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2025
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Category: Organic Chemistry
,
Working Paper
, Title:

Simple Access to 2,5-Disubstituted Thiazoles via Cyclisation of N-Substituted α-Amino Acids

, Authors: Hajar Aledwan, Guy Zimmermann, Natalia Fridman, Georgios Vassilikogiannakis, Abed Saady
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-z54vj
 
Category: Theoretical and Computational Chemistry
,
Review
, Title:

Møller-Plesset Adiabatic Connection Theory for Diverse Noncovalent Interactions

, Authors: Etienne Palos, Heng Zhao, Kimberly J Daas, Eduardo Fabiano, Francesco Paesani, Stefan Vuckovic
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-cklf9
 
Category: Energy
,
Working Paper
, Title:

Batch Diagnosis of Batteries within One Second

, Authors: Shangwei Zhou, Wenjia Du, Paul R Shearing, Thomas Miller, Rhodri Jervis
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-0h02k
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Neuropeptides in the Extracellular Space of the Mouse Cortex Measured by Nanodialysis Probe Coupled with LC-MS

, Authors: Keyin Li, Weihua Shi, Yanqi Tan, Yu Ding, Alex Armstrong, Yurii Vlasov, Jonathan Sweedler
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-t3ggg
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units

, Authors: Valay Agarawal, Rishu Khurana, Cong Liu, Matthew R. Hermes, Christopher Knight, Laura Gagliardi
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-8cn9b
 
Category: Materials Chemistry
,
Working Paper
, Title:

Fully-stretched, single-crystalline polymers of linear poly[n]catenanes

, Authors: Kaiyu Wang, Nakul Rampal, Ying Liu, Cailing Chen, Ha Nguyen, Felipe Gándara, Vivek Singh, Zichao Rong, Yuang Shi, Sebastian Neumann, Jackson Thomassian, Raynald Giovine, Punit Kumar, Robert Ritchie, Lingmei Liu, Yu Han, Ting Xu, Omar Yaghi
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-0r189
 
Category: Organic Chemistry
,
Working Paper
, Title:

Chemically Stable Tetrazine-Based Porous Organic Cages with Post-Synthetic Modification via iEDDA Reactions

, Authors: Ju Yang, Saisai Yu, Wendi Zhang, Dingyue Hu, Yutao Guan, Hongqin Li, Ming Liu
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-sgrlz
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Improved modeling of battery electrolytes: betting on model fitting or quantum effects?

, Authors: Defne Sarac, Diego Moreno-Martinez, Marie-Liesse Doublet, Christophe Raynaud
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-zxgqd-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Room-Temperature Phosphorescence Vapochromism Through Conformational Control

, Authors: Andrea Fermi, Sapna Gahlot, Eric Jorand, Simone d'Agostino, Yasi Dai, Fabrizia Negri, Corinne Moustrou, Marc Gingras, Paola Ceroni
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-t8ggf-v2
 
Category: Nanoscience
,
Working Paper
, Title:

Towards Organic Mimics of Metallic Nanoparticles: Tuning and Enhancing Fluorescence in Binary Dye-Based Nanoparticles.

, Authors: Eleonore Kurek, Morgane Rosendale, Jean-Baptiste Verlhac, Sébastien Marais, Jonathan Daniel, Mireille Blanchard-Desce
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2024-42f7k-v2
 
Category: Nanoscience
,
Working Paper
, Title:

Supramolecular polymerization through rotation of light-driven molecular motors

, Authors: Philippe Schiel, Mounir Maaloum, Emilie Moulin, Irina Nyrkova, Alexander Semenov, Damien Dattler, Lou-Ann Accou, Anastasia Christoulaki, Eric Buhler, Rémi Plamont, Jean-Marie Lehn, Nicolas Giuseppone
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2024-qbd2q-v3
 
Category: Materials Chemistry
,
Working Paper
, Title:

Water-based synthesis of supported ultra-small High-Entropy Alloy nanoparticles

, Authors: Tobias Mølgaard Nielsen, Nicolas Schlegel, Adrián Sanz Arjona, Rebekka Klemmt, Rasmus Rohde, Tom Vosch, Espen Drath Bøjesen, Kirsten M. Ø. Jensen
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-74zqc-v2
 
Category: Organic Chemistry
,
Review
, Title:

Synthetic Methodologies for the Chemical Recycling of Fluorocarbons

, Authors: Shannon Farley, Mark Crimmin
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-78xsv-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Water uptake behaviour of semiconducting glasses formed from hybrid organic–inorganic perovskites

, Authors: Jay McCarron, Libbie Hardy, Olivia Dunlop, Isaiah Borne, Bethan Turner, Sam D. Harding, Lauren McHugh
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-3rmtm-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Total Syntheses of Ring Intact Limonoids:1,2-Dihydroazadirone, Azadirone, Azadiradione and Epoxyazadiradione

, Authors: He Sun, Shicheng Jin, Dawei Ma
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-9f9wf-v2
 
Category: Materials Science
,
Working Paper
, Title:

Modular Large Language Model Agents for Multi-Task Computational Materials Science

