for Simulating Valence Excited X-ray Spectra

, Authors: Thomas Penfold, Basile Curchod
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-5q956-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Skeletal editing of indoles and benzofurans to give indazoles, benzimidazoles, benzoxazoles and benzisoxazoles

, Authors: Zhe Wang, Pengwei Xu, Shu-Min Guo, Constantin Gabriel Daniliuc, Armido Studer
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-vtg73
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking the flexibility of multi-material 3D extrusion printing for soft iontronics

, Authors: Trevor Kalkus, Tamara V. Unterreiner, Målin Schmidt, Laura D. Wächter, Christina R. Schmitt, Ankit Mishra, Christine Selhuber-Unkel
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-6vjkz
 
Subject: Chemistry
,
Working Paper
, Title:

Size-exclusion chromatography–electrospray-ionization mass spectrometry to characterize end group and chemical distribution of poly(lactide-co-glycolide) co-polymers

, Authors: Masashi Serizawa, Pieter van Delft, Peter J. Schoenmakers, Ron A. H. Peters, Andrea F.G. Gargano
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-3c8dz
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Digital Twin of an In-situ Experiment: A Physics-enhanced Machine-Learning Framework for Inverse Modelling of Mass Transport Processes

, Authors: Haonan Peng, Ashish Rajyaguru, Enzo Curti, Daniel Grolimund, Sergey Churakov, Nikolaos Prasianakis
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-jf17j
 
Subject: Management
,
Working Paper
, Title:

ICT Transformation in Healthcare: A Risk-Based Approach for Climate Adaptation in Low and Middle-Income Countries

, Authors: Cesar Marolla
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.33774/coe-2024-jq9l3
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel - Titania Supported Catalysts for Direct Selective Hydrodeoxygenation of 5-Hydroxymethylfurfural to 5-Methylfurfural

, Authors: Martyna Przydacz, Nathalie Tanchoux, Dris Ihiawakrim, David Kubička, Nicolas Keller, Agnieszka Ruppert
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-3b54n
 
Subject: Chemistry
,
Working Paper
, Title:

In-vitro neuroprotective potential of Celastrol compound on SH-SY5Y neuroblastoma cells

, Authors: Anil Kumar Moola, Umamaheswara Rao Dindi, Arun Kannan, Sathish Selvam, Spandana Metta, Ranjitha Kumari BD
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-pvs5s
 
Subject: Chemistry
,
Working Paper
, Title:

Photoresponsive Carbodiimide-Fueled Transiently Crosslinked Polymer Hydrogels

, Authors: Ibrahim O. Raji, Torin Wilcox, C. Scott Hartley, Dominik Konkolewicz
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-z3kww
 
Subject: Chemistry
,
Working Paper
, Title:

Trajectory-based Non-adiabatic Simulations of the Polariton Relaxation Dynamics

, Authors: Deping Hu, Benjamin Chng, Wenxiang Ying, Pengfei Huo
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-t818f
 
Subject: Chemistry
,
Working Paper
, Title:

Perfluoro(2-ethoxy-2-fluoroethoxy)-acetic acid (EEA) and other target and suspect PFAS in the vicinity of a fluoropolymer production plant

, Authors: Joost Dalmijn, Jonathan Benskin, Matthew Salter, Andrew Sweetman, Crispin Halsall, Jack Garnett, Ian Cousins
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-msn1r
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Petrography and magnetic susceptibility of ASH SHAQQAH 001 (Brachinite)

, Authors: Jose Garcia
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.33774/coe-2024-sj09t
 
Subject: Mathematics
,
Working Paper
, Title:

Collatz Sequence Proof (2nd Way)

, Authors: Taha Muhammad
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.33774/coe-2024-f4j0z-v5
 
Subject: Computer Science
,
Poster
, Title:

iNews: An Individualized News Affective Response Dataset

, Authors: Tiancheng Hu, Kiran Garimella, Nigel Collier
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.33774/coe-2024-ksq2j
 
Subject: Engineering
,
Working Paper
, Title:

Uncovering the Applications, Developments, and Future Research Directions of the Open-Source Energy Modelling System (OSeMOSYS): A Systematic Literature Review

, Authors: Fernando Plazas-Niño, Naomi Tan, Vivien Foster, Mark Howells, Jairo Quirós-Tortós
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.33774/coe-2024-4gz87
 
Subject: Chemistry
,
Working Paper
, Title:

Probing Metal-Organic Framework Stoichiometry Using Quantitative NMR and TGA

, Authors: Flip de Jong, Tim Balcaen, Giel Arnauts, Leen Boullart, Alice Suarez Kahan, Johan Hofkens, Rob Ameloot, Mark Van der Auweraer, Gert Steurs
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-2bps8
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Emission Wavelengths and Quantum Yields of Diverse Bis-cyclometalated Iridium(III) Complexes Using Machine Learning

, Authors: Sergei Tatarin, Lev Krasnov, Ekaterina Nykhrikova, Maxim Minin, Daniil Smirnov, Andrei Churakov, Stanislav Bezzubov
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-cchdm
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning

, Authors: Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, Sangram Prusty, Younghoon Oh, Ruqian Wu, Qiang Cui, Allon Hochbaum, Stacy Copp, Sahar Sharifzadeh
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-66dnq
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Active Bisphosphonate-Based Viologens as Negolytes for Aqueous Organic Flow Batteries

, Authors: Gabriel Gonzalez, Anton Nechaev, Vsevolod Peshkov, Eduardo Martínez-González, Andrey Belyaev, Mahsa Shahsavan, Petri Pihko, Pekka Peljo
Version undefined posted 01 November 2024
Posted
Nov 01, 2024
10.26434/chemrxiv-2024-1jcnw
 
Subject: Mathematics
,
Working Paper
, Title:

Oral Processing of Chocolate

, Authors: Ann Smith, Christopher Breward, Eric Hall, Matteo Icardi, Andrew Lacey, Ellen Luckins, Karen Meyer, william Lee, Matthew Shirley
Version undefined posted 02 November 2024
Posted
Nov 02, 2024
10.33774/miir-2024-n0tb4
 
Subject: Mathematics
,
Working Paper
, Title:

Optimising Buoy Design for Wave Energy Harvesting using the WITT Device

, Authors: Gabriel Cairns, Nicholas Ryan, John Paul Alexander, Graeme Hocking, Brady Metherall, Hilary Ockendon, John Ockendon, Bernard Piette, Niall Rodgers, Sangeetha Sampath, Robert J. Whittaker
Version undefined posted 02 November 2024
Posted
Nov 02, 2024
10.33774/miir-2024-jr8sm
 
Subject: Chemistry
,
Working Paper
, Title:

Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start

, Authors: Yifan Wang, Lorenz Fleitmann, Lukas Raßpe-Lange, Niklas von der Assen, André Bardow, Kai Leonhard
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-165mk
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Pluronic F68 on size stability and acoustic behavior of monodisperse phospholipid-coated microbubbles produced at room temperature

, Authors: Yuchen Wang, Sander Spiekhout, Ana Walgode, Gonzalo Collado-Lara, Antonius van der Steen, Nico de Jong, Johannes Bosch, Benjamin Johnson, Klazina Kooiman
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-z79r9
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing UFF and DFT-tuned Force Fields for Predicting Experimental Isotherms of MOFs

, Authors: Yeongsu Cho, Jakob Teetz, Heather Kulik
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-wh9m4
 
Subject: Chemistry
,
Working Paper
, Title:

Dearomative Selective Reduction of Structurally Diverse N-Heteroarenes Enabled by Titanium Catalysis

, Authors: Kishore Natte, Tarun Bhatt, Suman Vadithya, Mridula Choudhary, Saurabh Kumar Singh
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-f1pw9
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Engineering of Cyanine Dyes to Access Highly Redshifted and Emissive J-aggregates

, Authors: Jillian Williams, Austin Bailey, Monica Pengshung, Arundhati Deshmukh, Cesar Garcia, John Cao, Barry Li, Nadine Bradbury, Alexandra Wright, Chern Chuang, Daniel Neuhauser, Ellen Sletten, Justin Caram
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-k4v5k
 
Subject: Chemistry
,
Working Paper
, Title:

Topology-Guided Construction of Three-Dimensional, π-d Conjugated Metal–Organic Frameworks

, Authors: Sanggyu Chong, Jihan Kim
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-kzdm3
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic spectroscopy and excited state mixing of OThF

, Authors: Arianna Rodriguez, Jiande Han, Jiarui Yan, Michael Heaven, Lan Cheng
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-rs0d6
 
Subject: Chemistry
,
Working Paper
, Title:

Microdroplet fusion driving the mass formation of twisted bilayer molybdenum disulfide fragments via spontaneous liquid-liquid phase separation

, Authors: Shotaro Yotsuya, Takahiko Endo, Yasumitsu Miyata, Limi Chen, Yoshifumi Oshima, Hiroaki Onoe, Christian Ruyer-Quil, Akihiro Tsurusaki, Susumu Okada, Mina Maruyama, Luwei Zheng, Yaheng Wang, Kazunori Serita, Daisuke Kiriya
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-cw7wz
 
Subject: Chemistry
,
Working Paper
, Title:

Characterization and integration of a new oxidative flow reactor for use in in vitro and human exposure systems with diesel exhaust and other aerosol

, Authors: Vikram Choudhary, Yu Xi, Cynthia Pham, Yuetong Zhang, Kristen Hardy, Christopher F Rider, Julia Zaks, Allan K. Bertram, Arthur Chan, William H. Brune, Chris Carlsten
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-wwt9k
 
Subject: Chemistry
,
Working Paper
, Title:

Light-modulated self-assembly of synthetic nanotubes

, Authors: Mahdi Dizani, Siddharth Agarwal, Dino Osmanovic, Elisa Franco
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-rbdj0
 
Subject: Chemistry
,
Working Paper
, Title:

Closing the Loop for Benzylic Polyacylhydrazone(PAcHy) Soft Materials

, Authors: Matthew Minus, Chukwuzubelu Ufodike, Al Mazedur Rahman, Evan McHenry, Marco Giles, Gaius Nzebuka
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-078mj
 
Subject: Chemistry
,
Working Paper
, Title:

Expanding the chemical coverage of polar compounds in water analysis by coupling supercritical fluid with hydrophilic interaction chromatography high-resolution mass spectrometry

, Authors: Andrea Cerrato, Thomas Holmark, Erik Emke, Elvio D. Amato, Andrea F. G. Gargano
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-5ppc5
 
Subject: Chemistry
,
Working Paper
, Title:

Triptycene-based 2.5D Metal-Organic Frameworks: Atomically Ac-curate Structures and One-Dimensional Antiferromagnetism from Hydrogen-Bonding Bridged Protonated Building Units

, Authors: Qi Chen, Kunio Awaga, Zhongyue Zhang
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-wkvw7
 
Subject: Chemistry
,
Working Paper
, Title:

An amide-to-chloroalkene substitution improves the peptide permeability

, Authors: Sayuri Takeo, Chihiro Iio, Ai Sakakibara, Mio Takeda, Yuki Yamazaki, Kohei Sato, Nobuyuki Mase, Mizuki Watanabe, Tetsuo NARUMI
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-l36zv
 
Subject: Chemistry
,
Working Paper
, Title:

Charting the chemical space of modular heterocyclic nucleophiles for CO₂ capture

, Authors: Avni Singhal, Glen Junor, Rafael Gomez-Bombarelli
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-4w36v
 
Subject: Chemistry
,
Working Paper
, Title:

Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction

, Authors: Zarfishan Dilruba, Ardeshir Dadgar Yeganeh, Kolin Sofia, Sadia Noor, Hassan Shatla, Carl Wieland, Bo-Hung Yu, Katrin Gugeler, Anna Zens, Johannes Kästner, Deven Estes, Kristyna Pluhackova, Simon Krause, Sabine Laschat
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-47660
 
Subject: Chemistry
,
Working Paper
, Title:

Heteroaromatic Swapping in Aromatic Ketones

, Authors: Hikaru Nakahara, Junichiro Yamaguchi
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-pz3xw
 
Subject: Chemistry
,
Working Paper
, Title:

Can SCF and ROKS DFT methods predict inverted singlet-triplet gap?: Benchmarking and rationalization

, Authors: Danillo Valverde, Gaetano Ricci, Juan Carlos Sancho García, David Beljonne, Yoann Olivier
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-4wfr8
 
Subject: Chemistry
,
Working Paper
, Title:

Docking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance

, Authors: Althea Hansel-Harris, Andreas Tillack, Diogo Santos-Martins, Matthew Holcomb, Stefano Forli
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-pr56v
 
Subject: Chemistry
,
Working Paper
, Title:

Triblock architecture and PEG hydrophilic blocks enable efficient thermogelation of poly(2-phenyl-2-oxazine)-based worm-gels

, Authors: Anna-Lena Ziegler, Andrew Kerr, Florian T. Kaps, Robert Luxenhofer
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-75cb8
 
Subject: Chemistry
,
Working Paper
, Title:

A short scalable route to bis-morpholine spiroacetals and oxazepane analogues: useful 3D-scaffolds for compound library assembly

, Authors: Daniel Kovari, Louise Male, Kimberley Roper, Christian Mang, Oliver Kunz, Liam Cox
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-d5x48
 
Subject: Chemistry
,
Working Paper
, Title:

Core-extended Naphthalene Diimide dyads as light-up probes with targeted cytotoxicity toward tumor cells

, Authors: Ilse Gert Julia Manet, Filippo Doria, Valentina Pirota, Mauro Freccero, Erica Salvati, Francesco Manoli, Carla Risoldi, Pasquale Zizza, Annamaria Biroccio, Angela Rizzo
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-n178z
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Chiroptical Correlation of Dissymmetric Crystal Morphologies

, Authors: Qiang Wen, Melissa Tan, Ofir Eisenberg, Hadar Nasi, Vlad Brumfeld, Akash Tiwari, Hai-Mu Ye, Bart Kahr, Linda J. W. Shimon, Michal Lahav, Milko E. van der Boom
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-x0d0t
 
Subject: Chemistry
,
Working Paper
, Title:

Electrifying P(V): Access to Polar and Radical Reactivity

, Authors: Mahdi Jafarzadeh, Molhm Nassir, Luca Gherardi, Nicholas Raheja, Yu Kawamata, Phil S. Baran
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-m5v9g
 
Subject: Chemistry
,
Working Paper
, Title:

Uncovering chemical principles governing nanophase formation in ternary solvents

, Authors: Binish Ashfaq, Ayusman Sen, Lauren Zarzar
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-8t38n
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioselectivity in Metabolism and Toxicity of 6PPD-Quinone in Salmonids

, Authors: Rui Li, Holly Barrett, Pranav Nair, Minghua Wang, Linna Xie, Hui Peng
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-87hn7
 
Subject: Chemistry
,
Working Paper
, Title:

Universal and Updatable Artificial Intelligence-Enhanced Quantum Chemical Foundational Models

, Authors: Yuxinxin Chen, Yi-Fan Hou, Olexandr Isayev, Pavlo O. Dral
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-604wb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Efficient Crystallization Studies through Machine Learning and Automation

, Authors: Zi Li, Wenbo Fu, Bochen Li, Jia Yao, Jiuchuang Yuan, Michael Bellucci, Guangxu Sun, Zhengtian Song, Shi Liu, Zhu Lang, Jian Ma, Shuhao Wen, Qun Zeng
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-5w5rp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A comparative Study between Thiol-ene and Acrylate Photocrosslinkable Hyaluronic Acid Hydrogel inks for Digital Light Processing

, Authors: Therese Steudter, Tobias Lam, Hamidreza Pirmahboub, Christian Stoppel, Lutz Kloke, Samuel Pearson, Aránzazu del Campo
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-bcdl6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Stereoselective peptide synthesis in alkaline hydrothermal vent conditions

, Authors: Daniel P Molland, Isabella B Rhyu, Jon Wade, Jason R. Schnell
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-fsrnt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

SiCN Nanofibers Supported Gold Catalyst for the Selective Oxidation of Cyclic Alkenes

, Authors: Saravana K T Pillai
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-b3pms-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Diradical Character Assessment in Large Datasets of Polybenzenoid Hydrocarbons Using xTB Fractional Occupation

, Authors: Alexandra Wahab, Renana Gershoni-Poranne
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-wgk2n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Architectured Silicone Vitrimers with Light-Tunable Mechanical and Self-Healing Behavior

, Authors: Stefano Menasce, Fergal Coulter, Rafael Libanori
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2023-vg68p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Dissociation and Reduction of Molecular Oxygen on Platinum, Palladium, Iridium, Rhodium, and Gold

, Authors: Benedikt Axel Brandes
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-0tjc0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Diverse Terpenoid Frameworks via Enzyme-Enabled Abiotic Scaffold Hop

, Authors: Heping Deng, Junhong Yang, Fuzhuo Li, Jian Li, Hans Renata
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-4kpr3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Target-Specific Datasets for Regioselectivity Predictions on Complex Substrates

, Authors: Jules Schleinitz, Alba Carretero-Cerdán, Anjali Gurajapu, Yonatan Harnik, Gina Lee, Amitesh Pandey, Anat Milo, Sarah Reisman
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-skgxb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Near-Infrared Photothermal Conversion by Isocorrole and Phlorin Derivatives

, Authors: Jana Caine, Simon Larsen, Abhik Ghosh, Zachary Hudson
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-769kr
 
Subject: Chemistry
,
Working Paper
, Title:

On the differences in trimethylaluminum infiltration into PMMA and PLA polymers for sequential infiltration synthesis: insights from experiment and first principles simulations

, Authors: Michele Perego, Alessia Motta, Karl Ronnby, Forest Tung Jie Yap, Gabriele Seguini, Claudia Wiemer, Michael Nolan
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-zdk5k
 
Subject: Chemistry
,
Working Paper
, Title:

Monitoring Radical Intermediates in Photoactivated Palladium-Catalysed Coupling of Aryl Halides to Arenes by an Aryl Radical Assay

, Authors: Seb Tyerman, Donald MacKay, Kenneth Clark, Alan Kennedy, Craig Robertson, Laura Evans, Robert Edkins, John Murphy
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.26434/chemrxiv-2024-7c8l0
 
Subject: Psychiatry
,
Video
, Title:

Advancing Early Detection in Bipolar Disorder: The Role of Circadian Rhythms

, Authors: Ian Hickie
Version undefined posted 04 November 2024
Posted
Nov 04, 2024
10.33774/coe-2024-6zqrt
 
Subject: Chemistry
,
Working Paper
, Title:

Rationalizing Catalytic Performances of Mo/W-(Oxy)Carbides for Hydrodeoxygenation

