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ChemRxiv: Preprint-Publikationen

Agnieszka Dybala-Defratyka · Szymon Zaczek

Revealing the unknown aspects of initial steps of prenylated flavin mononucleotide biosynthesis – the role of Lys129 in PaUbiX

Ashwin Kumar Rajagopalan · Hassan Azzan et al.

Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents

Garvit Agarwal · Steven Dajnowicz et al.

High-dimensional neural network potential for liquid electrolyte simulations

Kashif Mairaj Deen · Hafiz Zeeshan Wadood et al.

Effect of Bacillus and Pseudomonas biofilms on the corrosion behavior of AISI 304 stainless steel

Zisheng Zhang · Ziyang Wei et al.

Hydrogen-Induced Restructuring of a Cu(100) Electrode in Electroreduction Conditions

Jia-Rong Chen · Peng-Zi Wang et al.

Light empowers contra-thermodynamic stereochemical editing

Gen Hayase

Optical tactile sensor using scattering inside sol–gel-derived flexible macroporous monoliths

Job Boekhoven · Brigitte Kriebisch et al.

Kinetic traps in chemically fueled self-assembly and how to overcome them.

Ksenija Glusac · Alexei Goun

Ultrafast Laser Pulse Generation by Mode Locking: Matlab-based Demonstrations

Theodore L. Fobe · Christopher C. Walker et al.

Folding Coarse-Grained Oligomer Models with PyRosetta

David Buterez · Jon Paul Janet et al.

Multi-fidelity machine learning models for improved high-throughput screening predictions

Mosarrat Samiha Kabir · Renzun Zhao et al.

Sources, Occurrence, and Removal of Microplastic/Nanoplastic in landfill leachate: A Comprehensive Review

Ashlee J. Howarth · Hudson A. Bicalho et al.

Unravelling the synthesis of a rare-earth cluster-based metal–organic framework with spn topology

Anupam Bandyopadhyay · Saurav Chatterjee et al.

Capturing sialyl-glycan via a site-selective installation of boronic acid repertoire in peptides

Junfei Zhang · Yueqi Li et al.

Machine-Learning Prediction of the Computed Band Gaps of Double Perovskite Materials

David Danaci · Mai Bui

Supply chain readiness for widespread deployment of carbon capture and storage

Emma Schymanski · Shadrack Barnabas et al.

Extraction of Chemical Structures from Literature and Patent Documents using Open Access Chemistry Toolkits: A Case Study with PFAS

Yinyin Bao · suiying ye et al.

Machine Learning-assisted Exploration of a Universal Polymer Platform with Charge Transfer-dependent Full-color Emission

Raoul-Marie Couture · Wessam Neweshy et al.

Response of sediment phosphorus partitioning to lanthanum-modified clay amendment and porewater chemistry in a small eutrophic lake.

Tim Cernak · Nathan Gesmundo et al.

Miniaturization of Popular Reactions from the Medicinal Chemists’ Toolbox for Ultrahigh-Throughput Experimentation

Marcin Szymon Filipiak · Maria Wróblewska et al.

Facilitating field-effect transistor based (bio)sensor research with a miniaturized bipotentiostat

Jules Schleinitz · Maxime Langevin et al.

Guidelines for Machine Learning Yield Prediction from Small-Size Literature Dataset

Ulrich Luecking

Sulfoximines in Medicinal Chemistry: Emerging Trends and Opportunities from the Drug Designer’s Perspective

Thomas Hackl · Navid Shakiba et al.

Monitoring metabolic changes during storage of hazelnuts (Corylus avellana L.) by 1H NMR spectroscopy

Cassandra Pegg · Benjamin Schulz et al.

Glycosylation and the global virome

Bastien Nay · Bruce Lockett-Walters et al.

A concise total synthesis of phytotoxic radulanin A facilitated by the photochemical ring expansion of a 2,2-dimethylchromene in flow

Miroslawa El Fray · Nina Kantor-Malujdy et al.