, Authors: Akshat Chaudhari, Janghoon Ock, Amir Barati Farimani
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-zkn81-v2
 
Category: Polymer Science
,
Working Paper
, Title:

Biobased Synthesis of Alternating Copolysaccharides Utilizing Nanofibrous Cellulose Crystallites as a Template

, Authors: Takumi Haruno, Yoshinori Doi, Tomoki Ito, Kazuho Daicho, Ryosuke Kusumi, Hiroyuki Watanabe, Shuji Fujisawa, Tsuguyuki Saito
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-002vw-v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Ice-binding of cellulose from first-principles

, Authors: Aakash Kumar, Dilip Gersappe
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-rfdhz-v2
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

2H Quadrupolar Coupling Constant: A Spectroscopic Ruler for Transition Metal–Hydride Bond Distances in Molecular and Surface Sites

, Authors: Domenico Gioffrè, Christophe Copéret, Cäcilie Müller, Scott R. Docherty, Alexander Yakimov
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-6mvmv-v2
 
Category: Energy
,
Working Paper
, Title:

Self-Forming Electrolytes Enable Calcium Plating and Stripping

, Authors: Zaher Slim, Patrik Johansson
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-tfdls
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Identification and quantification of THC and the synthetic cannabinoid MDMB-4en-PINACA in edible products seized by UK police in 2024

, Authors: Matthew Gardner, Kathryn Proctor, Martha Old, Gyles Cozier, Jennifer Scott, Oliver Sutcliffe, Stephen Husbands, Tom Freeman, Peter Sunderland, Christopher Pudney
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-3sk0t
 
Category: Polymer Science
,
Working Paper
, Title:

Modeling CO2 Adsorption in Flexible MOFs with Open Metal Sites via Fragment-Based Neural Network Potentials

, Authors: Omer Tayfuroglu, Seda Keskin
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-c85xt
 
Category: Catalysis
,
Working Paper
, Title:

Enabling Reliable Data-Driven Tafel Analysis

, Authors: Koki Muraoka, Ken Sakaushi, Akira Nakayama
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-m0tvc
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Energy Transfer Mechanisms in Large Low-Bandgap Polymers from Time-Resolved Experiments and Nonadiabatic Molecular Dynamics Calculations

, Authors: Gabriel Phun, Dana Kern, Matthew Sfeir, Jason Azoulay, Bryan Wong
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-xn04j
 
Category: Catalysis
,
Working Paper
, Title:

Cobaloxime Catalyzed Carbene Insertion into N–H Bonds: A Streamlined Route to α-Amino Esters with Mechanistic Insights

, Authors: Keyang Wu, Kirklin McWhorter, Ayzia Ford, Liming Tan, Lidia Waidmann, Jesus Vazquez Hernandez, Madeline Garcia, Katherine Davis, Gang Li
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-bz3fj
 
Category: Catalysis
,
Working Paper
, Title:

The Evidence for Single-Atom Ru Catalysts Supported on N-Doped Graphdiyne/γ-Graphyne Quantum Dots is Questionable

, Authors: Valentin Rodionov, Reese Richardson
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-xclfn
 
Category: Catalysis
,
Working Paper
, Title:

Structure-Dependent Microkinetic Modeling of the CO2 Desorption with Surface Diffusion

, Authors: Bjarne Kreitz, Gandhali Kogekar, Raffaele Cheula, Franklin Goldsmith
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-l7135
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

CO2 Fixation and Release Mediated by Carbonate-Based Coordination Polymers

, Authors: Kentaro Kadota, Sae Matsui, Ayoub Traverson, Yuta Hori, Kanchana Sotho, Kei Morisato, Yoshitaka Aoyama, Yasuteru Shigeta, Yusuke Nishiyama, Satoshi Horike
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-lxhrg
 
Category: Biological and Medicinal Chemistry
,
Review
, Title:

Engineering Polymeric Hydrogels, Nanogels, and Microgels for Next-Generation Tissue Regeneration: Materials, Mechanisms, and Translational Perspectives

, Authors: Ishita Mukherjee
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-qkt7j
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Lightweight Crystal Graph Neural Networks for Activation Energy Prediction in Organic Molecular Reactions

, Authors: Naoki Kitamura
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-cdcdb
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Revisiting the Hydration and Dehydration Behavior of Li3InCl6 and Li3InCl6·xH2O: Crystal Structure Determination of the Intermediate Hydrated Phase

, Authors: Martine Jacob, Sebastian Bette, Ivan da Silva, Hasan Yilmaz, Kerstin Wissel
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-b17lz
 
Category: Catalysis
,
Working Paper
, Title:

Aliovalent Doping of SrTiO3 for Photocatalytic Pollutant Remediation

, Authors: Mabel Day, Mahmoud Hamza, Cameron Shearer
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-2qz5z
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Novel Stability-Indicating Assay for Palbociclib: A Breakthrough in Anti-Breast Cancer Therapy

, Authors: Althaf hussain shaik, Ramakrishna reddy kotanka, Kirankumar Nalla
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-6g1w7
 
Category: Energy
,
Working Paper
, Title:

Hierarchical Moiety-Aware Graph Transformer for Li-metal Electrolyte Formulation Design

, Authors: Luca Mondonico, Hance Su, Jacob Florian, Hao Lyu, Zhenan Bao, Yi Cui
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-c0ttj
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Predicting Plasma Concentration–Time Profiles of Complex Drugs with Double Peaks Using Machine Learning: A Case Study with Veralipride

, Authors: Koichi Handa, Yuki Umemori, Michiharu Kageyama, Hiroaki Iwata
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-sqvzk
 
Category: Organic Chemistry
,
Working Paper
, Title:

Harnessing Electrochemistry for Direct Deoxygenative Silylation of Alcohols and Ketones

, Authors: Peng Xiong, Hai-Chao Xu, Yi-Xian Zheng, Yuan-Xin Wu
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-v8zv7
 
Category: Biological and Medicinal Chemistry
,
Review
, Title:

Protein-ligand data at scale to support machine learning

, Authors: Aled Edwards, Dafydd Owen, Target 2035 Working Group SGC Working Group
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-b009c
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Amber-OL15-ECC: an Amber force field for nucleic acids with improved ion binding properties

, Authors: Julie Puyo-Fourtine, Marie Zgarbova, Laetitia Kantin, Petr Jurecka, Elise Duboué-Dijon
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-bh1jx
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Multiscale Vehicle Traffic Air Pollutant Exposure and Equity Analysis in the United States using a Novel Emissions Exposure Surrogate

, Authors: Brittany Antonczak, Tammy Thompson, Mindi DePaola, Gregory Rowangould
Version undefined posted 02 May 2025
Posted
May 02, 2025
10.26434/chemrxiv-2025-lmx3n-v3
 
Category: Organic Chemistry
,
Working Paper
, Title:

Development, Scope, and Catalyst Selection in Boron-Catalyzed It-erative Glycosylation

, Authors: Kishor Harale, Chandana Sunil, Girish Sati, Annabel Ansel, Joshua Martin, Taylor Spiller, John Montgomery
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-0pjgb
 
Category: Materials Science
,
Working Paper
, Title:

Enhancing N-Type Organic Electrochemical Transistor Performance via Blending Alkyl and Oligoglycol Functionalized Polymers

, Authors: Seth Jackson, Garrett Collins, Thy Phan, James Ponder, Connor Bischak
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-lcpr5
 
Category: Organic Chemistry
,
Working Paper
, Title:

Tuneable anion recognition at the lower rim of resorcin[4]arenes: strength, selectivity, and transport

, Authors: Deepshikha Priyadarshini, Ronedy Naorem, Marek P. Szymański, Oksana Danylyuk, Michał J. Chmielewski, Agnieszka Szumna
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-wv26b
 
Category: Energy
,
Working Paper
, Title:

O3 vs P2 sodium layered oxides: Comparative study on electrode-electrolyte reactivity and structural stability for cycling performance

, Authors: Juan Forero-Saboya, Yue Zhou, Stephen Browne, Ivan Moiseev, Chloe Pablos, John Abou-Rjeily, Arame Mboup, Clémence Alphen, Leiting Zhang, Biao Li, Artem Abakumov, Jean-Marie Tarascon, Sathiya Mariyappan
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-bqm36
 
Category: Physical Chemistry
,
Working Paper
, Title:

Data to Physics in Minutes: An Agentic Large Language Model Solves a Competitive Adsorption Puzzle

, Authors: Bingling Dai, Yuhang Song, Yibin Jiang, Cheng Wang
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-vnn2f
 
Category: Organic Chemistry
,
Working Paper
, Title:

Exo-selective Intramolecular (4+3) Cycloadditions to trans-Fused Perhydroazulenes: An Asymmetric Formal Synthesis of (−)-Pseudolaric acid B

, Authors: Zengsheng Yin, Yuxuan He, Guo Wei, Yuchen Zhou, Antonio Rizzo, Yun He, Elizabeth H. Krenske, Pauline Chiu
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-d0vx2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Architecture independent absolute solvation free energy calculations with neural network potentials

, Authors: Anna Katharina Picha, Sara Tkaczyk, Marcus Wieder, Stefan Boresch
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-hpcws
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Simulations of solvent effects on excited state dynamics of p-DAPA, a red single benzene-based fluorophore

, Authors: Anita Houston Adams, Alice R. Walker
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-4hcdg
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

The Artificial Intelligence Guided Search for New CHIPs Comonomers

, Authors: Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas Purcell
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-kp25m
 
Category: Organic Chemistry
,
Working Paper
, Title:

The Synthesis of 1beta-Hydroxytestosterone, a Testosterone Metabolite of Xenobiotic Human Cytochrome P450 Enzymes from a Borylation of Androsta-1,4-diene-3,17-dione

, Authors: Anna Elizondo, Hadi Arman, Francis Yoshimoto
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-4n13d
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

MLMD: Machine Learning Velocities to Propagate Molecular Dynamics Simulations

, Authors: Guy Dayhoff, Sameer Varma
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-ds2pb
 
Category: Catalysis
,
Working Paper
, Title:

Photocatalytic H2O2 Synthesis Over Au9 Clusters and Au101 Nanoparticles: Does A Smaller Co-catalyst Always Perform Better?