, Authors: Raghavendra Meena, Koen Marcus Draijer, Bastiaan M van Dam, Han Zuilhof, Johannes Hendrik Bitter, Guanna Li
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-jr8cp
 
Subject: Chemistry
,
Working Paper
, Title:

VeloxChem: GPU-accelerated Fock matrix construction enabling complex polarization propagator simulations of circular dichroism spectra of G-quadruplexes

, Authors: Xin Li, Mathieu Linares, Patrick Norman
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-rk6w2
 
Subject: Chemistry
,
Working Paper
, Title:

Sustained growth of nanotubes by self-assembly of DNA strands at room temperature

, Authors: Laura Bourdon, Syed Pavel Afrose, Siddharth Agarwal, Aurélie Di Cicco, Daniel Lévy, Ayako Yamada, Damien Baigl, Elisa Franco
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-4cn2m
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible and irreversible changes in protein secondary structure in the heat- and shear-induced texturization of native pea protein isolate

, Authors: Hiroshi Nakagawa, Job Ubbink
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-pxx63
 
Subject: Chemistry
,
Working Paper
, Title:

In situ study of ceria trapping Pt cluster under heating condition and the resulted strong metal‒support interaction effect in CO oxidation

, Authors: Liang Zhu, Yang Liu, Evgeny I. Vovk, Yilan Jiang, Danyu Wang, Zhehao Qiu, Junyu Lang, Yixiao Wang, Yong Yang
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-j9mcq
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Gram Scale Synthetic Routes to Solvent-Free Common Secondary Dialkylphosphines and Chlorodialkylphosphines

, Authors: Amanda Fogh, Sara Belazregue, Andrew Ashley, Mark Chadwick
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-0b89h
 
Subject: Chemistry
,
Working Paper
, Title:

CHEESE: 3D Shape and Electrostatic Virtual Screening in a Vector Space

, Authors: Miroslav Lžičař, Hamza Gamouh
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-cswth
 
Subject: Chemistry
,
Review
, Title:

A review of methane emissions source types, characteristics, rates, and mitigation across U.S. and Canadian cities

, Authors: Coleman Vollrath, Zhenyu Xing, Chris Hugenholtz, Thomas Barchyn, Jennifer Winter
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-cqzpr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine learning predicted n-type semiconductor material for H2S gas sensing

, Authors: Samagra Dvivedi, Piyush Patil, Sarvesh Namdeo, Veeramani Chidambaranathan, Dessy Ariyanti, Vimal Chandra Srivastava
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-jjm8b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Vibronic Coupling Effects in the Photoelectron Spectrum of Ozone: A Coupled-Cluster Approach

, Authors: Paweł Wójcik, Hanna Reisler, Péter Szalay, Anna Krylov, John Stanton
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-2v6hg-v2
 
Subject: Chemistry
,
Review
, Title:

From soft ionization mass spectrometry to “chemical bond” and resistance, semiconductor, superconductivity -- the law of charge motion in phase transition under weak electric field

, Authors: Jiehong Luo
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2023-r5bwq-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the origin of Automatic Rhodopsin Modeling outliers using the microbial Gloeobacter rhodopsin as testbed

, Authors: Dario Barreiro-Lage, Vincent Ledentu, Jacopo D’Ascenzi, Miquel Huix-Rotllant, Nicolas Ferré
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-2j8mx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Intramolecular Magnetic Exchange Interaction in Dichalcogenide Substituted Organic Diradical Dications

, Authors: Abhishek R Nath, Manish Kumar, Md. Ehesan Ali
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-zzjlx
 
Subject: Chemistry
,
Working Paper
, Title:

Reduction of Background-Triggered Amplification in Lesion-Induced DNA Amplification (LIDA)

, Authors: Anantha S. Ealeswarapu, Nahida Akter, Julianne M. Gibbs
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-hxkl4
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple Linear Relation Solves Unphysical DFT Energy Corrections

, Authors: Brian Rohr, Santosh Suram, Jens Bakander
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-q5058
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling Solid-Liquid Interfaces in MARTINI 3

, Authors: Sonia Cambiaso, Andrea Tagliabue, Davide Bochicchio, Antonio Tinti, Fabio Rasera Figueiredo, Alberto Giacomello, Luca Monticelli, Giulia Rossi
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-bkmwz
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling, screening, and techno-economic evaluation of metal-organic frameworks for boil-off gas capture during intercontinental transportation of LNG

, Authors: Sunghyun Yoon, Haneul Mun, Seongbin Ga, Jinwoo Park, Inkyu Lee, YONGCHUL CHUNG
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-5xrn9
 
Subject: Chemistry
,
Working Paper
, Title:

Hypothesis of Concerted Reactivity of Singlet Non-Covalent Radical Dimers

, Authors: Gregory Molev
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-lld8n-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous use of bacteriophages and UV irradiation for targeted control of bacterial pathogens using biocompatible food colorant brilliant blue FCF for selective protection of virions

, Authors: Mateusz Wdowiak, Aneta Magiera, Magdalena Tomczyńska, Witold Adamkiewicz, Francesco Stellacci, Jan Paczesny
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-kbdg6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

GLAS : An open-source easily expandable Git-based Scheduling Architecture for integral Lab Automation

, Authors: Jean-Charles Cousty, Tanguy Cavagna, Alec Schmidt, Edy Mariano, Keyan Villat, Florian de Nanteuil, Pascal Miéville
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-bf0bq-v5
 
Subject: Chemistry
,
Working Paper
, Title:

A Stepwise Reaction Achieves Ultra-Small Ag2ZnSnS4 Nanocrystals

, Authors: Francisco Yarur Villanueva, Minhal Hasham, Philippe B. Green, Christian J. Imperiale, Samihat Rahman, Darcy C. Burns, Mark W.B. Wilson
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2023-b6g73-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Towards a Universal Scaling Method for Predicting Equilibrium Constants of Polyoxometalates

, Authors: Jordi Buils, Diego Garay-Ruiz, Enric Petrus, Mireia Segado-Centellas, Carles Bo
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-r2lsq
 
Subject: Chemistry
,
Working Paper
, Title:

Raman Marker Bands for In-situ Quality Control During Synthesis Of Two-Dimensional Conjugated Metal-Organic Frameworks

, Authors: Fanny Reichmayr, Daniel Wolf, Geping Zhang, Mingchao Wang, Max Herzog, Renhao Dong, Xinliang Feng, Axel Lubk, Inez Weidinger
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-tqcg9
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Robust Phosphazane Hybrid NHCs for Small Molecule Activation: Unique sp2 and sp C–H insertion.

, Authors: Gavin Hum, Ziyun Zhang, How Chee Ong, Nemanja Đorđević, Yi Xin Joycelyn Khoo, Yongxin Li, Patrick R. Daley-Dee, Mihaiela C. Stuparu, Han Vinh Huynh, Laura Falivene, Felipe García
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-ctwwx
 
Subject: Chemistry
,
Working Paper
, Title:

Further SAR of GIRK1/2 Activators: In Vitro Biological Characterization and Evaluation of Effects on Neuropathic and Inflammatory Pain in Rodents

, Authors: Sumaiya Nahid, Fahad Rahman, Yu Du, Brittany Spitznagel, Sandeep Singh, Yashpal Chhonker, Daryl Murry, Ni Yan, Kaustubh Sharma, Xinmin Xie, C. David Weaver, Corey Hopkins
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-n5tmv
 
Subject: Chemistry
,
Working Paper
, Title:

Revised 4-point Water Model for the Classical Drude Oscillator Polarizable Force Field: SWM4-HLJ

, Authors: Xiaojing Teng, Wenbo Yu, Alex MacKerell
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-f8gtc
 
Subject: Chemistry
,
Working Paper
, Title:

Triply Convergent Ni-Electrocatalytic Assembly of 1,1-diaryl Cyclobutanes, Azetidines, and Oxetanes

, Authors: Luca Massaro, Philipp Neigenfind, Andrew Feng, Gannon Kuehn, Flynn C. Attard, Ava DeSanti, Michael R. Collins, Martin Bravo, Raymond K. Twumasi, Doris Chen, Philippe N. Bolduc, Michael Nicastri, Megan A. Emmanuel, Martins S. Oderinde, Maximilian D. Palkowitz, Xiaofan Zheng, Arianne C. Hunter, Kaid C. Harper, Chet C. Tyrol, Pavel K. Mykhailiuk, Yu Kawamata, Phil S. Baran
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-67bb8
 
Subject: Chemistry
,
Working Paper
, Title:

Are Grignard Reactions in Deep Eutectic Solvents Interface-Driven?

, Authors: Iva Manasi, Marco Bortoli, Daniel Bowron, Mario Campana, Oliver Hammond, Tom Headen, Jake Hooton, Eva Hevia, Michele Cascella, Odile Eisenstein, Karen Edler
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-74pzh
 
Subject: Chemistry
,
Review
, Title:

Unveiling Drug Discovery Insights through Molecular Electrostatic Potential Analysis

, Authors: Cherumuttathu Suresh, Mambatta Haritha
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-c6m5r
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient nickel precatalysts for Suzuki-Miyaura cross-coupling of aryl chlorides and arylboronic acids under mild conditions

, Authors: Scott Stewart, Morgan John, Michael Nutt, Josephine Offer, Jeremy Duczynski, Ken Yamazaki, Tomoya Miura, Stephen Moggach, George Koutsantonis, Reto Dorta
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-dpn21
 
Subject: Chemistry
,
Working Paper
, Title:

Atomically Precise [Cu23H4(SC7H7)18(PPh3)6] Nanocluster: Structural Integration of Johnson Solids through a Cu(0) Center and Electrocatalytic Functionality

, Authors: Sourav Biswas, Yamato Shingyochi, Maho Kamiyama, Masaki Ogami, Haohong Song, Tokuhisa Kawawaki, De-en Jiang, Yuichi Negishi
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-gtqwh
 
Subject: Chemistry
,
Working Paper
, Title:

Galvanic Corrosion Underlies Coulombic Efficiency Differences in High-Performing Lithium Metal Battery Electrolytes

, Authors: Solomon T. Oyakhire, Sang Cheol Kim, Wenbo Zhang, Sanzeeda Baig Shuchi, Yi Cui, Stacey F. Bent
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-6g0h2
 
Subject: Chemistry
,
Working Paper
, Title:

Moltiverse: Molecular Conformer Generation Using Enhanced Sampling Methods

, Authors: Mauricio Bedoya, Francisco Adasme-Carreño, Paula Andrea Peña-Martínez, Camila Muñoz-Gutiérrez, Luciano Peña-Tejo, José C.E. Márquez Montesinos, Erix W. Hernández-Rodríguez, Wendy González, Leandro Martínez, Jans Alzate-Morales
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-qs0pc
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Simulations of PROTAC as a BRD4 Inhibitor in Neuroblastoma

, Authors: Diya Agarwal, Gaurav Sharma
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-gq4tk
 
Subject: Chemistry
,
Working Paper
, Title:

Roughhousing with Ions: Surface-Induced Dissociation and Electron Capture Dissociation as Diagnostics of Q-Cyclic IMS-TOF Instrument Tuning Gentleness

, Authors: Andrew Arslanian, Vicki Wysocki
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-jfjt1
 
Subject: Chemistry
,
Working Paper
, Title:

Computational analysis of TYRP1+ CAR T-cells targeting CD19+ and CD28+ melanoma cells

, Authors: Yashna Singh, Gaurav Sharma
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-7htsd
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Analysis of Cardiac Disease Protein Biomarkers by Using Aptamers

, Authors: Tanmayi Sri Sanjana Vinapamula, Gaurav Sharma
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-5kgkp
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven Improvement of Local Hybrid Functionals: Neural-Network-Based Local Mixing Functions and Power-Series Correlation Functionals

, Authors: Artur Wodyński, Kilian Glodny, Martin Kaupp
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-g3r93
 
Subject: Chemistry
,
Working Paper
, Title:

MOSAEC-DB: A comprehensive database of experimental metal-organic frameworks with verified chemical accuracy suitable for molecular simulations

, Authors: Marco Gibaldi, Anna Kapeliukha, Andrew White, Jun Luo, R. Alex Mayo, Jake Burner, Tom Woo
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-zmq13
 
Subject: Chemistry
,
Working Paper
, Title:

KNIME Workflows for Chemoinformatic Characterization of Chemical Databases

, Authors: Carlos D. Ramírez-Márquez, José L. Medina-Franco
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-b0jzv
 
Subject: Chemistry
,
Working Paper
, Title:

Transformation of TiN to TiNO films via In-situ Temperature-dependent Oxygen Diffusion Process and their Electrochemical Behavior

, Authors: Sheilah Cherono, Ikenna Chris-Okoro, Mengxin Liu, R. Soyoung Kim, Swapnil Nalawade, Wisdom Akande, Diana Maria Mihai, Johannes Mahl, Christopher Hale, Junko Yano, Shyam Aravamudhan, Ethan Crumlin, Valentin Craciun, Dhananjay Kumar
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-6gsnd
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction-free mitochondrial membrane potential independent luminogens with aggregation-induced emission characteristics for live neuron imaging

, Authors: Hojeong Park, Guangle Niu, Alex Wong, Ryan Kwok, Ben Zhong Tang
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-6b2ck
 
Subject: Chemistry
,
Working Paper
, Title:

Cu(I)-Catalyzed Reaction of Ethynyl Methylene Cyclic Carbamates : Synthesis of Spirocyclic Compounds

, Authors: Shi-Wu Li, Yujie Zhao, Zhifei Zhao
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.26434/chemrxiv-2024-4134z
 
Subject: Mathematics
,
Working Paper
, Title:

Computation of Novel Binomial Series and Theorems using Multivariable Geometric Series

, Authors: Chinnaraji Annamalai
Version undefined posted 05 November 2024
Posted
Nov 05, 2024
10.33774/coe-2024-vsv7f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spectro: A multi-modal approach for molecule elucidation using IR and NMR data

, Authors: Edwin Chacko, Rudra Sondhi, Arnav Praveen, Kylie L. Luska, Rodrigo Alejandro Vargas Hernandez
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-37v2j
 
Subject: Chemistry
,
Working Paper
, Title:

Close Electrohydrodynamic Fiber Deposition using a Partially Coated Glass Collector

, Authors: Antonín Minařík, Aleš Mráček, Paul Dalton
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-4mst2
 
Subject: Chemistry
,
Working Paper
, Title:

Inhibition of Alpha-Hemolysis toxin of Staphylococcus Aureus through Molecular docking simulations

, Authors: Roma Reddy, Gaurav Sharma
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-5jk7p
 
Subject: Chemistry
,
Working Paper
, Title:

RNA Binding and Coacervation Promotes Preservation of Peptide Form and Function Across the Heterochiral-Homochiral Divide

, Authors: Daniella Goldfarb, Manas Seal, Ilan Edelstein, Orit Weil-Ktorza, Norman Metanis, Yaakov Levy, Liam Longo
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-zfqv5
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Photocatalytic Hydrogen Production Efficiency Using Urea-Derived Carbon Nitride in a Continuous Flow Reactor

, Authors: Samar Batool, Malek Ibrahim, Florian Ehrlich - Sommer, Stephen Nagaraju Myakala, Shaghayegh Naghdi, Alexey Cherevan
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-v75v8
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Aminolysis: A New Concept for Postpolymerization Modification

, Authors: Koki Kasai, Hideki Amii, Ryohei Kakuchi
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-7cgzt-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Rapid-heating Copper Block Reactor System for Improved Isothermal Kinetics of Polyethylene Pyrolysis

, Authors: Abdulrahman Alzailaie, Ibrahim Alshankiti, Mohammed Babkoor, Jason Loiland, Robert Schucker
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-2s6kk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Magnesium- and Calcium-Ion Conductors Via Solid-State Metathesis Reactions

, Authors: Titus Masese, Godwill Kanyolo, Yoshinobu Miyazaki, Shintaro Tachibana, Keigo Kubota, Naoya Ishida, Kohei Tada, Hiroyuki Ozaki, Toyoki Okumura, Sahori Takeda, Sachio Komori, Tomoyasu Taniyama, Yuki Orikasa, Tomohiro Saito
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-s0kks-v6
 
Subject: Chemistry
,
Working Paper
, Title:

Reactions of cold argon plasmas with condensed-phase peptides and proteins for mass spectrometry imaging and structural elucidation

, Authors: Dan McGill, Daniel Simon, Siva Ramadurai, Zoltan Takats
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-sjwlb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Filling a critical need: a lightweight and fast Gaussian puff model implementation

, Authors: Meng Jia, Ryker Fish, William Daniels, Brennan Sprinkle, Dorit Hammerling
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2023-hc95q-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into the microphase separation of polystyrene-b-polyproline: Role of polyprolines' secondary structure

, Authors: Raj Kumar Roy, Arjun Singh Bisht, Subhendu Samanta, Sneha C, Shiv Kumar Alwera
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-1hpjr
 
Subject: Chemistry
,
Working Paper
, Title:

Multiple Emission Peaks Hinder Polariton Condensation in 2D Perovskite Microcavities

, Authors: Martin Gomez-Dominguez, Victoria Quirós-Cordero, Esteban Rojas-Gatjens, Katherine A Koch, Evan J Kumar, Carlo A.R Perini, Natalie Stingelin, Carlos Silva, Ajay Ram Srimath Kandada, Vinod Menon, Juan-Pablo Correa-Baena
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-3w9kv
 
Subject: Chemistry
,
Working Paper
, Title:

Green Pudovik Addition/Cyclization/Aromatization to Isobenzofuran-Based AIEgens with Color Tunability for Lipid Droplets Imaging and Photodynamic Therapy

, Authors: Xin Chang, Xiao-Wen Han, Ni-Ni Zhou, Hai-Tao Zhu, Nan Yang, Chen-Ping Shen, Chunxuan Qi, An-Xi Zhou, Hai-Tao Feng, Ben Zhong Tang
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-lp619
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular characteristics of saturated halogenated disinfection byproducts in chlorinated urban eutrophic lake water elucidated by ultrahigh-resolution mass spectrometry

, Authors: Shixi Wu, Qing-Long Fu, Manabu Fujii, Jibao Liu, Ahmed Elreedy, Xin Yang, Pingqing Fu, Yanxin Wang
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-l1k70
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting C-H activation through hydride affinity and homolytic bond dissociation energies

, Authors: Rasmus M. Borup, Nicolai Ree, Jan H. Jensen
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-0nxcv
 
Subject: Chemistry
,
Working Paper
, Title:

Exploration of crystal chemical space using text-guided generative artificial intelligence

