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Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Reactants, Products, and Transition States of Elementary Chemical Reactions Based on Quantum Chemistry

, Authors: Colin Grambow, Lagnajit Pattanaik, William H. Green
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.11400240.v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Pyclen Based Ln(III) Complexes as Highly Luminescent Bioprobes for in Vitro and in Vivo 1P and 2P Bioimaging Applications

, Authors: Nadège Hamon, Amandine Roux, Maryline Beyler, Jean-Christophe Mulatier, Chantal Andraud, Christophe Nguyen, Marie Maynadier, Nadir Bettache, Alain Duperray, Alexei Grichine, Sophie Brasselet, Magali Gary-Bobo, Olivier MAURY, Raphael Tripier
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12047532.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Solution chemistry effects on the solvation shell of metal ions

, Authors: Xiangwen Wang, Dimitrios Toroz, Seonmyeong Kim, Simon Clegg, Gun-Sik Park, Devis Di Tommaso
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12048738.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

In Silico Identification and Docking-Based Drug Repurposing Against the Main Protease of SARS-CoV-2, Causative Agent of COVID-19

, Authors: Yogesh Kumar, Harvijay Singh
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12049590.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through-Space Transport Pathways

, Authors: Lilia S. Xie, Sarah S. Park, Michał J. Chmielewski, Hanyu Liu, Ruby A. Kharod, Luming Yang, Michael G. Campbell, Mircea Dinca
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12049584.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

A Microfluidic Sensing System with a Multichannel Surface Plasmon Resonance Chip: Damage-free Characterization of Cells by Pattern Recognition

, Authors: Hiroka Sugai, Shunsuke Tomita, Sayaka Ishihara, Kyoko Yoshioka, Ryoji Kurita
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052422.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Discovery and Biocatalytic Application of a PLP-Dependent Amino Acid γ-Substitution Enzyme that Catalyzes C-C Bond Formation

, Authors: Mengbin Chen, Chun-Ting Liu, Yi Tang
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052410.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Impact of Binding to the Multidrug Resistant Regulator Protein LmrR on the Photo-Physics and -Chemistry of Photosensitizers

, Authors: Sara H Mejías, Gerard Roelfes, wesley browne
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052443.v1
 
Category: Catalysis
,
Working Paper
, Title:

Small Crown-Ether Complexes as Molecular Models for Dihydrogen Adsorption in Undercoordinated Extraframework Cations in Zeolites

, Authors: Toshiki Wulf, Thomas Heine
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052650.v1
 
Category: Catalysis
,
Working Paper
, Title:

Beta-PdBi2 Monolayer: Two-Dimensional Topological Metal with Superior Catalytic Activity for Carbon Dioxide Electroreduction to Formic Acid

, Authors: Xiaorong Zhu, Yu Wang, Yu Jing, Thomas Heine, Yafei Li
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052677.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives

, Authors: Birgit Meindl, Katharina Pfennigbauer, Berthold Stöger, Martin Heeney, Florian Glöcklhofer
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052647.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Influence of VC and FEC Additives on Interphase Properties of Carbon in Li-Ion Cells Investigated by Combined EIS & EQCM-D

, Authors: Paul Kitz, Matthew Lacey, Petr Novák, Erik Berg
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052803.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Ligand Field-Actuated Non-Innocence of Acetylacetonate

, Authors: Morten Gotthold Vinum, Laura Voigt, Steen Hansen, Colby Bell, Kensha Marie Clark, René Wugt Larsen, Kasper Pedersen
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12052884.v1
 
Category: Materials Science
,
Working Paper
, Title:

Biodegradable Poly(ester) Urethane Acrylate Resins for Digital Light Processing: From Polymer Synthesis to 3D Printed Tissue Engineering Constructs

, Authors: Matthew Baker, Rong Wang, Febriyani Damanik, Tobias Kuhnt, Hans Ippel, Piet Dijkstra, Tessa ten Cate, Aylvin Dias, Lorenzo Moroni
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12053037.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Copper-Graphene-TiO2 Hybrid Materials for Photocatalytically Assisted H2 Generation

, Authors: David Maria Tobaldi, Kamila Koci, Miroslava Edelmannova, Luc Lajaunie, Bruno Figueiredo, José Calvino, Maria Paula Seabra, Joao Antonio Labrincha
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12053076.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

An Asymmetric Mechanism in a Symmetric Molecular Machine

, Authors: Florian Blanc, Marco Cecchini
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12053247.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