, Authors: Xin Yi Lum, Chee Chuan Tan, D. J. Osborn, Abdulrahman S Alotabi, Xuan Yin Lee, Jirawat Assawakhajornsak, Gregory Metha, Gunther Andersson, Rohul Adnan
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-2pc0m
 
Category: Materials Chemistry
,
Working Paper
, Title:

Side-Chain Dipolar Character Controls Threshold Voltage in So-lution-Processed Organic Single-Crystal Transistors

, Authors: Shohei Kumagai, Takeru Koguma, Takuya Seki, Go Watanabe, Ryoya Kimura, Masafumi Yano, Hiroyuki Ishii, Jun Takeya, Toshihiro Okamoto
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-2k47h
 
Category: Materials Chemistry
,
Working Paper
, Title:

Regioisomeric Engineering of Sterically Hindered Bright Near-Infrared Paraptosis Agents for Chemo-Photodynamic Therapy

, Authors: Xiang Wang, Xiaowan Han, Xiaoyuan Tian, Hosoowi Lee, Caihong Xiang, Chaorui Wang, Liang Luo, Hai-Yu Hu, Guangle Niu, Juyoung Yoon
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-j2mgt
 
Category: Organic Chemistry
,
Working Paper
, Title:

Hybrid antibiotics targeting the bacterial ribosome

, Authors: Seul Ki Yeon, Jenna Pellegrino, Tushar Raskar, Minh L. N. Tran, Mohamad Dandan, François Guérin, Manuel Einsiedler, Vincent Cattoir, James S. Fraser, Ian B. Seiple
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-bxcn7
 
Category: Materials Chemistry
,
Working Paper
, Title:

Room-Temperature Phosphorescence of Pyrene Using Perovskite as a Triplet-Sensitizing Matrix and Oxygen Barrier

, Authors: Hinako Ebe, Shusei Hattori, Junpei Igarashi, Mizuki Ohke, Aoi Hamatsu, Mai Anbe, Matthew Atteberry, Yitong Dong, Madalina Furis, Mamoru Kitaura, Jun Matsui
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-z2hcb
 
Category: Materials Chemistry
,
Working Paper
, Title:

Boehmite nanofiber–polymethylsilsesquioxane composite macroporous monoliths for high diffuse reflectance and improved machinability

, Authors: Gen Hayase
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-1k9k4
 
Category: Materials Chemistry
,
Working Paper
, Title:

Elucidating Quintet State Dynamics in Singlet Fission Oligomers and Polymers with Tetracene Pendants

, Authors: Jasleen K Bindra, Daniel Malinowski, Bernardo Salcido-Santa Cruz, Guiying He, Matthew Sfeir, Luis Campos, Jens Niklas,, Oleg Polektov
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-dnr6r
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Novel bivalent albumin binder for enhanced tumor retention of fibroblast activation protein-targeted radioligand

, Authors: Kazuma Nakashima, Keisei Yamaguchi, Kosuke Saito, Hiroyuki Watanabe, Masahiro Ono
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-4sqmw
 
Category: Materials Science
,
Working Paper
, Title:

Flame-retardant and mechanically strong transparent papers produced via synergistic chemical‒mechanical loosening of wood pulp

, Authors: Haoguo Zhang, Shun Ishioka, Noriyuki Isobe, Katsunori Kimoto, Satoshi Okada, Yohsuke Goi, Shuji Fujisawa, Tsuguyuki Saito
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-3tqlc
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Depleting autoreactive B-cells using targeted photodynamic therapy

, Authors: Kevin Venrooij, Theogiannis Papadimitriou, Daphne Dorst, Kimberly Bonger
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-88r80
 
Category: Organic Chemistry
,
Working Paper
, Title:

Conformation-dependent Luminescence and Thermal Phase Transition of Crystals of a Tetrahydropentalene Derivative Bearing Aromatic Rings with Frustrated Free Rotation

, Authors: Tomoki Nagaoka, Yasunori Matsui, Takuya Ogaki, Hiroyoshi Naito, Hiroshi Ikeda
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-vdfj6
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Relativistic extended-coupled-cluster calculations of P, T -odd sensitivity parameters for diatomic molecules

, Authors: Kaushik Talukdar, Malaya K. Nayak, Nayana Vaval, Sourav Pal
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-sl53r
 
Category: Materials Chemistry
,
Working Paper
, Title:

4D Mapping of ZIF Biocomposites for High Protein Loading and Tunable Release Profiles

, Authors: Michael R. Hafner, Francesco Carraro, Behnaz Abbasgholi-NA, Simone Dal Zilio, Lingcong Ge, Michael R. Reithofer, Efwita Astria, Laura Villanova, Heinz Amenitsch, Christian Doonan, Paolo Falcaro
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-q50cb
 
Category: Catalysis
,
Working Paper
, Title:

Tin chloride metal salt modified carbon nitride for efficient hydrogen and hydrogen peroxide production from pure water via piezocatalysis