, Authors: Hyunsoo Park, Anthony Onwuli, Aron Walsh
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-rw8p5
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Fragment Binding Modes Using Customized Lennard-Jones Potentials in Short Molecular Dynamics Simulations

, Authors: Christopher Vorreiter, Dina Robaa, Wolfgang Sippl
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-w0jck
 
Subject: Chemistry
,
Working Paper
, Title:

Metabolomics to Assess Treatment Responses to a Single Large Bolus of Enteral Cholecalciferol in Vitamin D Deficient Critically Ill Children: Insights for Precision Nutrition

, Authors: Erick Helmeczi, Haley Pandya, Katie O’Hearn, Dayre McNally, Philip Britz-Mckibbin
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-kcjhb
 
Subject: Mathematics
,
Working Paper
, Title:

Manufacture of Contact Lenses

, Authors: Kevin Moroney, Emma Greenbank, Ferran Brosa Planella, Sean Bohun, William Lee, Leah Keating, Marc Schwarzwalder, Ann Smith, Mark McGuinness, Michael Coughlan, Michael Vynnycky
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.33774/miir-2024-h97vx
 
Subject: Religion
,
Working Paper
, Title:

Investigating the Origins of Satan: Tracing the Connection to the Egyptian God Set

, Authors: Zhaleh Cheraghi
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.33774/coe-2024-dfxv6
 
Subject: Chemistry
,
Working Paper
, Title:

An integral-direct GOSTSHYP algorithm for the computation of high pressure effects on molecular and electronic structure

, Authors: Ansgar Pausch, Felix Zeller, Tim Neudecker
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-8ww6f
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-swing CO2 capture using aminopolymers as sorbents and TiN light absorber

, Authors: Noemi Leick, Sawyer Halingstad, James Crawford, Michael Carroll, Matthew Yung, Randy Cortright, Wade Braunecker
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-b5wjj
 
Subject: Chemistry
,
Working Paper
, Title:

Equations and Electrochemical Methods for Measuring the Interfacial Charge-Transfer Kinetics of Li-ion Battery Active Materials at High Current Densities

, Authors: Kevin Scanlan, Arumugam Manthiram
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-hndjp
 
Subject: Chemistry
,
Working Paper
, Title:

Transmembrane peptide-loaded ionic liquid nanocarriers for targeting ErbB2-positive cancer

, Authors: Helal Abujubara, Pankaj Bharmoria, Samantha Alvarez, Enoch Appiah, Kasper Moth-Poulsen, Volkan Sayin, Alesia Tietze
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-wkw04
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into GTP Hydrolysis by the RhoA Protein: Catalytic Impact of Glutamine Tautomerism

, Authors: Jorge Pardos, Adrián García-Martínez, J. Javier Ruiz-Pernia, Iñaki Tuñón
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-7s826
 
Subject: Chemistry
,
Working Paper
, Title:

Bonding of N-Heterocyclic Carbenes on Metal Nanoparticles

, Authors: Alyssa Santos, Lasse Jensen, Gerald Knizia
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-6phzn
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of a lysosome-targeting aminoferrocene-based prodrug NCure2

, Authors: Maximilian Dill, Dina Attia, Andriy Mokhir
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-r8gmw
 
Subject: Chemistry
,
Working Paper
, Title:

Models and Measurements Quantify Photon Recycling, Charge-Carrier Diffusion, and Photon Scattering Contributions to Photoluminescence in InP Nanowire Arrays

, Authors: Danielle Lustig, Fangqi Chen, Wentao Zhang, Olivia Bird, Javier Fajardo Jr., Shane Ardo, Shu Hu, A. Alec Talin, Rohini Bala Chandran, Justin Sambur
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-jnxq4
 
Subject: Chemistry
,
Working Paper
, Title:

Catching Fullerenes: Synthesis of Molecular Nanogloves

, Authors: Saber Mirzaei, Xiangquan Hu, M. Saeed Mirzaei, Victor M. Espinoza Castro, Xu Wang, Nicholas Figueroa, Tieyan Chang, Ying-Pin Chen, Gabriella Prieto Rios, Natalia Isabel Gonzalez-Pech, Yu-Sheng Chen, Raúl Hernández Sánchez
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-vf8bj
 
Subject: Chemistry
,
Working Paper
, Title:

An Oxidation-Resistant High Entropy Alloy for Aqueous Aluminum-Battery Chemistries

, Authors: Apurva Anjan, Adwitiya Rao, Rohit Manoj, Varad Mahajani, Kevin Bhimani, Xue Yao, Jonathan D. Poplwasky, Chandra Veer Singh, Nikhil Koratkar
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-857hp
 
Subject: Chemistry
,
Working Paper
, Title:

A pH-Responsive Synthetic Module Derived from Alanine to Encapsulate Toxic Dye from Wastewater.

, Authors: Subrata Dolui
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.26434/chemrxiv-2024-ltwxv
 
Subject: Management
,
Research summary
, Title:

Urban Flood Resilience: Risk and Business Continuity Management Systems Strategic Approach

, Authors: Cesar Marolla
Version undefined posted 06 November 2024
Posted
Nov 06, 2024
10.33774/coe-2024-rjg0b
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacing Flexible Design and Social Self-Sorting Enables Comprehensive Control over Photophysical and Self-Assembly Properties of Supramolecular Polymers

, Authors: Nils Bäumer, Saeko Yamada, Soichiro Ogi, Shigehiro Yamaguchi
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-1q4rz
 
Subject: Chemistry
,
Working Paper
, Title:

In vitro evaluation of novel Ru (II) complexes of thiazolhidrazinylidene-chroman-2,4-diones for their potential antibacterial activity

, Authors: Fatlinda Rahmani, Gozde Demirici, Aurelien Crochet, Fabio Zobi
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-sxr17
 
Subject: Chemistry
,
Working Paper
, Title:

DETECTION OF HYDROQUINONE WITH ELECTROCHEMICAL SENSOR USING MXene/Poly Alanine MODIFIED ELECTRODE

, Authors: Shakib Mahmud Ayon, Ruhul Amin, Romzan Ali, Abdul Khaleque, Zaved Hossain Khan
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-6q9mp
 
Subject: Chemistry
,
Working Paper
, Title:

A Cooperative Model for Metallocene Catalyst Activation by Methylaluminoxane

, Authors: Scott Collins, Mikko Linnolahti
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-5j3fm
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox-Catalyzed Access to Fluorinated Pyrroles and γ-Lactams via Switchable C(sp3)-F Bond Functionalization

, Authors: Qiang Liu, Tao Wang, Wan-Zhong Feng, Yuan-Yuan Zong, Li-Zhu Wu
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-xfvpx
 
Subject: Chemistry
,
Working Paper
, Title:

Orthogonal click chemistry methods for preparing amphiphilic polyproline block copolymers: Synthesis and self-assembly

, Authors: Raj Kumar Roy, Arjun Singh Bisht, Ankita Kumari, Prabir Maiti
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-f5kzt
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Enantioenriched 2-((Hetera)cyclo)alkylchromanols and their Spirocyclic Analogs through Enzymatic Resolution

, Authors: Oleksii Timokhin, Anastasiia Romanova, Viktoria Moskvina, Olexandr Kucher, Aleksandr Boiko, Anna Banasevych, Dmytro Durylin, Volodymyr Brovarets, Oleksandr Grygorenko
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-xk9ts
 
Subject: Chemistry
,
Working Paper
, Title:

Multicomponent Syntheses Enable the Discovery of Novel Quisinostat-Derived Chemotypes as Histone Deacetylase Inhibitors

, Authors: Daniel Stopper, Susanna Buntrock, Kathrin Tan, Lais Pessanha de Carvalho, Linda Schäker-Hübner, Jana Held, Matthias Kassack, Finn Kristian Hansen
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-0bp39-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Binding Study of Berenil and d(CGCGAATTCGCG)2 and d(CGCAAATTTGCG)2 DNA Dodecamers by Isothermal Titration Calorimetry and Molecular Docking Simulations

, Authors: Ramon K Rocha, Andrelly Martins-Jose, Vera L Almeida, Angelo ML Denadai, JÚLIO CD LOPES
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-pj924-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Practically significant method comparison protocols for machine learning in small molecule drug discovery.

, Authors: Jeremy R. Ash, Cas Wognum, Raquel Rodríguez-Pérez, Matteo Aldeghi, Alan C. Cheng, Djork-Arné Clevert, Ola Engkvist, Cheng Fang, Daniel J. Price, Jacqueline M. Hughes-Oliver, W. Patrick Walters
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-6dbwv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

, Authors: WANXIANG SHEN, Chao Cui, Xiaorui Su, Zaixi Zhang, Alejandro Velez-Arce, Jianming Wang, Xiang Cheng Shi, Yan Bing Zhang, Jie Wu, Yu Zong Chen, Marinka Zitnik
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2023-5cz7s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The power of Hellmann-Feynman theorem: Kohn-Sham DFT energy derivatives with respect to the parameters of exchange-correlation functional at linear cost

, Authors: Evgeny M. Kadilenko, Roland Grinis
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2023-jp112-v4
 
Subject: Chemistry
,
Working Paper
, Title:

New method for extraction, identification and quantification of Non-Intentionally Added Substances (NIAS) in polystyrene

, Authors: Sacha Pérocheau Arnaud, Véronique MICHELET, Sandra Olivero, Patrick Navard, Christelle Combeaud, Alice Mija
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-jf6fm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tailored anharmonic potential energy surfaces for infrared signatures

, Authors: Janine Hellmers, Pascal Czember, Carolin König
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-1nkq0-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Protein-driven electron transfer process in a fatty acid photodecarboxylase

, Authors: Giacomo Londi, Giacomo Salvadori, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-c0shc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Block-copolymer directed in-situ synthesis of Mesoporous SiCN and Supported Au & Ag nanoparticles for Catalysis

, Authors: Saravana K T Pillai, Gunter Motz, Winfried Kretschmer
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-h9z3q
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Study of γδ TCR+ CAR T-Cell Binding to PSCA and CD23 in Metastatic Prostate Cancer

, Authors: Sahasra Adapa, Gaurav Sharma
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-kbwdc
 
Subject: Chemistry
,
Working Paper
, Title:

Timed formation and aging of complex coacervates using a volatile salt

, Authors: Lunan Yan, Weiwei Zheng, Enola Muller, Philippe Carl, Thomas Hermans, Guillermo Monreal Santiago
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-2k85w
 
Subject: Chemistry
,
Working Paper
, Title:

Rationalizing the “Anomalous” Electrochemical Stark Shift of CO at Pt(111) Through Vibrational Spectroscopy and Density-Functional Theory Calculations

, Authors: Elias Diesen, Mehmet Ugur Coskun, Sergio Diaz-Coello, Vanessa Jane Bukas, Julia Kunze-Liebhäuser, Karsten Reuter
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-kpfsl
 
Subject: Chemistry
,
Working Paper
, Title:

Modern organophotocatalysts: a new inspiration source for Symmetrical Organic Redox Flow Batteries

, Authors: Jules Moutet, Mubarak Md Hossain, Ramandeep Kaur, Tarek H. El-Assaad, Waleed K. Yual, Janelle M. Amegatse, Thomas L. Gianetti
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-7fg0w
 
Subject: Chemistry
,
Working Paper
, Title:

Techno-Economic Analysis of an Integrated Process for Cyanobacteria-Based Nutrient Recovery from Livestock Waste

, Authors: Leonardo D. González, Brenda Cansino-Loeza, Theodore A. Chavkin, Justin D. Gay, Rebecca A. Larson, Brian F. Pfleger, Victor M. Zavala
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-hz3r3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Triethoxysilane-Catalyzed Single and Sequential Regioselective Hydroboration of Terminal Alkynes: Sustainable Access to E-Alkenylboronate and Alkyl Gem-Diboronate Esters by Non-Covalent Interactions

, Authors: Harleen Kaur, Himani Ahuja, Rebeca Arevalo
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-8j44h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Phononic Modulation of Spin-Lattice Relaxation in Molecular Qubit Frameworks

, Authors: Aimei Zhou, Denan Li, Mingshu Tan, Yanpei Lv, Simin Pang, Xinxing Zhao, Zhifu Shi, Jun Zhang, Feng Jin, Shi Liu, Lei Sun
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-db2x4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Waste Polystyrene Upcycling via the Birch Reduction with Ball-Mill Grinding

, Authors: Gyeonghun Kim, Byeongyeol Park, Nayeon Kim, Ye-jin Hwang, Antonio Rizzo, Gregory I. Peterson
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-b0cjw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Calcium Aluminate Cement Hydration Under the Influence of Mineral Acids

, Authors: Lukas Deffner, Marie Collin, Torben Gädt
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-kb13g
 
Subject: Chemistry
,
Working Paper
, Title:

Dissolution-DNP enables the detection of 13C hyperpolarized NMR spectra of Li-ion battery electrolytes

, Authors: Chloé GIOIOSA, Ekaterina V. Pokochueva, James Tolchard, Charlotte Bocquelet, Mohamed Ayman Ennachet, Nghia H. Le, Laurent Veyre, Anne Lesage, Ségolène Laage, Simon Pondaven, Sami Jannin
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-8gvxg
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple Transfer Learning Approach for Assessing Small Datasets in Electrochemical Energy Cells Manufacturing

, Authors: Francisco Fernandez, Soorya Saravanan, Rashen Lou Omongos, Javier Fernandez Troncoso, Diego E. Galvez-Aranda, Alejandro A. Franco
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-69t12
 
Subject: Chemistry
,
Working Paper
, Title:

Data Science-Driven Discovery of Optimal Conditions and a Condition-Selection Model for the Chan-Lam Coupling of Primary Sulfonamides

, Authors: Shivaani Gandhi, Giselle Brown, Santeri Aikonen, Jordan Compton, Paulo Neves, Jesus Martinez Alvarado, Iulia Strambeanu, Kristi Leonard, Abigail Doyle
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-22jrq
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Role of Hydroxyl Functionalization in Linear Poly(ethylenimine) for Oxidation-Resistant Direct Air Capture of CO2

, Authors: Anthony J. Varni, Lucas S. Thigpen, Marcos F. Calegari Andrade, Maxwell A. T. Marple, Elwin Hunter-Sellars, Amitesh Maiti, Sichi Li, Simon H. Pang
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-7nzl8
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Cages as Encapsulants for the Stabilization of Reactive Iron-Sulfur Cofactor Models

, Authors: Rupal Baliyan, Gwendolyn Bailey
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-vk5d3
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive Learning Reaction Pathways Search

, Authors: Malgorzata Z Makos, Difan Zhang, Roger Rosseau, Vassiliki-Alexandra Glezakou
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-jc31g
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of intrinsic solubility for drug-like organic compounds using Automated Network Optimizer (ANO) for physicochemical feature and hyperparameter optimization

, Authors: You Kyoung Chung, Seung Jin Lee, Junho Lee, Himchanvit Cho, Sung-Jin Kim, Joonsuk Huh
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-mp291
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Predictive Models of Acrylates Free Radical Polymerization in Solution: The Key Role of Solvent-induced Cage Effects

, Authors: Francesco Serse, Matteo Salvalaglio, Matteo Pelucchi
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-53jpl
 
Subject: Chemistry
,
Working Paper
, Title:

Simulating lithium deposition on planar anode: the role of particle reservoir and the influence of dendrite growth on current density profiles

, Authors: Paula Valentina Saravia, Cecilia Andrea Calderón, Ezequiel Pedro Marcos Leiva, Sergio Alexis Paz
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-60b57
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Enabled Pathway Complexity in Supramolecular Hydrogels

, Authors: Aleksander Bartnik, Lilian Zeinalvand, Dylan Kodira, Pushp Raj Prasad, Joseph Patterson, Seunghyun Sim
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-xpd9p
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid and selective formic acid dehydrogenation catalysis by molecular ruthenium hydrides supported by rigid PCcarbeneP pincer ligands

, Authors: Laurie Donnelly, Warren Piers, Benjamin Gelfand
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-z5rtb
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing polymerisation defects and formation mechanisms in aldol condensation for conjugated polymers via high-resolution molecular imaging

, Authors: Xiaocui Wu, Stefania Moro, Adam Marks, Maryam Alsufyani, Zidi Yu, Luís Perdigão, Xingxing Chen, Alexander Luci, Callum Crockford, Simon Spencer, David Fox, Jian Pei, Iain McCulloch, Giovanni Costantini
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-mjnc4
 
Subject: Chemistry
,
Working Paper
, Title:

Methyl viologen as a catalytic acceptor for electron donor-acceptor photoinduced cyclization reactions

, Authors: Rubaishan Jeyaseelan, Wenheng Liu, Jens Zumbusch, Line Næsborg
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-r1jz0
 
Subject: Chemistry
,
Working Paper
, Title:

New gravimetric method for determination of total dissolved solids and percentage extraction for coffee-chicory mixture

, Authors: Raksha U, Nanishankar Harohally
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.26434/chemrxiv-2024-rzgqq
 
Subject: Psychiatry
,
Video
, Title:

Neuroimmune-Mediated Mood/Psychotic Syndromes: A case Series (n=45) Treated with Immunotherapy

, Authors: Elizabeth M Scott
Version undefined posted 07 November 2024
Posted
Nov 07, 2024
10.33774/coe-2024-rm4z9
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Synthesis and Properties of Fluorinated Cationic Triangulenes and Their Precursors

, Authors: Ramandeep Kaur, Jules Moutet, Thomas L. Gianetti
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-gt89f
 
Subject: Chemistry
,
Working Paper
, Title:

Anisotropic activations controlling doublet-quartet spin conversion of linked chromophore-radical molecular qubits in fluid

, Authors: Yasuhiro Kobori, Yuya Kokado, Tsubasa Okamoto, Masaaki Fuki
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-jfv93
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Mechanism of Kainate Receptor and Identifying its Inhibitors Using In-Silico Techniques

, Authors: Amrutha Kara, Gaurav Sharma
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-bjcbm
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Self-initialized Local Thermalizing Lindblad Operators for Variational Quantum Algorithm with Quantum Jump: Implementation and Performance

, Authors: ZHIHAO LAN, Wanzhen Liang
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-c2jf7
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate and Affordable Simulation of Molecular Infrared Spectra with AIQM Models

, Authors: Yi-Fan Hou, Cheng Wang, Pavlo O. Dral
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-r5prt
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Committee Neural Network Potential Energy Surfaces for Two-Dimensional Metal-Organic Frameworks

, Authors: Yuliang Shi, Farnaz A. Shakib
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-9hmsb
 
Subject: Chemistry
,
Working Paper
, Title:

Microneedle arrays coated with Middle East respiratory syndrome coronavirus DNA vaccine via electrospray deposition

, Authors: Sarah Park, Nandita Jhumur, Yaxin Mo, Emran Lallow, Jerry Shan, Jeffrey Zahn, Joel Maslow, Hao Lin, David Shreiber, Jonathan Singer
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-wpl90
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Free Energy Calculation via Multiscale Simulations Driven by Hybrid Machine Learning and Molecular Mechanics Potentials

, Authors: Xujian Wang, Junmei Wang, Xiongwu Wu, Bernard Brooks
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-zq975
 
Subject: Chemistry
,
Working Paper
, Title:

Precursor Reaction Pathway Leading to BiFeO3 Formation: Insights from Text-Mining and Chemical Reaction Network Analyses

, Authors: Viktoriia Baibakova, Kevin Cruse, Michael Taylor, Carolin Sutter-Fella, Gerbrand Ceder, Anubhav Jain, Samuel Blau
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-xj01h
 
Subject: Chemistry
,
Working Paper
, Title:

A Deep Learning with Expert Augmentation Approach for Route Scoring in Organic Synthesis

, Authors: Guo Yujia, Mikhail Kabeshov, Tat Hong Duong Le, Samuel Genheden, Giulia Bergonzini, Ola Engkvist, Samuel Kaski
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-tp7rh
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Cavity Strong Coupling on Single Electron Transfer Reaction at Electrode-Electrolyte Interface

, Authors: Takahiro Hayashi, Tomohiro Fukushima, Kei Murakoshi
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-51wmm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Loaded ROS-Responsive Theranostic Lenvatinib-Prodrug Nanoparticles Produced by Dispersion Polymerization

, Authors: Sarah Spiewok, Felicitas Jansen, Jiaying Han, Markus Lamla, Max von Delius, Christian Trautwein, Laura De Laporte, Alexander JC Kuehne
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-hp2dx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Magnetic Ion Substitution on the Crystal Structure of Multiferroic Aurivillius Phases

, Authors: Jennifer Halpin, Michael Schmidt, Roger W. Whatmore, Lynette Keeney
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-dl4jj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

How Charge Regulation Affects pH-Responsive Ampholyte Uptake in Weak Polyelectrolyte Brushes

, Authors: Keerthi Radhakrishnan, David Beyer, Christian Holm
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-b10lj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting the Enhanced Chemical Reactivity in Water Microdroplets: The Case of a Diels-Alder Reaction

, Authors: Ke Gong, Abhijit Nandy, Zhexuan Song, Quan-Song Li, Ali Hassanali, Giuseppe Cassone, Shibdas Banerjee, Jing Xie
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-wwgs1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Orbital Exchange Calculations: An Alternative View of the Chemical Bond

, Authors: Paul Merrithew
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-ld07b-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Tree-Transformer VAE with fragment tokenization for high-performance large chemical generative model

, Authors: Tensei Inukai, Aoi Yamato, Manato Akiyama, Yasubumi Sakakibara
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-77vhr-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Morphology of Lithium Halides in Tetrahydrofuran from Molecular Dynamics with Machine Learning Potentials

, Authors: Marinella de Giovanetti, Sondre H. Hopen Eliasson, Sigbjørn Løland Bore, Odile Eisenstein, Michele Cascella
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-mxjqn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Learning Assisted Proton Pure Shift NMR Spectroscopy

, Authors: Veera Mohana Rao Kakita, D. Flemming Hansen
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-ln3pk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Slow dynamical modes from static averages

, Authors: Timothée Devergne, Vladimir Kostic, Massimiliano Pontil, Michele Parrinello
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-8752d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tracking the Fate of Therapeutic Proteins Using Ratiometric Imaging of Responsive Shortwave Infrared Probes

, Authors: Pradeep Shrestha, Nimit Patel, Joseph Kalen, Syed Usama, Martin Schnermann
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-zc58k
 
Subject: Chemistry
,
Working Paper
, Title:

Chalcogen Vacancies as Key Drivers of Distinct Physicochemistry in MoS2, MoSe2, and MoTe2 Transition-Metal Dichalcogenide Monolayers

, Authors: Emilia Piosik, Maciej J. Szary
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-p6qn3
 
Subject: Chemistry
,
Working Paper
, Title:

Diethylzinc-Amylates – Selective Halogen-Zinc Exchange Reagents at Room-Temperature

, Authors: Florian Trauner, Bilel Boutet, Flavie Rambaud, Van Nhi Ngo, dorian didier
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-52hq3
 
Subject: Chemistry
,
Working Paper
, Title:

Examining proton conductivity of metal-organic frameworks by means of machine learning

, Authors: Ivan Dudakov, Sergei Savelev, Iurii Nevolin, Artem Mitrofanov, Vadim Korolev, Yulia Gorbunova
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-tzs1z
 
Subject: Chemistry
,
Working Paper
, Title:

Accuracy of One-Electron Technique for Estimating LUMO Energies of Triphenylamine Derivatives

, Authors: Benjamin Parks, Grant Kelly, Pamela Ubaldo, Peshala Jayamaha, Lichang Wang
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-0q839
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of Inhibitors for Amyloid-beta in Alzheimer's Disease and Cerebral Amyloid Angiopathy

, Authors: Aarav Vakani, Gaurav Sharma
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-z4k0k
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Analysis of IL-13Rα2 Specific CAR T-Cells in Glioblastoma Multiforme (GBM)

, Authors: Kaavya Vemuri, Gaurav Sharma
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-nt6g8
 
Subject: Mathematics
,
Working Paper
, Title:

Computation of Novel Binomial Series and Theorems using Bivariable Geometric Series based on Algebraic Expression

, Authors: Chinnaraji Annamalai
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/coe-2023-3ch85-v8
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The a priori theory of everything

, Authors: Aleksandr Rybnikov
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/coe-2024-0g945
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Application of Lorentz transformations to the Schwarzschild metric

, Authors: Vladimir Belayev
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/coe-2024-267zc
 
Subject: Mathematics
,
Working Paper
, Title:

Advanced Applications of the Residue Theorem in Complex Analysis: Derivatives, Loop Integrals, and Root Structures

, Authors: WEN-XIANG CHEN
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/coe-2024-7hk4l
 
Subject: Mathematics
,
Working Paper
, Title:

Collatz Sequence Proof (1st Way)

, Authors: Taha Muhammad
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/coe-2024-c4f7p-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Tunneling of 7Li Spins in Argyrodite-Type Solids

, Authors: H. Martin R. Wilkening
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-rg1xg
 
Subject: Chemistry
,
Working Paper
, Title:

Repurposing hemoproteins for metal-catalyzed H atom transfer in asymmetric radical biocatalysis

, Authors: Xiang Zhang, Dongping Chen, Thomas Ward
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-dhxpx
 
Subject: Chemistry
,
Review
, Title:

Delving Into the Design and Implementation of Specifications Grading Systems in Higher Education: A Systematic Review

, Authors: William J. Howitz, Kate J. McKnelly, Renée D. Link
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-d0tf6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Two-dimensional Bi2SeO2 and Its Native Insulators for Next-Generation Nanoelectronics

, Authors: Pedram Khakbaz, Dominic Waldhoer, Mina Bahrami, Theresia Knobloch, Mahdi Pourfath, Mohammad Rasool Davoudi, Yichi Zhang, Xiaoyin Gao, Hailin Peng, Michael Waltl, Tibor Grasser
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-72gpv
 
Subject: Chemistry
,
Working Paper
, Title:

Odor Classification: Exploring Feature Performance and Imbalanced Data Learning Techniques

, Authors: Durgesh Ameta, Laxmidhar Behera, Aniruddha Chakraborty, Tushar Sandhan, Surendra Kumar, Rishav Mishra
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-76drx
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Relaxation Kinetics of Anisotropic Colloidal Nanoparticles in Acceleration Fields beyond 7251 Times Gravity: Liquid Crystalline Self-Assembly with Higher Rates and Structural Orderliness

, Authors: Pei-Xi Wang, Ling-Yan Xu, Hongbo Zhao
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.26434/chemrxiv-2024-wrjln
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Alternate Norms: New Contestation Theory on Subsidiary Norms in the Changing World Order

, Authors: Obinna Ifediora
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/apsa-2024-3hlkr-v2
 
Subject: Education
,
Working Paper
, Title:

Recursive index for assessing value added of individual scientific publications

, Authors: Eldar Knar
Version undefined posted 08 November 2024
Posted
Nov 08, 2024
10.33774/coe-2024-m32bc
 
Subject: Chemistry
,
Working Paper
, Title:

A General Redox-Neutral Platform for Radical Cross-Coupling

, Authors: Áron Péter, Jiawei Sun, Jiayan He, Jet Tsien, Haoxiang Zhang, Benjamin Vokits, David Peters, Michael Mandler, Maximilian Palkowitz, Yu Kawamata, Phil Baran
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-40szn
 
Subject: Chemistry
,
Working Paper
, Title:

Stable ammonia synthesis at milder and intermittent conditions on laser-induced graphene supported barium promoted Ruthenium catalyst

, Authors: Fouzia Hasan Nowrin, Mahdi Malmali
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-4kcvd
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying the kinetics factors of the oxidase-like Ce/Fe-bimetallic nanozymes

, Authors: Mohammad Reza Hormozi Jangi
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-rwlb4
 
Subject: Chemistry
,
Working Paper
, Title:

Correlation Between NMR Coupling Constants and σ-Donating Properties of N-Heterocyclic Carbenes and Their Derivatives

, Authors: Radhika Gupta, Gilles Frison
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2023-wq2c1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Surfactant Control of Interfacial Reaction Rates in Aqueous Microdroplets

, Authors: Alexander Prophet, David Limmer, Kevin Wilson
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-mj9gg
 
Subject: Chemistry
,
Working Paper
, Title:

New Isostructural Family of Mixed-Metal Na-M(III)-MOFs Based on Glycolic Acid

, Authors: Bastian Achenbach, Christian Näther, Norbert Stock
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-cd3pj
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions

, Authors: Philipp Pracht
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-qmcz4
 
Subject: Chemistry
,
Working Paper
, Title:

Active learning FEP using 3D-QSAR for prioritizing bioisosteres in medicinal chemistry

, Authors: Venkata Krishnan Ramaswamy, Matthew Habgood, Mark Mackey
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-d9fwk
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral N-Alkylfluorenyl-Substituted N-Heterocyclic Carbenes in Gold(I)-Catalyzed Enantioselective Cycloisomerization of 1,6-Enynes

, Authors: Robin Heinrich, Giovany Marie-Rose, Christophe Gourlaouen, Patrick Pale, Eric Brenner, Aurélien Blanc
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-qrnt9
 
Subject: Chemistry
,
Review
, Title:

Field-dependent relaxation profiles of biomolecular systems

, Authors: Adam Kubrak, Rajka Pejanovic, Kahinga Kamau, Danuta Kruk, Fabien Ferrage, Giacomo Parigi
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-0x8b4
 
Subject: Chemistry
,
Working Paper
, Title:

Organic Solubility Prediction at the Limit of Aleatoric Uncertainty

, Authors: Lucas Attia, Jackson W. Burns, Patrick S. Doyle, William H. Green
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-93qp3
 
Subject: Chemistry
,
Working Paper
, Title:

Computing Ligand Binding Free Energy in a Large Flexible Pocket of a Large Protein

, Authors: Evgeny Gutkin, Chamali Narangoda, Maria Kurnikova
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-87xr8
 
Subject: Chemistry
,
Working Paper
, Title:

Electrically Conducting Porous Hydrogels by a Self-Assembled Percolating Pristine Graphene Network

, Authors: Reihaneh Mohammadi Sejoubsari, Thomas Xu, Shawn Ward, Nishadi Bandara, Zhihao Zhang, Douglas Adamson
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-hs69p
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Entangled Hydrogels by Photoiniferter-Mediated RAFT Polymerization

, Authors: Gavin Irvine, Konstantinos Myronidis, Fulvio Pinto, Maciej Kopeć
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-9xqnn
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing the rectification effect of hydrogel-based stretchable ionic diodes through incorporating cations with high valence

, Authors: Pengfei Xu, Xia Wu, Peng Pan, Xinyu Liu
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-4hr3j
 
Subject: Chemistry
,
Working Paper
, Title:

Nonenzymatic Carboxylate Phosphorylation in Water

, Authors: Weiqiang Chen, Joris Zimmermann, Jonas Dechent, Joseph Moran
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-pjx2h
 
Subject: Chemistry
,
Working Paper
, Title:

Carbon footprint comparison of liquid organic hydrogen carriers cycled thermochemically and electrochemically

, Authors: Moses D. Chilunda, Sarvarjon A. Talipov, Elizabeth J. Biddinger
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-7f2l6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Extreme Isotopic Fractionation in CO and H2 Formed in Formaldehyde Photolysis; Theory and Experiment

, Authors: Luisa Pennacchio, Zacharias Liasi, Andreas E. Hillers-Bendtsen, Thomas Röckmann, Kurt Mikkelsen, Matthew S. Johnson
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-vd15w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Approaches for Determining Molecular Packing of Organic Semiconductors: Toward Accurate Crystal Structure Prediction

, Authors: Takuya Seki, Yudai Shinozaki, Ryosuke Ito, Shunsuke Sato, Jun Takeya, Toshihiro Okamoto, Go Watanabe
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-pvk9d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Symmetry-breaking charge-separation in a subphthalocyanine dimer resolved by two-dimensional electronic spectroscopy

, Authors: Giovanni Bressan, Isabelle Chambrier, Andrew Cammidge, Stephen Meech
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-864rm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Assembly, Rearrangement and Disassembly of {Cr6} Horseshoe Oligomers

, Authors: Niklas Geue, Dhaneesh Gopalakrishnan, Jimin Ham, Shengpeng Huang, Grigore Timco, Neil Burton, Richard Winpenny, Kelvin Anggara, Perdita Barran
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-zfhsx
 
Subject: Chemistry
,
Working Paper
, Title:

Direct photochemical control of imine exchange reactions

, Authors: Harry Robson, Petr Kovaricek
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-q7rc7
 
Subject: Chemistry
,
Working Paper
, Title:

Versatile sulfidation of a metal-organic framework via heterolytic splitting of organo sulfides at distorted Zr-nodes

, Authors: Qining Wang, Simon M. Vornholt, Patrick Melix, Filip Formalik, Zhihengyu Chen, Luke M. Tufaro, Jian Liu, Boris V. Kramar, Zhiwei Wang, Lin X. Chen, Randall Q. Snurr, Karena W. Chapman, Justin M. Notestein, Joseph T. Hupp
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2023-z007q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging High-throughput Molecular Simulations and Machine Learning for Formulation Design

, Authors: Alex K. Chew, Mohammad Atif Faiz Afzal, Zach Kaplan, Eric M. Collins, Suraj Gattani, Mayank Misra, Anand Chandrasekaran, Karl Leswing, Mathew D. Halls
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-4lff6-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Reactivity of an Olefin Metathesis-Catalyzing Ruthenium Complex with a Selenoether Moiety in the Benzylidene Ligand

, Authors: Tsubasa Kinugawa, Seishu Mitsusada, Naoki Orito, Takashi Matsuo
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-z2k6b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Borate-Catalysed Direct Amidation Reactions of Coordinating Substrates

, Authors: Richard Procter, Carla Alamillo-Ferrer, Usman Shabbir, Phyllida Britton, Dejan-Krešimir Bučar, Alexandre Dumon, Henry Rzepa, Jordi Bures, Andrew Whiting, Tom Sheppard
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-b1lz5
 
Subject: Chemistry
,
Working Paper
, Title:

Data Efficiency of Classification Strategies for Chemical and Materials Design

, Authors: Quinn Gallagher, Michael Webb
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-1sspf-v3
 
Subject: Chemistry
,
Working Paper
, Title:

ChIMES Carbon 2.0: A Transferable Machine-Learned Interatomic Model Harnessing Multifidelity Training Data

, Authors: Rebecca Lindsey, Sorin Bastea, Sebastien Hamel, Yanjun Lyu, Nir Goldman, Vincenzo Lordi
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-s1fs5-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Minimum Energy Conical Intersection Optimization Using DFT/MRCI(2)

, Authors: Tzu Yu Wang, Simon P. Neville, Michael S. Schuurman
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-3h77f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of Hydrophobicity in Micropores of Metal-Organic Framework Materials

, Authors: Steven William Rutherford
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-h1x6w-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Computing the Sum of Geometric Series based on Algebraic Expression

, Authors: Chinnaraji Annamalai
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.33774/coe-2024-sb8lc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Nanodroplets of Metal Carbonate Conform to Critical Nuclei of Classical Nucleation Theory

, Authors: Shu Li Li, Lin Yi-Tan, Hsi-Ching Tseng, Yuan-Jia Fan, Shing-Jong Huang, Eric Chung-Yueh Yuan, Chun-Yi David Lu, Jerry Chun Chung Chan
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-16j0s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoproteomic identification of a phosphohistidine acceptor: Insights into posttranslational regulation of glycolysis

, Authors: Solbee Choi, Seungmin Ahn, Kyung Hyun Cho, Sung Kuk Lee, Jung-Min Kee
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-vh5mm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Prescreening of Liquid Density and Surface Tension for Synthetic Aviation Turbine Fuels by Nuclear Magnetic Resonance Atom Types

, Authors: Robert Parker, Mark Kelly, Tiarnán Watson-Murphy, Mohammad Reza Ghaani, Stephen Dooley
Version undefined posted 11 November 2024
Posted
Nov 11, 2024
10.26434/chemrxiv-2024-v3m2s
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of DNA Chemical Denaturation

, Authors: Daniel Ostrovsky, Mikhail Ostrovsky
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-gstxb
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Molecular and Two Dimensional Metalloporphyrin Catalysts for the Electrochemical CO2 Reduction Reaction

, Authors: Amira Uddin, Rachel Crespo-Otero, Devis Di Tommaso
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-16402
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehensive evaluation of the analytical efficiency of combustion ion chromatography for per- and polyfluoroalkyl substances in biological and environmental matrices

, Authors: John Michael Aguilar, Mindula Wijayahena, Logan Running, Kharittha Phatthanawiwat, Aree Choodum, Joshua Wallace, Diana Aga
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-l43p2
 
Subject: Chemistry
,
Working Paper
, Title:

Merging Photoexcited Nitroarenes with Lewis Acid Catalysis for the Anti-Markovnikov Oxidation of Alkenes