Poly(butylene-succinate)-based blends with enhanced oxygen permeability

Julie Macpherson · Haytham Hussein et al.

Electron Beam Transparent Boron Doped Diamond Electrodes for Combined Electrochemistry – Transmission Electron Microscopy

Régis Gauvin · Nicolas Merle et al.

High-field NMR, reactivity, and DFT modeling reveal the gamma-Al2O3 surface hydroxyl network.

Dorota Gryko · Katarzyna Orłowska et al.

UV Light is no Longer Required for the Activation of 1,3,4-Oxadiazolines

Pavel Buslaev · Noora Aho et al.

Best practices in constant pH MD simulations: accuracy and sampling

Gregory B. Kharas · Emma J. Clajus et al.

Synthesis and styrene copolymerization of novel methoxy, methyl, halogen and oxy ring-disubstituted octyl phenylcyanoacrylates

Patrick Sullivan · Xiu-Liang Lv et al.

The Economically Sustainable Hydrothermal Synthesis of Dextrosil-Viologen as a Robust Anolyte in Aqueous Redox Flow Batteries

Anjali Kurup · Ankit Patras et al.

Influence of UV-A radiation on the Selected Nutrient Composition and Volatile Profiling of Whole Milk: Safety and Quality Evaluation

Xian-Hu Zha · Xiufang Ma et al.

Surface potential-determined performance of Ti- and Zr-containing MXenes as anode materials of sodium ion batteries

Peyman Z. Moghadam · Lawson Glasby et al.

DigiMOF: A Database of MOF Synthesis Information Generated via Text Mining

Carlo Matera · Pablo Calvé et al.

Reversible photocontrol of dopaminergic transmission in wild-type animals

Giulio Ragazzon · Emanuele Penocchio

Kinetic asymmetry profiles as a holistic approach to engineer molecular non-equilibrium systems

Jamie W. Gittins · Alexander C. Forse et al.

Enhancing the Energy Storage Performances of Metal-Organic Frameworks by Controlling Microstructure

Peter Faller · Enrico Falcone et al.

Copper-catalysed glutathione oxidation is accelerated by the anticancer thiosemicarbazone Dp44mT and further boosted at lower pH

Yehor Malets

Object approach to the organic molecule representation

Aristides Zdetsis

Constructive Quantum Interference in Isolated Armchair Graphene Nanoribbons?

Simon Aldridge · Andreas Heilmann et al.

Coordination and homologation of CO at Al(I): mechanism and chain growth, branching, isomerization and reduction

Iker Ortiz de Luzuriaga · Adrià Gil et al.

Unravelling the Binding Affinity and Selectivity of Molybdenum (II) Phenanthroline Complexes with DNA G-Quadruplexes by Using Linear-Scaling DFT studies. The Important Role of Ancillary Ligands

Di Wu · Cody Cockreham et al.

Energetic Stability and Interfacial Complexity of Ti3C2Tx MXenes Synthesized with HF/HCl and CoF2/HCl as Etching Agents

Zhen-Feng Cai · Timon Käser et al.

Visualizing On-Surface Decomposition Chemistry at the Nanoscale Using Tip-Enhanced Raman Spectroscopy

Yanwen Li · Decai Li

Hexagonal Structure Enhancing Damping Efficiency Inspired by Tree Frogs

Stefania Impellizzeri · Lavinia Trifoi et al.

Facile Supramolecular Strategy to Construct Solid Fluorophore@Metal-Organic Framework Composites

Govindasamy Jayamurugan · Raina Sharma et al.

Realizing Direct Conversion of Glucose to Furfurals with Tunable Selectivity Utilizing a Carbon Dot Catalyst with Dual Acids Controlled by a Biphasic Medium

Loredana Valenzano-Slough · Gemechis Degaga et al.

A Quantum Mechanical Description of the Diffusion Properties of C1-C2 Hydrocarbon Molecules in MOF-74-Mg