, Authors: Ying Pan, Luocheng Liao, Dan Qiao, Irene Lamata Bermejo, Yunya Liu, Ran Su, Nieves Lopez Salas
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-tzf6j
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Structure–activity relationships of fenarimol analogues with potent in vitro and in vivo activity against Madurella mycetomatis, the main causative agent of eumycetoma

, Authors: Hung Phat Duong, Dmitrij Melechov, Wilson Lim, Jingyi Ma, Kymberley Scroggie, Luxsika Rajendra, Ben Perry, Luiza Cruz, Peter Rutledge, Alice Motion, Wendy van de Sande, Matthew Todd
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-kj5x1
 
Category: Nanoscience
,
Working Paper
, Title:

NIR-triggered DNA etheno adducts photorepair with upconversion nanohybrids

, Authors: Laura Francés-Soriano, Gemma M. Rodríguez-Muñiz, Paloma Lizondo-Aranda, Delia Bellezza, María González-Bejar, Virginie Lhiaubet-Vallet
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-n6749
 
Category: Organic Chemistry
,
Working Paper
, Title:

Double Deoxygenative Coupling of Carboxylic Acids and Alcohols

, Authors: Vittorio Ciccone, Ryan E McNamee, Eva Lin, Cesar N. Prieto Kullmer, David MacMillan
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-mz8hz
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Cryopreservation and Post-Thaw Differentiation of Monocytes Enabled by Macromolecular Cryoprotectants which Restrict Intracellular Ice Formation

, Authors: Matthew Gibson, natalia Gonzalez-Martinez, Ruben M. F. Tomás, Akalabya Bissoyi, Agnieszka Nagorska, Alexandru Ilie
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-p0hwb
 
Category: Polymer Science
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Working Paper
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Reprocessable and highly creep-resistant covalent adaptable networks incorporating azine dynamic cross-links via free-radical polymerization

, Authors: Mathew Suazo, John Torkelson
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-vt1rt
 
Category: Physical Chemistry
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Working Paper
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Tracking Photothermal Heat Generation in ITO Nanocrystals and its Dissipation to their Surrounding Environment

, Authors: Boxi Li, Xiaobing Chen, Tanner A. Wilcoxson, Jiho Kang, Thomas M. Truskett, Delia J. Milliron, Carlos R. Baiz, Sean T. Roberts
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-vjjqz
 
Category: Materials Chemistry
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Review
, Title:

Electrochemical Crystallization in Aqueous Electrolytes: Unlocking the Complex Chemistry of a Seemingly Simple Molecule

, Authors: Stephen Fuller, Evalyn Wilber, Kent Zheng
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-xnm59
 
Category: Energy
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Working Paper
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Solvent-Mediated Electrolyte Design for Calcium Metal Batteries

, Authors: Zaher Slim, Carolina Cruz-Cardona, Clément Pechberty, Tomooki Hosaka, Zoran Mandić, Vladimir Panic, Patrik Johansson
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-rwt9q
 
Category: Energy
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Working Paper
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4,4’-Hydrazobis(1-Methylpyridinium) as a 2-Electron Posolyte Molecule for Aqueous Organic Redox Flow Batter-ies

, Authors: Hélène Lebel, Dominic Rochefort, Calvine Lai, Thomas Boulanger, Alizée Débiais, Louis Hamlet, Meysam Maleki, Marc-Antoni Goulet
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-zz9t7
 
Category: Organic Chemistry
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Working Paper
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Data Science-Guided Development of Deoxyfluorination Reagents with Enhanced Reactivity, Practicality, and Safety

, Authors: Madeline Ruos, Natalie Romer, Julie Deichert, Lady Mae Alabanza, Shivaani Gandhi, Giselle Brown, Richard Walroth, Karissa Cruz, Francis Gosselin, Allen Hong, Matthew Sigman, Abigail Doyle
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-l4zvs
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Obstacle detection during Navigation using Convolutional Neural Networks with LSTM

, Authors: Yash Mishra, Kedarnath Senapati
Version undefined posted 05 May 2025
Posted
May 05, 2025
10.26434/chemrxiv-2025-07bf4
 
Category: Organometallic Chemistry
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Working Paper
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Catalytic Reduction of Dinitrogen via Hydroboration

, Authors: Shun Suginome, Atsushi Okochi, Taiji Nakamura, Asuka Konomi, Hiromasa Tanaka, Kazunari Yoshizawa, Yoshiaki Nishibayashi
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-b4kvl
 
Category: Biological and Medicinal Chemistry
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Working Paper
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An Efficient Machine Learning-Based Prediction Model for JAK2 Inhibitor pIC50

, Authors: Shengyao Liang
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-3v3gw-v3
 
Category: Physical Chemistry
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Working Paper
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Spin-Selective Charge Flow Drives Ultrafast Magnetic Transitions in Type-II Bipolar Magnetic Heterostructures

, Authors: Yilv Guo, Thomas Heine
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-j7lrm-v2
 
Category: Organic Chemistry
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Working Paper
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Crown ether-cycloparaphenylene hybrid multimacrocycles: Insights into supramolecular gas sensing and biological potential