, Authors: Joshua Paolillo, Mahmoud Saleh, Ethan Junk, Marvin Parasram
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-3mcc5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Univariate Prediction of Hammett Parameters and Select Relative Reaction Rates Using Loewdin Atomic Charges

, Authors: Gautam Stroscio, Nir Goldman
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-fgz5m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Rotator Phases in Chemically Recyclable Oligocyclobutanes

, Authors: Hang Zhang, Shawn Maguire, Cherish Nie, Rodney Priestley, Paul Chirik, Richard Register, Emily Davidson, Michael Webb
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-s1dj5-v3
 
Subject: Life Sciences
,
Poster
, Title:

Māori Sleep Health Across the Lifespan: Scoping Review of New Zealand Research

, Authors: Sally Baddock, Angela Campbell, Rachelle Love, Sarah-Jane Paine
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.33774/coe-2024-vzmjv
 
Subject: Life Sciences
,
Poster
, Title:

Lyme Disease Experience Survey 2024 - UK Responses Summary Posters

, Authors: Anne Cruikshank, Zahra Husain, Nicola Lawrence, Elizabeth Murray
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.33774/coe-2024-qh6sz
 
Subject: Chemistry
,
Working Paper
, Title:

Resorcinol–Formaldehyde/TiO2 Polymer Composites: Efficient Photocatalysts for Water Oxidation to Hydrogen Peroxide

, Authors: Addisalem Abebe, Ravinder Kaushik, Sunil Kumar, Iswar Chandra Mondal, Subrata Ghosh, Aditi Halder
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-8hcwc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfur-locked multiple resonance emitters for high performance orange-red/deep-red OLEDs

, Authors: Yexuan Pu, Qian Jin, Yuewei Zhang, Chenglong Li, Lian Duan, Yue Wang
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-6vqxf
 
Subject: Chemistry
,
Working Paper
, Title:

Cells Respond to ECM Contexts via Integrin-Ligand Lifetimes: Rediscovery of Loading Rate Enhancement through Bayesian Refinement of Force Spectrum Analysis

, Authors: Xueyi Yang, Xu Zhang, Yue Xu, Chuanwen Guo, Shenghan Gao, Huitong Jin, Chun Yang
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-sgrqh
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding Substrate Binding and Reactivity of Stearoyl-CoA Desaturase (SCD1) through Classical and Multiscale Molecular Dynamics Simulations

, Authors: Janko Čivić, Iñaki Tuñón, Jeremy Harvey
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-58xnt
 
Subject: Chemistry
,
Working Paper
, Title:

Anti-Friedel-Crafts alkylation via electron donor-acceptor photoinitiated autocatalysis

, Authors: David M. Vahey, Manting Mu, Shannon A. Bonke, Timo Sommer, Prithvi Vangal, Carl Mallia, Max García-Melchor, Erwin Reisner
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-g31v9
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of 2-Aminobenzo[b]thiophenes via an Intramolecular Dehydrogenative C–S Bond Formation Effected by Iodine(III) Reagents

, Authors: Dmitry Bugaenko, Alexander Karchava
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-g66jr
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced stability and properties of benzene-1,3,5-tricarboxamide supramolecular copolymers through engineered coupled equilibria

, Authors: Huanjun Kong, Antonio Valverde-González, Régina Maruchenko, Laurent Bouteiller, Matthieu Raynal
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-7rt69
 
Subject: Education
,
Poster
, Title:

Mastering Voice Onset Time (VOT) in Second Language (L2) Learning: The Role of Cognition, Perception, and Experience in Achieving Native-Like Proficiency.

, Authors: Linda Bakkouche, Brechtje Post, John Williams
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.33774/coe-2024-vmkdm
 
Subject: Chemistry
,
Working Paper
, Title:

Enzymatic metal-hydrogen atom transfer with a cobalt protoporphyrin cofactor

, Authors: Lydia Perkins, Carly Masonheimer, Michael Rourke, Reece Gardner, Ryan Hall, Thomas Brunold, Andrew Buller
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-qpr3t
 
Subject: Chemistry
,
Working Paper
, Title:

Design and Evaluation of Dansyl-Derived Chemosensors for Disulfide-Cleavage-Triggered Detection: Photophysical, Metal Sensing, and Thermometric Applications

, Authors: Igor Lourenço, Frederico Duarte, Georgi M. Dobrikov, Atanas Kurutos, José Luis Capelo-Martinez, Hugo M Santos, Carlos Lodeiro
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-jl88c
 
Subject: Chemistry
,
Working Paper
, Title:

Electric Field’s Dueling Effects through Dehydration and Ion Separation in Driving NaCl Nucleation at Charged Nanoconfined Interfaces

, Authors: Ruiyu Wang, Pratyush Tiwary
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-00f19
 
Subject: Chemistry
,
Working Paper
, Title:

Math matters or maybe not: An astonishing independence between math and rate of learning in chemistry

, Authors: Kenneth R. Koedinger, Mark Blaser, Elizabeth A. McLaughlin, Hui Cheng, David J. Yaron
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-bms6x
 
Subject: Language and Linguistics
,
Poster
, Title:

Incidental learning of phonetically (un)motivated tone sandhi patterns by tonal and non-tonal L1 speakers

, Authors: Xinbing Luo, John Williams, Brechtje Post
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.33774/coe-2024-xhswk
 
Subject: Chemistry
,
Review
, Title:

Computational Studies on the Functional and Structural Impact of Pathogenic Mutations in Enzymes

, Authors: Upeksha C. Dissanayake, Arkanil Roy, Yazdan Maghsoud, Sarthi Polara, Tanay Debnath, G. Andrés Cisneros
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-4jf0z
 
Subject: Chemistry
,
Working Paper
, Title:

Schedule Optimization for Chemical Library Synthesis

, Authors: Qianxiang Ai, Fanwang Meng, Runzhong Wang, J. Cullen Klein, Alexander G. Godfrey, Connor W. Coley
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-0n73z
 
Subject: Chemistry
,
Working Paper
, Title:

Ion pairing in aqueous tetramethylammonium–acetate solutions by neutron scattering and molecular dynamics simulations

, Authors: Ngoc Lan Le Nguyen, Ondrej Tichacek, Pavel Jungwirth, Hector Martinez-Seara, Philip E. Mason, Elise Duboué-Dijon
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-b804r
 
Subject: Chemistry
,
Working Paper
, Title:

Surface-Functionalized Layered Double Hydroxides (LDHs) Nanoplatelets for Enhanced Thermal Stability of Plasticized Polyvinyl Chloride (PVC) films

, Authors: Hossein Ipakchi, Kushal Panchal, Roozbeh Mafi, Li Xi
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-lj0fb
 
Subject: Language and Linguistics
,
Poster
, Title:

Towards a re-evaluation of egocentric behaviour in perspective-taking: the role of stimuli selection

, Authors: Dimitrios Kastanas, Napoleon Katsos
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.33774/coe-2024-hp4qt
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed [4+1] Sila-Cycloaddition: A Divergent Synthesis of Silacarbocycles from Trichlorosilanes

, Authors: Liangliang Qi, Peng-Fei Xu, Yu-Ke Wu, Xiaobo Pang, Xing-Zhong Shu
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-pc23m
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-agent-network-based idea generator for zinc-ion battery electrolyte discovery

, Authors: Matthew J. Robson, Shengjun Xu, Zilong Wang, Qing Chen, Francesco Ciucci
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-b7pr1
 
Subject: Chemistry
,
Working Paper
, Title:

Dye-loaded polymeric nanorods as bright fluorescent nano-platforms for efficient cellular uptake and bioimaging

, Authors: Remi Pelletier, Anila Hoskere Ashoka, Deep S. Biswas, Elisabete Cruz Da Silva, Andrey S. Klymchenko
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-8xjfw
 
Subject: Chemistry
,
Working Paper
, Title:

Boron, Aluminium, and Gallium Fluorides as Catalysts for the Defluorofunctionalisation of Electron-Deficient Arenes: The Role of NaBArF4 Promoters

, Authors: Wenbang Yang, Andrew White, Mark Crimmin
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-dqlqf
 
Subject: Chemistry
,
Working Paper
, Title:

Greenhouse Gas Accounting Procedures in Low Carbon Fuel Policies Lead to Undervalued Benefits of Miscanthus-based Sustainable Aviation Fuel

, Authors: Dalton Stewart, Wenjun Guo, Yalin Li, Xinxin Fan, Jonathan Coppess, Madhu Khanna, Jeremy Guest
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-lnmv4
 
Subject: Chemistry
,
Working Paper
, Title:

Oxetane as a part of modern medicinal chemistry toolbox: the case of 3,3-disubstituted building blocks

, Authors: Eduard Litskan, Oleksandr Semenchenko, Serhii Lynnyk, Dmitry Granat, Bohdan Vashchenko, Anastasiia Hoida, Daria Tolmachova, Dmytro Leha, Oleksandr Grygorenko, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-95r5v
 
Subject: Chemistry
,
Working Paper
, Title:

The use of Ni(cod)(dq) (COD: 1,5-cyclooctadiene; DQ: duroqui-none) for the dehalogenative coupling polycondensation to π-conjugated polyarylenes

, Authors: Naoki Noda, Maho Umeda, Kentaro Okano, Masaki Horie, Atsunori Mori
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-1rfzp
 
Subject: Chemistry
,
Working Paper
, Title:

Seven and more membered cyclic anhydrides in the Castagnoli-Cushman Reaction

, Authors: Mykola Avramenko, Mykhailo Adamovskyi, Andrii Fedyk, Stanislav Prydma, Dmytro Volochnyuk, Serhiy Ryabukhin
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.26434/chemrxiv-2024-s65hn
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Homo Civile and Eidos of Civil Society

, Authors: Eldar Knar
Version undefined posted 12 November 2024
Posted
Nov 12, 2024
10.33774/coe-2024-t9fw8
 
Subject: Chemistry
,
Working Paper
, Title:

Increasing Atomic Electron Cloud Density Leads to Formation of Body Centered Cubic (BCC) Gold

, Authors: Hengfei Gu, Jie Ren, Songquan Wu, Mingyuan Li, Lifeng Zhang, Chengze Liu, Fusen Yuan, Fuzhou Han, Yingdong Zhang, Muhammad Ali, Wenbin Guo, Geping Li
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-4dllk-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Pressure-Controlled Nanopipette Sensing in the Asymmetric-Conductivity Configuration

, Authors: Sebastian A. Skaanvik, Xinyu Zhang, Ian J. McPherson, Yuqing Wang, Anne-Kathrine K. Larsen, Steffan M. Sønderskov, Patrick R. Unwin, Tomaso Zambelli, Mingdong Dong
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-07m1q
 
Subject: Chemistry
,
Working Paper
, Title:

All-graphite microchannel microbial fuel cells with high-power generation and conversion efficiency

, Authors: Linlin Liu, William Varroy, Marc-Antoine Bansept, Changhong Cao, Denis Boudreau, Jesse Greener
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-dtjvk
 
Subject: Chemistry
,
Review
, Title:

Membrane Technology for Pathogenic Virus Removal: A Comprehensive Review of Centralized and Decentralized Water Treatment Processes

, Authors: Rui Wang
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-3v3jg
 
Subject: Chemistry
,
Working Paper
, Title:

Merging Heterogeneous Graphitic Carbon Nitride Photocatalysis with Cobaloxime Catalysis in Uphill Dehydrogenative Synthesis of Anilines

, Authors: Sonia Zoltowska, Stefano Mazzanti, Sara Stolfi, Jingsan Xu, Matej Huš, Ana Oberlintner, Matic Pavlin, Paolo Ghigna, Blaž Likozar, Piero Torelli, Luca Braglia, Davide Ravelli, Maurizio Fagnoni, Iker Agirrezabal-Telleria, Markus Antonietti, Oleksandr Savateev
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-jqmqb
 
Subject: Chemistry
,
Working Paper
, Title:

STD and WLOGSY NMR Based Fingerprinting Reveals Subtle and Biologically Relevant Differences in Short Linear Motif Binding

, Authors: Marwaan Rylands, Daniel Kusza, David Clarke, Beatriz de la Torre, Fernando Albericio, Adrienne Edkins, Clinton Veale
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-n8wc5
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Piancatelli rearrangements of HMF derivatives under microwave activation or subcritical water conditions to produce functionalized hydroxylated cyclopentenones

, Authors: Sparta YOUSSEF-SALIBA, Clémentine MAYET, Elsa VAN ELSLANDE, Géraldine LE GOFF, Jean-Francois BETZER
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-vxxlr
 
Subject: Chemistry
,
Working Paper
, Title:

Statistical Analysis of HAADF-STEM Images to Determine the Surface Coverage and Distribution of Immobilized Molecular Complexes

, Authors: Sungho Jeon, Hannah S. Nedzbala, Brittany L. Huffman, Adam J. Pearce, Carrie L. Donley, Xiaofan Jia, Gabriella P. Bein, Jihoon Choi, Nicolas Durand, Hala Atallah, Felix N. Castellano, Jillian L. Dempsey, James M. Mayer, Nilay Hazari, Eric A. Stach
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2023-xxqlv-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging a separation of states method for relative binding free energy calculations in systems with trapped waters

, Authors: Swapnil Wagle, Pascal Merz, Yunhui Ge, Christopher Bayly, David Mobley
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-64r7z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the mechanism of electron-beam-induced structural degradation in ZIF-8 and its electron dose tolerance

, Authors: Pritam Banerjee, Kathrin L. Kollmannsberger, Roland A. Fischer, Joerg Jinschek
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-v3w9x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification of arginine-rich cyclic cell-penetrating peptide-lipid conjugates using trifluoracetic acid-based UPLC-MS/MS analysis

, Authors: Cindy Bay, Philipp Uhl, Andreas D. Meid, Jürgen Burhenne, Walter E. Haefeli, Max Sauter
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-798dv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Theory-driven Discovery of Thermally Stable Mechanophore for Self-strengthening Materials

, Authors: Julong Jiang, Zhi Jian Wang, Ruben Staub, Yu Harabuchi, Alexandre Varnek, Jian Ping Gong, Satoshi Maeda
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-7kf7h
 
Subject: Chemistry
,
Working Paper
, Title:

Stable and responsive atropisomerism around a carbon–iodine bond

, Authors: Naohiko Yoshikai, Shohei Abe, Jun Kikuchi, Arimasa Matsumoto
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-t16qt
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Imidazopyridine Derivatives Targeting Cytochrome bd Oxidase: A Promising Strategy to Combat Tuberculosis

, Authors: Afzal Shaik, Sreecharan Ekambarapu, Nitin Kalia, Srikanth Danaboina, Srinivas Nanduri
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-xt0rj
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of a Concerted Mechanism in Arylmalonate Decarboxylase Expands the Catalytic Scope for Cofactor-free C-C Bond Cleavage

, Authors: Elske van der Pol, Thomas Schlatzer, Gyula Hoffka, Bruno di Geronimo, Johannes Eder, Anna Katharina Schweiger, Marianna Karava, Roland Fischer, Daniel Kracher, Dominik Gross, Romas Kazlauskas, Kenji Miyamoto, Shina Caroline Lynn Kamerlin, Rolf Breinbauer, Robert Kourist
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-r66k2
 
Subject: Chemistry
,
Working Paper
, Title:

Alkyl Sulfonyl Fluorides as Ambiphiles in the Stereoselective, Palladium(II)-Catalyzed Cyclopropanation of Unactivated Alkenes

, Authors: Yilin Cao, Warabhorn Rodphon, Turki Alturaifi, Al Lisboa, Zhouyang Ren, Job Struijs, Hui-Qi Ni, Taras Savchuk, Pavel Mykhailiuk, Richard Loach, Shouliang Yang, Indrawan McAlpine, Donna Blackmond, Peng Liu, K. Barry Sharpless, Keary Engle
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-pdplt
 
Subject: Mathematics
,
Working Paper
, Title:

Novel Technique to compute the Sum of Geometric Series on Fraction

, Authors: Chinnaraji Annamalai
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/coe-2024-x63k8-v2
 
Subject: Mathematics
,
Working Paper
, Title:

Two proofs of the Riemann hypothesis

, Authors: Yukitaka Abe
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/coe-2022-d3nj5-v14
 
Subject: Mathematics
,
Working Paper
, Title:

Novel Method to compute the Sum of Geometric Series on Real Numbers

, Authors: Chinnaraji Annamalai
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/coe-2024-t1sfz
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing the Crystal Structures of Perfluoroiodoarenes (PFIArs) for the Design of Halogen-Bond Donor Catalysts

, Authors: Masayuki KATO, Fumio NAKASHIMA, Naoya OHTSUKA, Yukina NISHIOKA, Atsuto IZUMISEKI, Takeshi FUJINAMI, Shunya OISHI, Toshiyasu SUZUKI, Norie MOMIYAMA
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2023-sq0fl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Assisted Nanopatterning of Tin-based Inorganic Resist: Effect of Peripheral Functional Group Population on Resolution and Sensitivity

, Authors: Santu Nandi, Ketaki Ghosh, Sunil Kumar, Iswar Chandra Mondal, Manvendra Chauhan, Lalit Khillare, Satinder Kumar Sharma, Kenneth E Gonsalves, Subrata Ghosh
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-rlb7j
 
Subject: Chemistry
,
Working Paper
, Title:

Graph neural network for 3-dimensional structures including dihedral angles for molecular property prediction

, Authors: Sri Abhirath Reddy Sangala, Shampa Raghunathan
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-jlwh5
 
Subject: Chemistry
,
Working Paper
, Title:

Active Learning High Coverage Sets of Complementary Reaction Conditions

, Authors: Sofia Sivilotti, David Friday, Nicholas Jackson
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-37bpl
 
Subject: Chemistry
,
Working Paper
, Title:

Access to Arynes from Arenes via Formal Dehydrogenation: Increased Efficiency and Scope, Synthetic Applications and Mechanistic Analysis

, Authors: Riley Roberts, Bryan Metze, Nicole Javaly, Theresa McCormick, David Stuart
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-04r0l
 
Subject: Chemistry
,
Working Paper
, Title:

A Hexametallic Copper Aluminylene Aluminyl

, Authors: Fabian Dankert, Arbias Kadriu, Eva Hevia
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-r1wz8
 
Subject: Chemistry
,
Review
, Title:

Workflows for Artificial Intelligence

, Authors: Jörg Behler, Gábor Csányi, Lucas Foppa, Kisung Kang, Marcel F. Langer, Johannes T. Margraf, Akhil S. Nair, Thomas A. R. Purcell, Patrick Rinke, Matthias Scheffler, Alexandre Tkatchenko, Milica Todorović, Oliver T. Unke, Yi Yao
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-vw06p
 