, Authors: Yaning Hu, Tong Li, Taotao Su, Wudi Shi, Yabing Yu, Beibei Li, Menghua Li, Sheng Zhang, Yuan-Qing Xu, Qi Liu, Di Wu, Youzhi Xu
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-925jm-v2
 
Category: Theoretical and Computational Chemistry
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Working Paper
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A Foundation Model for Accurate Atomistic Simulations in Drug Design

, Authors: Thomas Plé, Olivier Adjoua, Anouar Benali, Evgeny Posenitskiy, Corentin Villot, Louis Lagardère, Jean-Philip Piquemal
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-f1hgn-v3
 
Category: Organic Chemistry
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Working Paper
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Engineering the Photophysics of Cyanines by Chain C1´ Substituents

, Authors: Ottavio Bedocchi, Jan Polena, Jana Okoroncekova, Petr Slavíček, Petr Klán
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-mf3t3-v2
 
Category: Energy
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Working Paper
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LASSO for CALPHAD model selection enables data-efficient thermodynamic modeling: an application in thermochemical hydrogen production materials

, Authors: Pinwen Guan, Bert Debusschere, Sean R. Bishop, Matthew Witman, Anthony H. McDaniel
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2024-jtfwd-v2
 
Category: Inorganic Chemistry
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Working Paper
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Materials Informatics Tools to Analyze Crystal Structures: Crystal Structure of the Novel Ternary Indide ErCo2In

, Authors: Yuriy Tyvanchuk, Sangjoon Lee, Volodymyr Babizhetskyy, Volodymyr Smetana, Anja-Verena Mudring, Mariya Dzevenko, Emil I. Jaffal, Balaranjan Selvaratnam, Anton O. Oliynyk
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-v32qr-v2
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation

, Authors: Shebual Sebastian, Vaughan Riley, Binuki Wanniarachchi, Chris Ritchie, Lars Goerigk
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-1mqbt-v2
 
Category: Polymer Science
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Working Paper
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QC-Augmented GNNs for Few-Shot Prediction of Amorphous Polymer Properties via Multi-Scale Microstructures

, Authors: Yiwen Zhang, Zihao YE, Dejun HU, Shutao QI, Zuobang SUN, Junfeng YANG, Yan MA, Yi ZHANG, Junliang ZHANG, Zhiming LI
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-nt0jx-v3
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Optoelectronic characterization for some of the thermally activated delayed fluorescence (TADF) emitters using Density Functional Theory (DFT).

, Authors: Mona Sunaydih Alsaeedi
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-pb7qw-v2
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Kinetic predictions for SN2 reactions using the BERT architecture: Comparison and interpretation.

, Authors: Chloe Wilson, María Calvo, Stamatia Zavitsanou, James Somper, Ewa Wieczorek, Tom Watts, Jason Crain, Fernanda Duarte
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-0ln4g-v3
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Understanding the origin of stereoselectivity in the photochemical denitrogenation of 2,3-diazabicyclo[2.2.1]heptene and its derivatives with non-adiabatic molecular dynamics

, Authors: Leticia Adao Gomes, Steven Lopez
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-33ljh
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Computing L- and M-edge spectra using the DFT/CIS method with spin-orbit coupling

, Authors: Aniket Mandal, John Herbert
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-zfvnh
 
Category: Nanoscience
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Working Paper
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N-Heterocyclic Carbenes Excel at Functionalizing Diverse Carbon Surfaces with Robust Organic Monolayers

, Authors: Milad Shamsi, Robert Mayall, Fereshteh Vajhadin, Sara Cheema, Dianne Lee, Ahmadreza Nezamzadeh, Andrea Martinez, Jialang Li, Vinay Saini, Philip Egberts, Justin Lomax, Paul Ragogna, Justin MacCallum, Cathleen Crudden, Viola Birss
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-5l1bd
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Spiro Hydantoins Can Reverse the Action of Positive Allosteric Modulators on GABAARs

, Authors: Dimosthenis Koinas, Xiaojuan Zhou, Karol S. Bruzik, Keith W. Miller
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-k0kqh
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Enhancing Molecular Structure Elucidation with Reasoning-Capable LLMs

, Authors: Martin Priessner, Anna Tomberg, Jon Paul Janet, Richard Lewis, Magnus Johansson, Jonathan Goodman
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-8l64w
 
Category: Nanoscience
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Working Paper
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Peptide photoimmobilization by thiol-ene chemistry for enhanced neural cell adhesion

, Authors: Yu-Liang Tsai, Sotiria Moschopoulou-Triantafyllidou, Jiyao Yu, Sa'id Albarqawi, Tommaso Marchesi D‘Alvise, Lothar Veith, Rüdiger Berger, Christopher Synatschke
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-3t1tl
 
Category: Organic Chemistry
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Working Paper
, Title:

Carbenes Embedded in Cyclic Paraphenylenes: Detection, Ground State Spin-multiplicity, and Möbius Topology

, Authors: Ku Kajikawa, Francisco Martins, Ryo Murata, Eiichi Kayahara, Shigeru Yamago, Judy Wu, Manabu Abe
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-h3lv9
 
Category: Polymer Science
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Working Paper
, Title:

Catalyst-free amino-yne click polymerization toward functional polyamides

, Authors: Jie Zhang, Jie Chen, Anjun Qin, Ben Zhong Tang
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-nfkgb
 
Category: Nanoscience
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Working Paper
, Title:

Charge Transport through Linear Carbon Atomic Chains

, Authors: James M. F. Morris, Jarred Potter, Elena Gorenskaia, R. Tom Abram, Masnun Naher, Chiara E. Spano, Eloise L. Dixon, Amit Sil, Elodie Rousset, Simon J. Higgins, Richard J. Nichols, Paul J. Low, Andrea Vezzoli
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-srbwj
 
Category: Physical Chemistry
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Working Paper
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Azobenzene DNA intercalator/cyclodextrin pseudo-rotaxane: from photoswitchable chirality and fluorescence to DNA melting control

, Authors: Olivier Abodja, Astrid Walrant, Sergii Rudiuk, Mathieu Morel, Damien Baigl
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-j1mtw
 
Category: Catalysis
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Working Paper
, Title:

Synthesis of Cyclic Sulfilimines and Sulfoximines via Copper Mediated C(sp2)–H Sulfanylation of Benzylamines with a Catalytic Transient Directing Group

, Authors: Tsz-Kan Ma, Peerawat Saejong, King-Long Or, Callum S Begg, James A Bull
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-bfv34
 
Category: Catalysis
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Working Paper
, Title:

Enzymatic Stereodivergent Synthesis of Azaspiro[2.y]alkanes

, Authors: Jennifer L. Kennemur, Yueming Long, Catherine J. Ko, Anuvab Das, Frances H. Arnold
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-m7201
 
Category: Organic Chemistry
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Working Paper
, Title:

Direct Acylation of Alkyl and Aryl Bromides via Nickel-Catalyzed Aldehyde C–H Functionalization

, Authors: Sean Calvert, Austin Ventura, Aidan Cosgrove, John Montgomery
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-3pg3p
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Benchmarking the GW Approximation Against Coupled- Cluster Theory for 3d Transition Metals

, Authors: Laura Galleni, Daniel Escudero, Thomas-C. Jagau, Michiel van Setten, Maristella Alessio
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-9c6mn
 
Category: Organic Chemistry
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Working Paper
, Title:

Structural Diversification of 14-Membered Macrolides by Chemoenzymatic Synthesis

, Authors: Brian J Curtis, Hannah A Boesger, Jennifer J Schmidt, Maria L Adrover-Castellano, Areeba N Momin, Carolyn A Glasser, David H. Sherman
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-8jfd8
 
Category: Organic Chemistry
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Working Paper
, Title:

Nickel-Catalyzed Cross-Dehydrogenative Aldehyde Allylation

, Authors: Ammar Ibrahim, Yuriko Fujisato, Paul Zimmerman, John Montgomery
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-gbv0j
 
Category: Polymer Science
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Working Paper
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Recyclable Ethylene-Vinyl Acetate Covalent Adaptable Networks and Their Structure-Property Relationships

, Authors: Logan Fenimore, Mathew Suazo, Boran Chen, Stephanie Barbon, Hayley Barbon, Evelyn Auyeung, Colin Li Pi Shan, John Torkelson
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-d9s5r
 
Category: Catalysis
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Working Paper
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Node-Solution Microenvironment Governs the Selectivity of Thioanisole Oxidation within Catalytic Zr-based Metal–Organic Framework

, Authors: Hafsa Abdul Ghuffar, Zaheer Masood, Bin Wang, Hyunho Noh
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-lr080
 
Category: Materials Science
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Review
, Title:

Advances in Upconversion Nanoparticle Synthesis Methods for Photovoltaic Solar Cell

, Authors: Promise Ubah, Olumide Esan, Elvis Okoronkwo
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-t9974
 
Category: Inorganic Chemistry
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Working Paper
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Electronic Manifestations of Scandide Contraction: Theoretical Photoelectron Spectroscopy of Monovalent Group 13 Compounds

, Authors: Jeanet Conradie, Kristian Torstensen, Pekka Pyykkö, Abhik Ghosh
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-cmpv3
 
Category: Polymer Science
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Working Paper
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Effective Porous Filler Design for Streaming Potential-Driven Electropolymerization

, Authors: Suguru Iwai, Ryota Kirino, Elena Villani, Kosuke Sato, George Hasegawa, Norio Ishizuka, Kimihiro Matsukawa, Ikuyoshi Tomita, Shinsuke Inagi
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-94p81
 
Category: Catalysis
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Working Paper
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Covalent Organic Framework Solid Solutions for Combined Near-Infrared Photodynamic and Drug Delivery Cancer Therapy

, Authors: Andrés Rodríguez-Camargo, Erdost Yildiz, Diego Juela, Felix Richard Fischer, Daniel Graf, Bibhuti Bhusan Rath, Christian Ochsenfeld, Matthias Bauer, Metin Sitti, Liang Yao, Bettina V. Lotsch
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-b0bbm
 