Subject: Chemistry
,
Working Paper
, Title:

Ni–Mo Composites Deliver Performance Parity with Pt–Ru in Anion Exchange Membrane Water Electrolyzer Cathodes

, Authors: Advay Shirwalkar, Manjodh Kaur, Sichen Zhong, Max Pupucevski, Keda Hu, Yushan Yan, Judith Lattimer, James McKone
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-lcdmt
 
Subject: Chemistry
,
Working Paper
, Title:

Abstraction of Hydride from Alkanes and Dihydrogen by the Perfluorotrityl Cation

, Authors: Derek Leong, Achyut Gogoi, Tapas Maity, Chun-I Lee, Nattamai Bhuvanesh, Osvaldo Gutierrez, Oleg Ozerov
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-lvspd
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfonated Benzo[c]cinnolines for Alkaline Redox-Flow Batteries

, Authors: Siddhant Singh, Jessica Tami, Cameron Gruich, Bichlien Nguyen, Jake Smith, Bryan Goldsmith, Anne McNeil, David Kwabi
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-zrt0b
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescence Microscopy Imaging of Light-Harvesting in Self-Assembled Nanofibers of Naphthalenediimides towards Perylenediimide Guests

, Authors: Ramarani Sethy, Arnaud Brosseau, Takuya Nakashima, Tsuyoshi Kawai, Rémi Métivier
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-0cvjg
 
Subject: Chemistry
,
Working Paper
, Title:

DFT Studies on the Ground State, First Singlet Excited State, and Triplet State of Triphenylamine and Its Dimer

, Authors: Malachi Johns, Muhammad Shahbaz, Lichang Wang
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-lcm9x
 
Subject: Chemistry
,
Working Paper
, Title:

Structural Insights into the Mechanism of a Vanadium-Dependent Bromoperoxidase Enabled by High-Resolution Cryo-EM

, Authors: Logan Z. Hessefort, Dewight R. Williams, Kyle F. Biegasiewicz
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-6mlkx
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Near-Infrared Photogenerated Carrier Transfer via Doublet-State Excitation in D-π-A Structures for Biosensing

, Authors: Hong Yang, Chaofeng Huang, Wang Li, Yongji Wang, Kaiyuan Wang, Zhuang Wang, Ying Wang, Songqin Liu, Yanfei Shen, Yuanjian Zhang
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-43vjq
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Do Personal Issue Priorities Trump Group Policies? Exploring the Impact of Deeply-Held Issues among Latinos using Personalized Conjoint Experiments

, Authors: Yamil Velez
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/apsa-2024-zm53r
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Trust in the Judiciary and Partisan Reactions to Judicial Checks: Evidence from Argentina

, Authors: Martín Gandur
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/apsa-2024-t58p0-v4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

A Solution to the Seat-Product Problem

, Authors: Jack Bailey
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/apsa-2024-1x8ft-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Democratic Co-Production and Co-Creation in Action: The New England Town Meeting

, Authors: Sawyer Rogers
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/apsa-2024-9glvq
 
Subject: Language and Linguistics
,
Poster
, Title:

Supporting the development of Indian primary school children’s reading comprehension skills: A multilingually scaffolded intervention

, Authors: Margreet Vogelzang, Ianthi Tsimpli, Vrishali Patil, Lina Mukhopadhyay
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.33774/coe-2024-z4cbp
 
Subject: Chemistry
,
Working Paper
, Title:

Could HIV-Vif complex docking ligands protect human-A3G?

, Authors: julio coll
Version undefined posted 13 November 2024
Posted
Nov 13, 2024
10.26434/chemrxiv-2024-l0z77
 
Subject: Chemistry
,
Working Paper
, Title:

Analytical Characterization of Interleukin-6 Aggregation During Refolding

, Authors: Yuichi Nakahara, Yuta Endo, Yutaka Matsuda, Shunsuke Yamazaki, Mayumi Watanabe, Yutaka Sato, Masayo Date, Naoyuki Yamada, Yoshiyuki Takahara, Kazutoshi Takahashi, Keisuke Kato, Takahiro Okasora, Daisuke Ejima
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-6rh12
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidant-assisted methane pyrolysis

, Authors: Marco Gigantino, Henry Moise, Dimitri Saad, Jacob Fishman, Alexander Nelson, Harry Voorhis, Eddie Sun, Adam Brandt, Arun Majumdar, Matteo Cargnello
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-5mtf2
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic-Scale Observation of Moiré potential in Twisted Hexagonal Boron Nitride Layers by Electron Microscopy

, Authors: Rina Mishima, Takuro Nagai, Hiroyo Segawa, Masahiro Ehara, Takashi Uchino
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-hbbfj
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Edge-Functionalization of Corannulene-Coronene Hybrid Nanographenes

, Authors: Jovana Stanojkovic, Natalia Terenti, Mihaiela Stuparu
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-v0vcg
 
Subject: Chemistry
,
Working Paper
, Title:

Photodissociation Dynamics of Indole using Multi-Configuration Time-dependent Hartree Method

, Authors: Soumyadip Ray, Sudip Sasmal, Padmabati Mondal
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-wtrg5
 
Subject: Chemistry
,
Review
, Title:

Copper catalyzed expeditious synthesis of α-ketoamides: a review of synthesis and mechanism of reactions

, Authors: Sharada Prasanna Swain, Amit Gautam, Biswa Ranjan Swain, Sonali B. Jethy
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-lws2w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Noncanonical Electron Donor-Acceptor Model: Photoinduced Charge Transfer Between Metal-Based Photocatalyst and Inorganic Base

, Authors: panpan bao, Linbin Niu, Wenjing Zhang, Shi-Jun Li, Yu Lan
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-t1tm5
 
Subject: Chemistry
,
Working Paper
, Title:

A novel approach for the synthesis of MgCl+ and Mg2+ cationic electrolytes: the effect of polydentate ethers on the structure and electrochemistry of chlorides bridged magnesium phenyl aluminates

, Authors: Yogendra Kumar, BEN Dlugatch, Ananya Maddegalla, Yuri Glagovsky, Natalia Fridman, Sri Harsha Akella, Nicole Leifer, Doron Aurbach, Dmitry Bravo-Zhivotovski, Malachi Noked
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-d89tx
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Mechanics on Thermodynamics, Classical Mechanics, Quantum Mechanics

, Authors: Henmei Ni
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-35kds-v6
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular conductance calculations on single-molecule junctions using projection-based density functional embedding

, Authors: Dávid P. Jelenfi, Attila Tajti, Péter G. Szalay
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-vdcjv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Microflow liquid chromatography coupled to multinozzle electrospray ionization for improved lipidomics coverage of 3D clear cell renal cell carcinoma

, Authors: Sergey Girel, Mathieu Galmiche, Mathis Fiault, Valentin Mieville, Patrycja Nowak-Sliwinska, Serge Rudaz, Isabel Meister
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-9mt19-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Asynchronous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles

, Authors: Julian Holland, Malgorzata Makos, Difan Zhang, Loukas Kollias, Mal-soon Lee, Roger Rousseau, Vanda Glezakou, Chris-Kriton Skylaris
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-hcj35-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Association Kinetics for Perfluorinated n-Alkyl Radicals

, Authors: Hrishikesh Ram, Yuri Georgievskii, Sarah Elliott, Stephen Klippenstein
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-9m3pc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Small Molecule pan-Ras Inhibitors Display Tunable Affinity for the Active and Inactive forms of Ras.

, Authors: Charles Parry, Francesca Pellicano, Alexander W. Schüttelkopf, Kim Beyer, Justin Bower, Amy Bryson, Kenneth S. Cameron, Nichole M. Cerutti, Jonathan P. Clark, Stuart Davidson, Keneth Davies, Martin J. Drysdale, Jeffrey Engelman, Anna Estevan-Barber, Andrea Gohlke, Christopher H. Gray, Daniel A. Guthy, Min Hong, Alana Hopkins, Luke Hutchinson, Jennifer Konczal, Michel Maira, Duncan McArthur, Mokdad Mezna, Heather McKinnon, Ridvan Nepravishta, Nils Ostermann, Camila Pasquali, Katie Pollock, Angelo Pugliese, Nicholas Rooney, Niko Schmiedeberg, Paul Shaw, Camilo Velez-Vega, Christopher West, Ryan West, Frederic Zecri, John B. Taylor
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-nsd7r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

What I Learned from Analyzing Accurate Mass Data of 3000 SI Files

, Authors: Mathias Christmann
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-984wc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pairing a Global Optimization Algorithm with EXAFS to Accelerate Prediction of Lanthanide Structures in Solution

, Authors: Thomas Summers, Difan Zhang, Josiane Sobrinho, Ana de Bettencourt-Dias, Roger Rousseau, Vassiliki-Alexandra Glezakou, David Cantu
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-lgkjh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Fast Fourier Transform-Based Distribution of Relaxation Times Analysis for Efficient and Flexible Time-Domain Electrochemical Impedance Characterization

, Authors: Baptiste Py, Francesco Ciucci
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-p2zwf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An atomically precise Pt17 nanocluster: their electronic structure and high activity for a hydrogen evolution reaction

, Authors: Kazutaka Oiwa, Kaoru Ikeda, Ryuki Kurosaki, Kotaro Sato, Naoki Nishi, Haruna Tachibana, Md. Ahsanul Haque, Tokuhisa Kawawaki, Kenji Iida, Yuichi Negishi
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-trrzk
 
Subject: Chemistry
,
Working Paper
, Title:

The transfection potency of lipid nanoparticles containing mRNA depends on relative loading levels

, Authors: Suiyang Liao, Shuangyu Wang, Abishek Wadhwa, Alex Birkenshaw, Kevin Fox, Miffy Hok Yan Cheng, Irafasha C. Credo, Armando Alcazar Magana, Nuthan Vikas Bathula, Chiao Hao Ho, Melody Cheng, Leonard J. Foster, Kenneth W. Harder, Colin J.D. Ross, Pieter R. Cullis, Anna K. Blakney
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-l9fn9
 
Subject: Chemistry
,
Working Paper
, Title:

A Multipoint Validation of Quantification in Capillary Electrophoresis Mass Spectrometry Proteomics: Isobaric Multiplexing with Tandem Mass Tags

, Authors: Laura Rodriguez, Camille Lombard-Banek, Vi Quach, Sam Choi, M. Chiara Manzini, Peter Nemes
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-kqjt2
 
Subject: Education
,
Poster
, Title:

Finding the Human Voice in AI: Insights on the Perception of AI-Voice Clones from MUSHRA and Similarity Tests

, Authors: Linda Bakkouche, Stephanie Cooper, Xinbing Luo, Madeleine Rees, Emily Lau, Charles McGhee, Kai Alter, Brechtje Post, Julia Schwarz
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-mvrz5
 
Subject: Language and Linguistics
,
Poster
, Title:

Uncovering Tibet’s Oldest Religion through AI-enhanced Handwritten Text Recognition

, Authors: Rachael Griffiths, Marieke Meelen
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-6d77x
 
Subject: Computer Science
,
Poster
, Title:

Semantic Error Prediction: Estimating Lexical Complexity in Production

, Authors: David Strohmaier, Paula Buttery
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-x075q
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The seven-dimensional universe

, Authors: Sasidhar Kesanasetty
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2022-68929-v45
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Singularity Analysis in f(R) Gravity and f(Q) Gravity

, Authors: WEN-XIANG CHEN
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-gxpwz
 
Subject: Mathematics
,
Working Paper
, Title:

Functional composition and generalization of natural numbers by decomposition of semiring structure

, Authors: Junya Sebata
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-7z62l-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Advanced Mechanical and Functional Properties of Amphiphilic Polymer Conetworks through Hierarchical Reinforcement with Peptides and Cellulose Nanocrystals

, Authors: Sara T. R. Velasquez, Daseul Jang, Jessica Thomas, Patrick Grysan, LaShanda T. J. Korley, Nico Bruns
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-qq1gb
 
Subject: Chemistry
,
Working Paper
, Title:

AI-driven simulation of stochastic electrochemiluminescence

, Authors: Klaus Mathwig
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-hhnzs
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into CO and H2 Oxidation on Cu/CeO2 Single Atom Catalysts: A Computational Investigation

, Authors: Parinya (Lewis) Tangpakonsab, Alexander Genest, Gareth Parkinson, Günther Rupprechter
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-q61wb
 
Subject: Chemistry
,
Working Paper
, Title:

Antiadhesive glycoconjugate metal complexes targeting pathogens Pseudomonas aeruginosa and Candida albicans

, Authors: Karolina Wojtczak, Emilie Gillon, Diana Bura, Karen Richmond, Megan Joyce, Emma Caraher, Keela Kessie, Trinidad Velasco-Torrijos, Cristina Trujillo, Anne Imberty, Kevin Kavanagh, Gordon Cooke, Joseph P. Byrne
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-wkdpf
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Highly Selective Synthesis of 4-Substituted Tetrahydroquinolines: Substrate Scope and Mechanistic Study

, Authors: Jeanette Piña, Lupita Aguirre, Levi Litwiller, Hai Ly, Michael Crockett, Andy Thomas
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.26434/chemrxiv-2024-rbbcl
 
Subject: Psychology
,
Dataset
, Title:

Sleep Resilience and Variance in Sleep Valuation (SRVIV) Study Dataset

, Authors: Dustin Sherriff, Levi Ward, Danika Calvin, Bryce Klingonsmith, Kara M. Duraccio, Daniel B. Kay
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-2l4zj
 
Subject: Language and Linguistics
,
Poster
, Title:

Dynamic insights into incomplete neutralisation in Beijing Mandarin: retroflex suffixation and rime merger through GAMM analyses

, Authors: Yutong Wang, Mitko Sabev, Brechtje Post
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-t94sh
 
Subject: Language and Linguistics
,
Poster
, Title:

"The pínakas is in the art gallery": Exploring language learning through mixed language input

, Authors: Chrysoula Vassiliu, Ianthi Maria Tsimpli, Mandy Wigdorowitz, Margreet Vogelzang
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-s328p
 
Subject: Language and Linguistics
,
Poster
, Title:

LLMs as supersloppers

, Authors: Ann Copestake, Lucy Duggan, Aurelie Herbelot, Amira Moeding, Eva von Redecker
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-dx12p
 
Subject: Computer Science
,
Poster
, Title:

Less is More: Pre-Training Cross-Lingual Small-Scale Language Models with Cognitively-Plausible Curriculum Learning Strategies

, Authors: Suchir Salhan, Richard Diehl Martinez, Zebulon Goriely, Paula Buttery
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-d0jz7
 
Subject: Scholarly Communication
,
Working Paper
, Title:

HOMO SCIENCE

, Authors: Eldar Knar
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-l2m9d
 
Subject: Psychology
,
Poster
, Title:

Language comprehension and sensorimotor learning with cochlear-implant simulated speech

, Authors: Susan Black, Matt Davis, Abbie Bradshaw
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-9b1b1
 
Subject: Education
,
Poster
, Title:

Teachers’ Voice Matters: Investigating the Effectiveness of Online Audio Feedback in CSL Writing

, Authors: Jia Wang
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-1qn0l
 
Subject: English Language Teaching – Resources for Teachers
,
Poster
, Title:

Can GPT-4 do L2 analytic assessment?

, Authors: Stefano Banno, Hari Krishna Vydana, Kate Knill, Mark Gales
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-401fm
 
Subject: Management
,
Working Paper
, Title:

The Role of Artificial Intelligence in Innovation and Leadership

, Authors: Ola Farid
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-k6k22
 
Subject: Economics
,
Working Paper
, Title:

Bank Branch Closures and Staff Cutbacks in Peripheral Areas of the European Union: Impact on Micro and Small Enterprises Sustainability. An Evolutionary Perspective

, Authors: Francesco Discanno
Version undefined posted 14 November 2024
Posted
Nov 14, 2024
10.33774/coe-2024-28fq3
 
Subject: Chemistry
,
Working Paper
, Title:

Graphitic C6N6-supported Dual Cu/Zn Single-Atom Catalyst Mimicking Allosteric Regulation for Intelligent Switching Biosensing

, Authors: Qing Hong, Caixia Zhu, Kaiyuan Wang, Hong Yang, Wang Li, Kaiqing Wu, Yanfei Shen, Songqin Liu, Xuejiao J. Gao, Yuanjian Zhang
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-8h98c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ru-nitrosyl complex salts as efficient catalysts for the reversible CO2 hydrogenation/FA dehydrogenation in ionic liquids

, Authors: José Tiago Menezes Correia, Valeria Nori, Mike Steffen Bernhard Jørgensen, Alexander Tobias Nikol, Martin Nielsen
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-hfw1x
 
Subject: Chemistry
,
Working Paper
, Title:

Indirect Detection of the Protons in and Around Biradicals and their Mechanistic Role in MAS-DNP

, Authors: Satyaki Chatterjee, Faith J. Scott, Snorri Th. Sigurdsson, Amrit Venkatesh, Frederic Mentink-Vigier
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-8qtxk
 
Subject: Chemistry
,
Working Paper
, Title:

Azide- and Transition-Metal-Free Access to Sulfonyl Amidines via C(sp2)-N Coupling of Trifluoroborate-Iminiums with N-Fluorobenzenesulfonimide

, Authors: Damijan Knez, Andrej Sterman, Izidor Sosic, Franc Perdih, Gonzalo Darío Nuñez, Tilen Knaflic, Denis Arcon, Maria Besora, Jorge Juan Carbó, Elena Fernández, Zdenko Casar
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-s7z77
 
Subject: Chemistry
,
Working Paper
, Title:

Identification and Characterisation of Pyrimidine Nucleoside 2'-Hydroxylase

, Authors: Ferdinand Genz, Florian Friedrich, Christoph Lönarz, Oliver Einsle, Manfred Jung, Michael Müller, Nico D. Fessner
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-7cc6d
 
Subject: Chemistry
,
Working Paper
, Title:

Anomeric Selectivity of Glycosylations Through a Machine Learning Lens

, Authors: Natasha Videcrantz Faurschou, Victor Friis, Priyanka Raghavan, Christian Marcus Pedersen, Connor W. Coley
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-jw9dx
 
Subject: Chemistry
,
Working Paper
, Title:

Two-Dimensional Size Exclusion-Reversed Phase Liquid Chromatography for Quantitative Analysis of L1 Proteins in Complex Vaccine Matrices

, Authors: Arthur J. Arcinas, Eli J. Larson, Eric P. Buchhalter, Zachary D. Dunn, Heather Wang, Andrew N. Singh, Rodell C. Barrientos, Ophelia Ukaegbu, Malini Mukherjee, Emmanuel Appiah-Amponsah, Erik L. Regalado
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-z9ls1
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Molecular Structure Elucidation: MultiModalTransformer for both simulated and experimental spectra