Category: Materials Chemistry
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Review
, Title:

Accelerated Development of Energy Materials through Automation and Artificial Intelligence

, Authors: Abhishek Soni, Shipeng Jia, Corson Chao, Iwnetim Abate
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-tg9rn
 
Category: Organic Chemistry
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Working Paper
, Title:

Photoinduced Cleavage of Alkenyl Fluorides for Nucleophilic Acyl Substitution via In Situ Generated Acyl Fluorides

, Authors: Emma Gogarnoiu, Melissa Griffin, Ajay Bansode, Joshua Paolillo, Joseph Bergen, Marvin Parasram
Version undefined posted 06 May 2025
Posted
May 06, 2025
10.26434/chemrxiv-2025-jgr1s
 
Category: Organic Chemistry
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Working Paper
, Title:

Distance-Dependence of Photo-CIDNP in Biomimetic Tryptophan-Flavin Diads

, Authors: Tobias Theiss, Guzel Musabirova, Luca Gerhards, Irina S. Anisimova, Ben G. E. Zoller, Thi Ngoc Ha Nguyen, Dmitry Denisov, Anton Schmidt, Sabrina Panter, Stefan Weber, Christoph Tegenkamp, Ilia A. Solov’yov, Jörg Matysik, Tanja Gulder
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-vkx9l
 
Category: Polymer Science
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Working Paper
, Title:

Fully Recyclable and Remarkably Robust Cross-linked Polyethylene Networks via Direct Free-Radical Copolymerization with Disulfide Dynamic Covalent Bonds

, Authors: Logan Fenimore, Mathew Suazo, Sarah Mitchell, Hadi Mohammadi, Kimberly Miller McLoughlin, Patryk Sewruk, Markus Busch, John Torkelson
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-00bmb
 
Category: Physical Chemistry
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Working Paper
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Probing Isomers and Conformers by Cryogenic Ion Vibrational Spectroscopy: Deprotonated States of Valine and Aminovaleric Acid

, Authors: Lane Terry, Maddie Klumb, Deacon Nemchick, Robert Hodyss, J. Mathias WEBER
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-xf3d2
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Molecular Dynamics and Free Energy Perturbation Analysis of Guava (Psidium guajava) Leaf-Derived Inhibitors Against Coagulation Factor IXa

, Authors: Joseph De Luna, Shanahi Chelledie Gonzales, Jimuel Jan Nuqui, Evalyn Capinding, Corazon Sacdalan
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2024-zrhp9-v2
 
Category: Chemical Engineering and Industrial Chemistry
,
Review
, Title:

The Early-Modern History Of The Lead Acid Battery: 1840 To 1940

, Authors: Enrico Manfredi-Haylock, David Payne
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-93f7r-v2
 
Category: Materials Science
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Review
, Title:

Injectable Biomaterials for Trabecular Bone Regeneration: Current Strategies and Future Directions

, Authors: Amna Sadiq, Paweł Sać, Nicolas Maciejewicz-Kamiński, Agata Goszczyńska, Miroslawa El Fray
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-nt10h-v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Dibromocarbene Addition to Bicyclo[1.1.0]butanes: A Facile Route to Substituted Bicyclo[1.1.1]pentanes

, Authors: Flynn C. Attard, Andrii Slobodianyk, Roman Bychek, Yaroslav Panasiuk, Philipp Neigenfind, Luca Massaro, Michael Gardiner, Vadym V. Levterov, Phil S. Baran, Pavel K. Mykhailiuk, Lara R. Malins
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2024-rr5p5-v2
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Combining Physics-Based Protein–DNA Energetics with Machine Learning to Predict Interpretable Transcription Factor-DNA Binding

, Authors: Carmen Al Masri, Jin Yu
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-mc5q4
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Polynomial Scaling Localized Active Space Unitary Selective Coupled Cluster Singles and Doubles

, Authors: Shreya Verma, Ruhee D'Cunha, Abhishek Mitra, Matthew R. Hermes, Stephen K. Gray, Matthew Otten, Laura Gagliardi
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-1n3d4
 
Category: Physical Chemistry
,
Working Paper
, Title:

Salt Effect on DNA Denaturation

, Authors: Daniel A. Ostrovsky, Mikhail V. Ostrovsky
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-kd4z0
 
Category: Chemical Engineering and Industrial Chemistry
,
Review
, Title:

Emerging Perspectives in Non-Newtonian Fluid Dynamics: Research Gaps, Evolving Methods, and Conceptual Limitations

, Authors: Ashish Garg, Bhargav Akkinepally, Jayati Sarkar, Sudip K. Pattanayek
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-9x1kj
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

A Multifunctional Anionic Cyclotriphosphazene-Based MOF Featuring a Heptanuclear Zn(II) Cluster for Selective Chemical Sensing and Efficient Photocatalytic Activity

, Authors: Afranur Pendar, Elif Özcan, Hüseyin Cengiz Yatmaz, Yunus Zorlu
Version undefined posted 07 May 2025
Posted
May 07, 2025
10.26434/chemrxiv-2025-861s1
 
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