, Authors: Martin Priessner, Richard Lewis, Jon Paul Janet, Isak Lemurell, Magnus Johansson, Jonathan Goodman, Anna Tomberg
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-zmmnw
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Nanoscopic Strain Evolution in Single Crystal Cathodes

, Authors: Jing Wang, Tongchao Liu, Weiyuan Huang, Lei Yu, Tianyi Li, Xiaojing Huang, Xianghui Xiao, Lu Ma, Tao Zhou, Martin V. Holt, Haozhe Zhang, Rachid Amine, Wenqian Xu, Luxi Li, Jianguo Wen, Ying Shirley Meng, Khalil Amine
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-06ktk
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled Gel Toughening with Tetrafunctional Cyclobutane Mechanophores

, Authors: Abraham Herzog-Arbeitman, Ilia Kevlishvili, Devosmita Sen, Julianna Lian, Joshika Chakraverty, Shu Wang, Bradley Olsen, Heather Kulik, Stephen Craig, Jeremiah Johnson
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-j366f
 
Subject: Chemistry
,
Working Paper
, Title:

Role of silicon as structural stabilizer and redox-active element in multicomponent (Sn, Sb, Fe, Si) alloy electrodes for Na-ion batteries

, Authors: Yuliia Kravets, Yanan Sun, Hui Wang, Philipp Adelhelm
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-3qd97
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrasoft, Elastic, and Ionically Conductive Polyethylene Glycol/Ionic Liquid Bottlebrush Ionogels

, Authors: Pengfei Xu, Siddhartha Challa, Xia Wu, Shaojia Wang, Peng Pan, Xinyu Liu
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-rrgfn
 
Subject: Chemistry
,
Working Paper
, Title:

Earth-abundant manganese nitride catalysts for mild-condition ammonia synthesis

, Authors: Weiye Qu, Pranav Roy, Canhui Wang, Fan Bu, Xinsui Zhang, Zimin He, Michael Tsapatsis, Brandon C. Bukowski, Chao Wang
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-nwlrm
 
Subject: Chemistry
,
Working Paper
, Title:

Preparation of closo-decaborate by pyrolysis of tetraethylammonium borohydride: revision and optimization for large-scale production

, Authors: Artem Mishchenko, Yulian Lishchenko, Andriy Kozytskiy, Kateryna Konysheva, Yulia Satska, Serhiy Ryabukhin, Dmytro Volochnyuk, Sergey Kolotilov, Yuliya Rassukana
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-hrc1c
 
Subject: Chemistry
,
Working Paper
, Title:

Substituted Cyclopropanols via Sequential Cyclopropanation and Oxidative Hydrolysis of Vinylboronates

, Authors: Serhii Shuvakin, Oleksii Serhieiev, Maksym Dashko, Viacheslav Pendiukh, Sergey Ivonin, Svetlana Shyshkina, Alexander Rozhenko, Olexandr Pashenko, Serhiy Ryabukhin, Dmytro Volochnyuk
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-bx90w
 
Subject: Chemistry
,
Working Paper
, Title:

Visualizing biomolecules within living microglia in complex environments using a clickable small fluorogenic compound

, Authors: Yeongran Hwang, Wonju Kim, Xiao Liu, Minkyo Jung, Srikanta Sahu, Ji-Young Mun, Young-Tae Chang, Beomsue Kim
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-kq3lz
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Role of Local Octahedral Distortions in Hybrid Halide Perovskites Through Physical-Informed Data-Driven Machine Learning

, Authors: Xian Chen, Zhe-Ning Chen, Tianmin Wu, Jun Chen
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-klnhr
 
Subject: Chemistry
,
Working Paper
, Title:

Instruction set and language for chemical nomenclature

, Authors: Ezequiel López-Rubio
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-5b4dn
 
Subject: Chemistry
,
Working Paper
, Title:

Robust Protein-Ligand Interaction Modeling Integrating Physical Laws and Geometric Knowledge for Absolute Binding Free Energy Calculation

, Authors: Qun Su, Jike Wang, Qiaolin Gou, Renling Hu, Hui Zhang, Linlong Jiang, Tianyue Wang, Yifei Liu, Chao Shen, Yu Kang, Chang-Yu Hsieh, Tingjun Hou
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-9k6z7
 
Subject: Chemistry
,
Working Paper
, Title:

Observational study of student engagement and its relationship to design elements of remote discussion sections

, Authors: Ashley Shin, Dayanni Bhagwandin, Rachel Prado, Konkana Ghoshal, Samantha Mensah, Shanna Shaked, Jennifer Casey
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-tvjm9
 
Subject: Chemistry
,
Working Paper
, Title:

A consistent set of thermophysical properties of methane curated with machine learning

, Authors: Matheus Maximo-Canadas, Rubens Caio Souza, Julio Cesar Duarte, Jakler Nichele, Leonardo Santos de Brito Alves, Luis Octavio Vieira Pereira, Ligia Gaigher Franco, Itamar Borges Jr
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-gthhs
 
Subject: Chemistry
,
Working Paper
, Title:

Self-assembly of Tyrosine-containing Peptides into Injectable Hydrogels with Distinct Nanostructures is Key in Determining Inflammatory Response of Macrophages

, Authors: Jacek K. Wychowaniec, Ezgi Irem Bektas, Marcia Mürner, Jiranuwat Sapudom, Martin Šrejber, Marielle Airoldi, Roland Schmidt, Andrea J. Vernengo, Charlotte J.C. Edwards-Gayle, Paul Sean Tipay, Michal Otyepka, Jeremy Teo, David Eglin, Matteo D'Este
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-bn5sm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Finite Size and Surface Relaxation Effects on the Surface States of Bi2Se3 Family Topological Insulators

, Authors: Guorong Weng, Anastassia N. Alexandrova
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-g9pt8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Stepwise kinetics of the Early-Stage Nucleation in Chiral Perovskites via Ab Initio Molecular Dynamics and Free- Energy Calculations

, Authors: Adriana Pietropaolo, Mariagrazia Fortino, Gioacchino Schifino, Matteo Salvalaglio
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-2nd8t
 
Subject: Chemistry
,
Working Paper
, Title:

Biophysical System for the Detection and Quantification of Changes in Oligomeric States of STING at Attomolar Concentrations of Clonixeril

, Authors: William Lawless, Mark Eschenfelder, Robert Sparks, Sarah Lawless, Stephanie Krzypkowski, Kenyon Daniel, Wayne Guida
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-hjvh3-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Pristine and Cu-decorated ψ-graphene-based materials for CO2 activation: A DFT(D)+ U Study

, Authors: Kamal Kumar, Nora de Leeuw, Jost Adam, Abhishek Kumar Mishra
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-ztx08-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electric Vehicle Pattern-based Battery Cycling Dataset and Its Application in Predicting Rapid Degradation

, Authors: Jaewook Lee, Seonyoung Jegal, Mikyung Chung, Seunghyun Kim, Min Jun Kim, Dong-Wook Koh, Jay H. Lee
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-db29k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Site-selective Aryne Formation from Aryl Sulfonium Salts En-abled by Intramolecular Functional Group Translocation.

, Authors: Lu Deng, Bo Xiao, Meng Zhou, hairong cao, Tian-Yu Sun, zhe dong
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-b2wss
 
Subject: Chemistry
,
Working Paper
, Title:

Fluoroalkenes from the Defluoroalkylation of Trifluoromethane

, Authors: Hodan Warsame, Sarah Patrick, James Bull, Philip W. Miller, Mark Crimmin
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-v6xtr
 
Subject: Chemistry
,
Working Paper
, Title:

Phosphoryl-Deoxygenated Access to Cationic Phosphacycles Enabled by Intramolecular SEAr process of Pentavalent Phosphorus Cations

, Authors: Huang Haiyang, Longgen Sun, Zhichao Mei, Jiang Bai, Chao Chen, Mengyao You, Yanli Wu, Haixin Ding, Qiang Xiao
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-dlx0q
 
Subject: Chemistry
,
Working Paper
, Title:

Digging through the (statistical) dirt: A reproducible method for single-molecule flicker noise analysis

, Authors: James Morris, Jarred Potter, Demetris Bates, Chuanli Wu, Craig Robertson, Simon Higgins, Richard Nichols, Paul Low, Andrea Vezzoli
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-8p4fv
 
Subject: Chemistry
,
Working Paper
, Title:

Brønsted-Acid Catalyzed Diastereo- and Enantioselective Synthesis of Spiroisindolinones from Enamides

, Authors: Miro Halaczkiewicz, Arianit Maraj, Mareike Riedel, Leon Donner, Harald Kelm, Georg Manolikakes
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-8t9dw
 
Subject: Chemistry
,
Working Paper
, Title:

Spatio-chemical deconvolution of the LiNi0.6Co0.2Mn0.2O2/Li6PS5Cl interphase layer in all-solid-state batteries using combined X-ray spectroscopic methods

, Authors: Barthélémy Lelotte, Carlos A. F. Vaz, Linfeng Xu, Camelia Borca, Thomas Huthwelker, Pelé Vincent, Christian Jordy, Lorenz Gubler, Mario El Kazzi
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-016md
 
Subject: Chemistry
,
Working Paper
, Title:

Surface States-Induced Light Intensity-Dependent Bipolar Photoelectrodes for Selective Sensing

, Authors: Wang Li, Hong Yang, Qiushi Ruan, Yanfei Shen, Songqin Liu, Haibin Zhu, Yuanjian Zhang
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-h0b3g
 
Subject: Chemistry
,
Working Paper
, Title:

Looking at High-Pressure Electrides Through the Lens of Quantum Crystallography: The Case of Simple Cubic Calcium

, Authors: Stefano Racioppi, Eva Zurek
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-xwcv5
 
Subject: Chemistry
,
Working Paper
, Title:

A Computational Workflow for the Simulation of Solid State Battery Electrodes from Manufacturing to Electrochemical Performance

, Authors: Siwar Ben Hadj Ali, Mohammed Alabdali, Virginie Viallet, Vincent Seznec, Alejandro A. Franco
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-4xv71
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting resistance to small molecule kinase inhibitors

, Authors: Anu Nagarajan, Katherine Amberg-Johnson, Evan Paull, Kunling Huang, Phani Ghanakota, Asela Chandrasinghe, Jackson Chief Elk, Jared M. Sampson, Lingle Wang, Robert Abel, Steven K. Albanese
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-q2v3l
 
Subject: Chemistry
,
Working Paper
, Title:

Selective capture, isolation, and characterization of mucin foraging neu-raminidase-active bacteria from microbiomes using a non-inhibitory activ-ity-based probe

, Authors: Kristina Shipman, Andrea Steiger, Emmanuel Ugwuoji, Lucas Webber, Ashish Anand, Aaron Wright
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-n5gp2
 
Subject: Chemistry
,
Working Paper
, Title:

Practical, Scalable Merging of Au(I)-Catalysis and Biocatalysis for the Synthesis of Chiral Amino Building-blocks from Alkynes

, Authors: Meriem Daghmoum, Nazarii Sabat, Meige Lecoq, Thelma Viraize, Xavier GUINCHARD
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-l544p
 
Subject: Chemistry
,
Working Paper
, Title:

Drug Binding Modulates Chiral Water Structures in the DNA First Hydration Shell

, Authors: Ty Santiago, Daniel Konstantinovsky, Ethan A. Perets, Matthew Tremblay, Sharon Hammes-Schiffer, Elsa C. Y. Yan
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-czx5t
 
Subject: Chemistry
,
Working Paper
, Title:

Collective asymmetric synthesis of the Strychnos alkaloids via thiophene S,S-dioxide cycloaddition cascades

, Authors: Kun Ho (Kenny) Park, Jisook Park, Nils Frank, Hanwen Zhang, Fernanda Duarte, Edward Anderson
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-tk00d
 
Subject: Chemistry
,
Working Paper
, Title:

From Micro-Environments to Macroscopic Effects: How the Alkaline Hydrogen Evolution Reaction Drives Cu Cathodic Corrosion

, Authors: Hori Pada Sarker, Anshuman Goswami, Michael Tang, Frank Abild-Pedersen
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-d6hl7
 
Subject: Chemistry
,
Working Paper
, Title:

High-resolution photoelectron spectroscopy of NO3− vibrationally excited along its 𝜈3 mode

, Authors: Jascha A. Lau, Martin DeWitt, Peter R. Franke, John F. Stanton, Daniel M. Neumark
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-lrnvj
 
Subject: Chemistry
,
Working Paper
, Title:

H2O Trimer: Rigorous 12D Quantum Calculations of Intermolecular Vibrational States, Tunneling Splittings, and Low-Frequency Spectrum

, Authors: Irén Simkó, Peter M. Felker, Zlatko Bačić
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-tn6qm
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of safety-related incidents reported at a major North American petrochemical processing facility between 2016 and 2020

, Authors: A. Dana Ménard, John Trant
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-59grq
 
Subject: Chemistry
,
Working Paper
, Title:

Polariton Spectra under the Collective Coupling Regime. II. 2D Non-linear Spectra

, Authors: M. Elious Mondal, A. Nickolas Vamivakas, Steven Cundiff, Todd Krauss, Pengfei Huo
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-5p9fn
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of (–)-Cordycicadin D and 3,4-trans-Cordycicadins A and B: Entry to the 3,4-trans-Fused Cordycicadin Framework

, Authors: Liam Hunt, Phillip Grant, Grace Shimokura, Daniel Furkert, Margaret Brimble
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-swzp7
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning Hydrogen Bond Networks at Gold Electrodes: A Study of Potential-Dependent DMSO-Water Interfaces

, Authors: Ziareena Al-Mualem, Alfredo Cardenas, Sulagna Hazarika, Hang Ren, Carlos Baiz
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-qwbgr
 
Subject: Chemistry
,
Working Paper
, Title:

Reference Electrode-Free Electrochemical Detection Using a Bare Interdigitated Array Electrode and Initial Counterbalancing O2 Reduction

, Authors: Jihyeon Kim, Seonhwa Park, Haesik Yang
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-nb8wl
 
Subject: Chemistry
,
Working Paper
, Title:

A facile route to plastic inorganic electrolytes for all-solid state batteries based on molecular design

, Authors: Insang You, Baltej Singh, Mengyang Cui, Gillian Goward, Lanting Qian, Zachary Arthur, Graham King, Linda Nazar
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-q6h89
 
Subject: Language and Linguistics
,
Poster
, Title:

Factors influencing vowel categorisation flexibility

, Authors: Stephanie Cooper, Brechtje Post
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.33774/coe-2024-73zfn
 
Subject: Computer Science
,
Poster
, Title:

Radicalization of Immigration Stances on Twitter: An Analysis of Disinformation Concepts and User Typologies

, Authors: Aritz Gorostiza, Encarni Hidalgo, Juan Luis Castro, Antonio Castillo
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.33774/coe-2024-khfhd
 
Subject: Chemistry
,
Review
, Title:

Toward AI/ML-assisted Discovery of Transition Metal Complexes

, Authors: Hongni Jin, Kenneth M. Merz, Jr.
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-1k3l5
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive Representation of Molecules and Materials in Bayesian Optimization

, Authors: Mahyar Rajabi Kochi, Negareh Mahboubi, Aseem Partap Singh Gill, Seyed Mohamad Moosavi
Version undefined posted 15 November 2024
Posted
Nov 15, 2024
10.26434/chemrxiv-2024-fhn98
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible ppt-Level Detection of Perfluorooctane Sulfonic Acid in Tap Water using Field-Effect Transistor Sensors

, Authors: Yuqin Wang, Hyun-June Jang, Max Topel, Siva Dasetty, Yining Liu, Mohamed Ateia, Aaron Tam, Vepa Rozyyev, Ellie Ouyang, Wen Zhuang, Haihui Pu, Sang Soo Lee, Jeffrey Elam, Andrew Ferguson, Seth Darling, Junhong Chen
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-6q6q5
 
Subject: Chemistry
,
Working Paper
, Title:

A Chiral Metal-Organic Framework Fluorescent Sensor incorporating H8-BINOL

, Authors: Pattara Siripanich, Jierui Zhang, Martina Lessio, Carol Hua
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-1wx57
 
Subject: Chemistry
,
Working Paper
, Title:

Ionic gradients in flow to control the transport of emissive ions

, Authors: Jonathon Beves, Lucy L. Fillbrook, Isis A. Middleton, Hamid Rashidnejad, Aditya Sapre, Ayusman Sen
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-tvmn2
 
Subject: Chemistry
,
Working Paper
, Title:

Effective Cross-link Density: A Robust Metric for Structure-Property Relationship in Complex Polymer Networks

, Authors: Amirhossein Gooranorimi, Seyed Mohammad Mousavifard, Mohsen Mohseni, Hossein Yahyaei, Hesam Makki
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-zzjfs
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the intrinsic oxygen evolution reaction activity of perovskite oxides across conductivity ranges using thin film model systems

, Authors: Lisa Heymann, Iris C. G. van den Bosch, Daan Wielens, Ole Kurbjeweit, Emma van der Minne, Ellen M. Kiens, Anton Kaus, Daniel Schön, Stephan Menzel, Bernard Boukamp, Felix Gunkel, Christoph Baeumer
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-6mgpj
 
Subject: Chemistry
,
Working Paper
, Title:

Three-component synthesis of beta-ketosulfonamides via visible-light mediated generation of sulfamoyl radicals

, Authors: Kamil Hofman, Marius Friedrich, Georg Manolikakes
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-d95l2
 
Subject: Chemistry
,
Working Paper
, Title:

Multigram Scale Synthesis of Mechanically-Interlocked Derivatives of SWNT Using Green Mechanochemical Methods

, Authors: Alicia Naranjo, David Jiménez, Marisol Rivas-Caramés, Julia Villalva, Luisa Ruiz-González, Henrik Pedersen, Alejandro López-Moreno, Emilio Perez
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-6q4xq
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of DCAF16 binders for targeted protein degradation

, Authors: Miguel Campos, Isabella Riha, Chenlu Zhang, Chen Mozes, Karl Scheidt, Xiaoyu Zhang
Version undefined posted 17 November 2024
Posted
Nov 17, 2024
10.26434/chemrxiv-2024-ddw3h
 
Subject: Chemistry
,
Working Paper
, Title:

Indoloindolizines: A New Class of Polycyclic Aromatic Materials from Design to Organic Field-Effect Transistor Applications

, Authors: Abhishek Pareek, Muhammad Yasir Mehboob, Maciej Cieplak, Maciej Majdecki, Hubert Szabat, Krzysztof Noworyta, Piotr Połczyński, Maja Morawiak, Piyush Sharma, Cina Foroutan-Nejad, Przemysław Gaweł
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-q9j9k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An Automated On-The-Fly Optimization of Resource Allocation for High-Throughput Protein-Ligand Binding Free Energy Simulations

, Authors: S. Benjamin Koby, Evgeny Gutkin, Shree Patel, Maria Kurnikova
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2023-rtpsz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Metabolic changes in living human lymphoma cells intervening NAD+ metabolism as revealed by NAD(P)H-fluorescence lifetime imaging and para-hydrogen induced polarization NMR.

, Authors: Lea Marie Jeude, Ruth Leben, Yonghong Ding, Gabriele Stevanato, Stefan Glöggler, Raluca Niesner, Dieter Kube
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-l9f24-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Innovative Optimization of LDI-MS Porous Silicon Substrates Using Thermometer ions

, Authors: Clara Whyte Ferreira, Bastien Cabrera-Tejera, Bernard Leyh, Romain Tuyaerts, Gilles Scheen, Yannick Coffinier, Edwin De Pauw, Gauthier Eppe
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-pg6bx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Scaling Relations for Ammonia Oxidation

, Authors: Rachelle Choueiri, Stephen Tatarchuk, Olivia Parker, William Cooper, Leanne Chen
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-n35nl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalized Cyclic Olefin Copolymers: Chemoselective Polymerization of Cyclopropane-Containing Norbornadiene Dimer using Titanium Catalyst and Post-Polymerization Modification

, Authors: Yusuke Iwata, Takeshi Shiono, Shin-ichi Matsuoka
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-6vqqc-v2
 
Subject: Chemistry
,
Review
, Title:

Similarity-based profiling of hydrazone-containing scaffolds active against leishmania amastigotes

, Authors: Jheynne Laina Alves de Lima, Samara Beatriz de Abreu Pinto, Rita Yanka Pereira da Silva, Lamark Carlos I, Alessandro Kappel Jordão, Euzébio Guimarães Barbosa
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-zxm1t
 
Subject: Chemistry
,
Working Paper
, Title:

De novo glycan annotation of mass spectrometry data

, Authors: Margot Bligh, Sebastian Silva-Solar, Linda Biehler, Christopher C. J. Fitzgerald, Conor J. Crawford, Mikkel Schultz-Johansen, Sofie Niggemeier, Peter H. Seeberger, Manuel Liebeke, Jan-Hendrik Hehemann
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-c9crj
 
Subject: Chemistry
,
Working Paper
, Title:

Interactions of sucrose and trehalose with lysozyme in different media: a perspective from atomistic and coarse-grained molecular dynamics simulations

, Authors: Inna Ermilova, Jan Swenson
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-1t02z
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Synthesis, and Unprecedented Interactions of Covalent Dipeptide-Based Inhibitors of SARS-CoV-2 Main Protease and its Variants Displaying Potent Antiviral Activity

, Authors: Thanigaimalai Pillaiyar, Philipp Flury, Nadine Krüger, Katharina Sylvester, Julian Breidenbach, Ghazl Al Hamwi, Jingxin Qiao, Yan Chen, Cheila Rocha, Mateus Serafim, Elany Barbosa da Silva, Stefan Pohlmann, Antti Poso, Thales Kronenberger, Katharina Rox, Anthony O’Donoghue, Shengyong Yang, Sträter Norbert, Michael Gütschow, Stefan A. Laufer, Christa E. Müller
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-7mf2j
 
Subject: Chemistry
,
Working Paper
, Title:

A Solvatochromic Near Infrared Fluorophore Sensitive to the Full Amyloid Beta Aggregation Pathway

, Authors: Zeming Wang, Line Kristensen, Yen Ho, Luis Valencia, Kyleigh Range, Behzad Rad, Corie Ralston, Bruce Cohen
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-vd53f
 
Subject: Chemistry
,
Working Paper
, Title:

Ab initio molecular dynamics studies of Ethylene glycol partial oxidation on Co3O4 (001) surfaces

, Authors: Falonne B. S. Nkou, Stephane Kenmoe
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-4zw7v
 
Subject: Chemistry
,
Review
, Title:

Do-Nothing Prebiotic Chemistry: Chemical Kinetics as a Window into Prebiotic Plausibility

, Authors: Skyla White, Paul Rimmer
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-qnl9v
 
Subject: Chemistry
,
Working Paper
, Title:

Porous halogen-bonded frameworks assembled through hetero-polytopic ion pair templation

, Authors: Jordan Smith, Callum Hunter, Huan Doan, Valeska Ting, Nicholas White
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-0glrn
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and Synthesizability of Iron-Sulfur Metal-Organic Frameworks

, Authors: Jianming Mao, Ningxin Jiang, Andrea Darù, Alexander S Filatov, Jessica E Burch, Jan Hofmann, Simon M Vornholt, Karena W Chapman, John S Anderson, Andrew L Ferguson
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-swb7z
 
Subject: Chemistry
,
Working Paper
, Title:

Realizing Ultra-Fine Color Tuning of Organic Electronics Materials by Electronic State Informatics

, Authors: Daisuke Goto, Yusuke Kanebako, Kengo Takashima, Nahoko Kuroki, Hirotoshi Mori
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-x1nfd
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Multiple Electronic Functions of Organic Electronics Materials by Electronic State Informatics

, Authors: Daisuke Goto, Hirotoshi Mori
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-pzxww
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the mechanism for the low-temperature reduction of Fe2O3 to Fe in alkaline electrolytes

, Authors: Raj Shekhar, Semanti Mukhopadhyay, Francelia Sanchez, Anastasiia Konovalova, Shannon Boettcher, Arun Devaraj, Paul Kempler
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-dd895
 
Subject: Chemistry
,
Working Paper
, Title:

Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations

, Authors: Saikat Das, Jin Sakai, Riki Nakatani, Ayumu Kondo, Rina Tomioka, Tokuhisa Kawawaki, Sourav Biswas, Yuichi Negishi
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-qn5pz
 
Subject: Chemistry
,
Working Paper
, Title:

In-Situ Generated Sulfinates from -Thioamide Sulfone as Nucleophilic Coupling Partners in Copper-Catalyzed Ring-Opening/Sulfonylation of Cyclopropenes: Access to Alkyl Aryl Sulfones

, Authors: Arshad Ali, Cherry Chung, Jingru Wang, Lang Liu, Chongyuan Wang, Yidong Liu, Qin Yin, Shaoquan Lin
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-1hl8v
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Crystal Structure of the Purine Base Xanthine with 3D Electron Diffraction

, Authors: Helen W. Leung, Royston C. B. Copley, Giulio I. Lampronti, Sarah J. Day, Lucy K. Saunders, Duncan N. Johnstone, Paul A. Midgley
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.26434/chemrxiv-2024-tlgvb
 
Subject: Computer Science
,
Poster
, Title:

Automation Matters: Automated Evaluation of Second Language Interactive Conversations via Language Modules

, Authors: Rena Gao, Zheng Yuan, Carsten Roever, Jey Han Lau
Version undefined posted 18 November 2024
Posted
Nov 18, 2024
10.33774/coe-2024-lm4kn
 
Subject: Chemistry
,
Working Paper
, Title:

Pseudo-Lithium Vacancies in Hydrogen Rich Li3OCl

, Authors: Benjamin Williamson, Kristoffer Eggestad, Sverre Selbach
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-n3zvr
 
Subject: Chemistry
,
Working Paper
, Title:

In Situ Synthesis of Degradable Polymer Prodrug Nanoparticles

, Authors: Chen Zhu, Hannah Beauseroy, Julie Mougin, Maëlle Lages, Julien Nicolas
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-g1x43
 
Subject: Chemistry
,
Working Paper
, Title:

Cation-π Interactions Involving Graphynes: An Intermolecular Force Field Formulation Featuring Ion-Induced Dipole Effects

, Authors: Akhil Kottayil, Medha Sangeetha Prakash, Rotti Srinivasamurthy Swathi
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-6pgl4
 
Subject: Chemistry
,
Working Paper
, Title:

High-Throughput Solid Phase Extraction for Targeted and Non-Targeted Exposomics

, Authors: yunyun Gu, Max Lennart Feuerstein, Benedikt Warth
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-2gsrn
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture

, Authors: Rodrigo Neumann Barros Ferreira, Yogesh V. Joshi, Felipe Lopes Oliveira, Anantha Sundaram, Ashish B. Mhadeshwar, Jayashree Kalyanaraman, Binquan Luan, Mathias Steiner
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-3bh17
 
Subject: Chemistry
,
Working Paper
, Title:

Large-scale characterization of chemical bonding and topology in the Materials Project database

, Authors: Lionel Zoubritzky, François-Xavier Coudert
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-gsk41
 
Subject: Chemistry
,
Working Paper
, Title:

Cheminformatic Analysis of Core-Atom Transformations in Pharmaceutically Relevant Heteroaromatics

, Authors: G. Logan Bartholomew, Lucas J. Karas, Reilly M. Eason, Charles S. Yeung, Matthew S. Sigman, Richmond Sarpong
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-6j5md
 
Subject: Chemistry
,
Working Paper
, Title:

Solution and solid-state structures of dibenzylamino calix[4]arene with complexed solvent molecules

, Authors: Matteo Cardoso, Jacques Beauchemin-Ratté, Frank Schaper
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-w7j26
 
Subject: Chemistry
,
Working Paper
, Title:

A point-of-need framework for illicit drug identification with high-resolution mass spectrometry

, Authors: Thomas P Forbes, Elizabeth L Robinson, Edward Sisco, Abigail Koss
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-db406
 
Subject: Chemistry
,
Working Paper
, Title:

Cooperative CO2 activation involving a mononuclear aluminum(II) intermediate

, Authors: Roushan Singh, Kevin Quirion, Joshua Telser, Daniel Ess, Neal Mankad
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-c9np0
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Photothermal Hydrogenation of Carbon Dioxide to Liquid Fuels using Pt/GaN prepared via SOMC

, Authors: Hyotaik Kang, Enzo Brack, Domenico Gioffrè, Alexander Yakimov, Christophe Copéret, Chao-Jun Li
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-9454q
 
Subject: Chemistry
,
Working Paper
, Title:

Phase Transformations in MOFs Induced by Adsorbate Exchange

, Authors: Alexander Neimark, Nicholas Corrente, François-Xavier Coudert
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-s96xk
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Mechanical Durability and Electroanalytical Performance of 3D-Printed Multi-Material Sensors for Rapid On-Site Screening of Nimesulide in Industrial Sewage

, Authors: Mateusz Cieślik, Magdalena Rucka, Adrian Koterwa, Michał Rycewicz, Rodrigo A.A. Muñoz, Robert Bogdanowicz, Jacek Ryl
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-qfhwj
 
Subject: Chemistry
,
Working Paper
, Title:

Comment on ”Exploring potential energy surfaces to reach saddle points above convex regions” [J. Chem. Phys. 160, 232501 (2024)] by M.Gunde et al.

, Authors: Wolfgang Quapp, Josep Maria Bofill
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-9l3f2
 
Subject: Chemistry
,
Working Paper
, Title:

Bayesian Molecular Optimization for Accelerating Reverse Intersystem Crossing

, Authors: Taehyun Won, Naoya Aizawa, Yu Harabuchi, Reo Kurihara, Mitsuharu Suzuki, Satoshi Maeda, Yong-Jin Pu, Ken-ichi Nakayama
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-vjl0k
 
Subject: Chemistry
,
Review
, Title:

Accelerating Enzyme Engineering with Quantum Power: Quest for Quantum Advantage in Biocatalysis

, Authors: Jiri Damborsky, Petr Kouba, Josef Sivic, David Bednar, Stanislav Mazurenko
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-pwkq5
 
Subject: Chemistry
,
Working Paper
, Title:

Photo reforming of Spinacia oleracea for enhanced solar hydrogen fuel

, Authors: Sayantanu Mandal, Ayantan Biswas, Swagata Das, Kajari Kargupta
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-44kkd
 
Subject: Chemistry
,
Working Paper
, Title:

Stacked all-graphite microfluidic microbial fuel cells

, Authors: LInlin Liu, Marc-Antoine Bansept, Changhong Cao, Denis Boudreau, Jesse Greener
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-xkkbf
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Au-C anchors in molecular junctions under oriented external electric fields

, Authors: Rajarshi Samajdar, Hao Yang, Seungjoo Yi, Chun-I Wang, Michael A. Pence, Moeen Meigooni, Seth Putnam, Xiaolin Liu, Jitong Ren, Jeffrey S. Moore, Emad Tajkhorshid, Joaquín Rodríguez-López, Nicholas E. Jackson, Charles M. Schroeder
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-g4q8t
 
Subject: Chemistry
,
Working Paper
, Title:

The role of structural, pharmacokinetic and energy properties in the high-throughput prediction of redox potentials for organic molecules with experimental calibration

, Authors: Apurva Kalia, Vladimir Porokhin, Benjamin Blackburn, Robyn Alba, Caroline Ajo-Franklin, Emily Mevers, Soha Hassoun
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-w7w7l
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible single crystal photochemistry and spin state switching in a metal-cyanide complex

, Authors: Michał Magott, Mirosław Arczyński, Leszek Malec, Michał Rams, Mathieu Rouzières, Andrei Rogalev, Fabrice Wilhelm, Itziar Oyarzabal Epelde, Thomas Lohmiller, Alexander Schnegg, Coen de Graaf, Corine Mathonière, Rodolphe Clérac, Dawid Pinkowicz
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-v4j8t
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Sorption and Interfacial Assembly of Polysaccharide on Hydrophobic v. Hydrophilic Surfaces

, Authors: Behrooz Azimzadeh, Carmen Enid Martínez
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-cfqrr
 
Subject: Chemistry
,
Working Paper
, Title:

Novel tetrapeptides, tengupeptins A and B, produced by Lecanicillium aphanocladii FKI-9593 fungal strain

, Authors: Akihiro Sugawara, Hiroki Kojima, Yoshihiro Watanabe, Mayuka Higo, Taiga Kasuya, Kenichi Nonaka, Masato Iwatsuki
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-d35f7
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclisation Modes in Anilides of N-Protected 3-Oxo-4-phenylaminobutyric Acid Under Knorr Conditions

, Authors: Plamen Angelov, Yordanka Mollova-Sapundzhieva
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-mvv2b
 
Subject: Chemistry
,
Working Paper
, Title:

Rules Describing CO2 Activation on Single-Atom Alloys from DFT-meta-GGA Calculations and Artificial Intelligence

, Authors: Herzain I. Rivera-Arrieta, Lucas Foppa
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-1dr10
 
Subject: Chemistry
,
Working Paper
, Title:

Active delta-learning for fast construction of interatomic potentials and stable molecular dynamics simulations

, Authors: Yaohuang Huang, Yi-Fan Hou, Pavlo O. Dral
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-fb02r
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Classification by magnetic susceptibility and petrography of WAD AWZIREFT 001.

, Authors: Jose Garcia, Sonia Pérez
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.33774/coe-2024-1wbc2
 
Subject: Chemistry
,
Working Paper
, Title:

A Chemical Language Model for Multi-Class Molecular Taste Prediction

, Authors: Yoel Zimmermann, Leif Sieben, Henrik Seng, Philipp Pestlin, Franz Görlich
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-d6n15
 
Subject: Mathematics
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Working Paper
, Title:

Aliasing and Entanglement in the Riemann Zeta Function: A Signal Processing Framework for Zero Formation

, Authors: Sebastian Dettmers
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.33774/coe-2024-htt7d-v2
 
Subject: Engineering
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Working Paper
, Title:

Critical Data and Thinking in Ground Effect Vehicle Design

, Authors: Adam Suppes, Galen Suppes
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.33774/coe-2024-76mzx
 
Subject: Chemistry
,
Working Paper
, Title:

Glutathione in the noncanonical biosynthesis of teredinibactins

, Authors: Youjung Sung, Bailey Miller, Eric Schmidt
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-ph6m0
 
Subject: Chemistry
,
Working Paper
, Title:

Complex-valued intermolecular coupling enables directional exciton transport in excitonic circuits

, Authors: adam willard, Maria Castellanos
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-6v2jn
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Ring Strain Energy Predictions with Machine Learning and Application in Strain-Promoted Reactions

, Authors: Zhen Liu, Jessica Vinskus, Yue Fu, Peng Liu, Kevin Noonan, Olexandr Isayev
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-dtq6q
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating the effect of oxygen vacancies on the OER activity of LaNiO3

, Authors: Chuanmu Tian, Danni Wang, Kelvin Hongliang Zhang, Jan Philipp Hofmann
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-40vsz
 
Subject: Chemistry
,
Working Paper
, Title:

Alternating Current Voltammetry: Predicting and Visualizing Harmonics

, Authors: Chase Bruggeman
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-t88r2-v3
 
Subject: Chemistry
,
Working Paper
, Title:

3D2SMILES: Translating Physical Molecular Models into Digital DeepSMILES Notations Using Deep Learning

, Authors: Wenqi Guo, Yiyang Du, Mohamed Shehata
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-zvcb4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of Clonixeril as a Sub-Femtomolar Modulator of the Human STING Receptor

, Authors: Robert Sparks, William Lawless, Anna Kharitonova, Rainer Metcalf, Jamie Nunziata, Grace Binder, Sauradip Chaudhury, Christine Gambino, Michelle Wilde, Linette Harding, Jaret Crews, Mansi Gopu, Emilia Dalamangus, Sarah Lawless, Mark Eschenfelder, Robert Green, Elizabeth Nompleggi, Timothy Tran, Kathy Yang, Donna Trask, Paul Thompson, Niketa Patel, Rekha Patel, Wesley Brooks, Guy Bradley, Mildred Acevedo-Duncan, Alan Mullen, James Leahy, Kenyon Daniel, Wayne Guida
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-bxr73-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Dissociation Dynamics of CO2 on Cu(110) Studied Over a Wide Range of Incident Energies

, Authors: Saurabh Kumar Singh, Pranav Ravindra Shirhatti
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-22gt7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High viscosity and two phases observed over a range of relative humidities in biomass burning organic aerosol from Canadian wildfires

, Authors: Nealan G. A. Gerrebos, Julia Zaks, Florence K. A. Gregson, Max Walton-Raaby, Harrison Meeres, Ieva Zigg, Wesley F. Zandberg, Allan K. Bertram
Version undefined posted 19 November 2024
Posted
Nov 19, 2024
10.26434/chemrxiv-2024-5p8pn-v2
 
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