PhotoAffinity Bits: A Photoaffinity-Based Fragment Screening Platform for Efficient Identification of Protein Ligands

, Authors: Emma K. Grant, David J. Fallon, Michael M. Hann, Ken G. M. Fantom, Chad Quinn, Francesca Zappacosta, Roland S. Annan, Chun-wa Chung, Paul Bamborough, David P. Dixon, Peter Stacey, David House, Vipulkumar K. Patel, Nicholas C. O. Tomkinson, Jacob T. Bush
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12053445.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Palladium-Catalysed C–F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity

, Authors: Feriel Rekhroukh, Wenyi Chen, Ryan Brown, Andrew J. P. White, Mark Crimmin
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12053601.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Continuous and Scalable Synthesis of a Porous Organic Cage by Twin Screw Extrusion (TSE)

, Authors: Benjamin Egleston, Michael C. Brand, Francesca Greenwell, Michael E. Briggs, Stuart L. James, Andrew I. Cooper, Deborah E. Crawford, Rebecca L. Greenaway
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12053991.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Suzuki–Miyaura cross-coupling for chemoproteomic applications

, Authors: Jian Cao, Ernest Armenta, Lisa Boatner, Heta Desai, Neil Chan, Jose Castellon, Keriann Backus
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12055218.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Driving Torsion Scans with Wavefront Propagation

, Authors: Yudong Qiu, Daniel Smith, Chaya Stern, Mudong Feng, Lee-Ping Wang
Version undefined posted 01 April 2020
Posted
Apr 01, 2020
10.26434/chemrxiv.12044673.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics

, Authors: Paolo Raiteri, Alicia Schuitemaker, Julian Gale
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.11879805.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Intramolecular Proton Transfer in the Isomerization of Hydroxyacetone: A Detailed Characterization Based on Reaction Force Analysis and the Bond Fragility Spectrum

, Authors: Wallace Derricotte, Huiet Joseph
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12049062.v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Identification of Compounds from Nigella Sativa as New Potential Inhibitors of 2019 Novel Coronasvirus (Covid-19): Molecular Docking Study.

, Authors: Salim Bouchentouf, Noureddine Missoum
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12055716.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthetic Routes to Novel Fluorogenic Pyronins and Silicon Analogs with Far-Red Spectral Properties and Enhanced Aqueous Stability

, Authors: Garance Dejouy, Kévin RENAULT, Ibai E. Valverde, Anthony ROMIEU
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12055893.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Targeted Protein Degradation via a Covalent Reversible Degrader Based on Bardoxolone

, Authors: Bingqi Tong, Mai Luo, Yi Xie, Jessica Spradlin, John A. Tallarico, Jeffrey M. McKenna, Markus Schirle, Thomas J. Maimone, Daniel Nomura
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12055935.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Kinetic Versus Thermodynamic Metalation Enables Synthesis of Isostructural Homo- and Heterometallic Trinuclear Clusters

, Authors: Sung-Min Hyun, Apoorva Upadhyay, Anuvab Das, Corey Burns, Siyoung Sung, Jeremy Beaty, Nattamai Bhuvanesh, Michael Nippe, David Powers
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12056028.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of an Oxathiolane Drug Substance Intermediate Guided by Constraint Driven Innovation

, Authors: Komirishetty Kashinath, David Snead, Justina Burns, Rodger W. Stringham, B. Frank Gupton, D. Tyler McQuade
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12056127.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

A CONTINUOUS FLOW SULFURYL CHLORIDE BASED REACTION – SYNTHESIS OF A KEY INTERMEDIATE IN A NEW ROUTE TOWARD EMTRICITABINE AND LAMIVUDINE

, Authors: Juliana de Souza, Mateo Berton, David Snead, D. Tyler McQuade
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12056142.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Machine-Learning Coupled Cluster Properties through a Density Tensor Representation

, Authors: Benjamin Peyton, Connor Briggs, Ruhee D'Cunha, Johannes T. Margraf, Thomas Crawford
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12056178.v1
 
Category: Catalysis
,
Working Paper
, Title:

Room temperature Palladium-Catalyzed C─H Functionalization of Benzothiazole with Iodo(Hetero)Arenes

, Authors: Yuvraj Bhujbal, kamlesh vadagaonkar, santosh kori, Anant Kapdi
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12055305.v1
 
Category: Catalysis
,
Working Paper
, Title:

Fe-Catalyzed Conjunctive Cross-Couplings of Unactivated Alkenes with Grignard Reagents

, Authors: Lei Liu, Wes Lee, Cassandra R. Youshaw, Mingbin Yuan, Michael B. Geherty, Peter Y. Zavalij, Osvaldo Gutierrez
Version undefined posted 02 April 2020
Posted
Apr 02, 2020
10.26434/chemrxiv.12049377.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Two-Phase Synthesis of Taxol®

, Authors: Yuzuru Kanda, Hugh Nakamura, Shigenobu Umemiya, Ravi Kumar Puthukanoori, Venkata Ramana Murthy Appala, Gopi Krishna Gaddamanugu, Bheema Rao Paraselli, Phil Baran
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12061620.v1
 
Category: Materials Science
,
Working Paper
, Title:

Silicon incorporation in polymethine dyes

, Authors: Monica Pengshung, Patrick Neal, Timothy Atallah, Junho Kwon, Justin Caram, Steven Lopez, Ellen Sletten
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.11320064.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Ligand-Controlled Regiodivergent Palladium-Catalyzed Hydrogermylation of Ynamides

, Authors: Vincent Debrauwer, Aneta Turlik, Lénaïc Rummler, Alessandro Prescimone, Nicolas Blanchard, Kendall N Houk, Vincent Bizet
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12033831.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Polyamorphism Mirrors Polymorphism in the Liquid–Liquid Transition of a Molecular Liquid

, Authors: Finlay Walton, John Bolling, Andrew Farrell, Jamie MacEwen, Christopher Syme, Mario González Jiménez, Hans Martin Senn, Claire Wilson, Gianfelice Cinque, Klaas Wynne
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.9891491.v2
 
Category: Materials Science
,
Working Paper
, Title:

Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures

, Authors: Stefano Toso, Quinten A. Akkerman, Beatriz Martín-García, Mirko Prato, Juliette Zito, Ivan Infante, Zhiya Dang, Anna Moliterni, Cinzia Giannini, Eva Bladt, Ivan Lobato, Julien Ramade, Joka Buha, Sara Baals, Davide Spirito, Enrico Mugnaioli, mauro gemmi, Liberato Manna
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12058437.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Systemic in Silico Screening in Drug Discovery for Coronavirus Disease (COVID-19) with an Online Interactive Web Server

, Authors: Chi Xu, Zunhui Ke, Chuandong Liu, Zhihao Wang, Denghui Liu, Lei Zhang, Jingning Wang, Wenjun He, Zhimeng Xu, Yanqing Li, Yanan Yang, Zhaowei Huang, Panjing Lv, Xin Wang, Dali Han, Yan Li, Nan Qiao, Bing Liu
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12058143.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

In Silico Analysis of Intermediate Hosts and Susceptible Animals of SARS-CoV-2

, Authors: Canrong Wu, Mengzhu Zheng, Yueying Yang, Mingxue Li, Yang Liu, Peng Zhang, Yali Wang, Qiqi Wang, Yang Xu, Lixia Chen, Hua Li
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12057996.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Molecular Packaging of Biocatalysts Using a Robust Protein Cage

, Authors: Nikola Lončar, Henriette J. Rozeboom, Linda E. Franken, Marc C. A. Stuart, Marco Fraaije
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12063243.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Chemical to Electrical Transduction using Fuel Cell Powered Organic Electrochemical Transistors

, Authors: Siew Ting Melissa Tan, Alexander Giovannitti, Armantas Melianas, Maximilian Moser, Benjamin L. Cotts, Devan Singh, Iain McCulloch, Alberto Salleo
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12071136.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Incorporating Functionalized Cellulose to Increase the Toughness of Covalent Adaptable Networks

, Authors: Jeremy Swartz, William Dichtel
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12061152.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Molecular Docking Reveals the Potential of Aliskiren, Dipyridamole, Mopidamol, Rosuvastatin, Rolitetracycline and Metamizole to Inhibit COVID-19 Virus Main Protease

, Authors: Omar Aly
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12061302.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Thermoelasticity in Organic Semiconductors Determined with Terahertz Spectroscopy and Quantum Quasi-Harmonic Simulations

, Authors: Peter A. Banks, Jefferson Maul, Mark T. Mancini, Adam C. Whalley, Alessandro Erba, Michael Ruggiero
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12061377.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Ultrafast Exciton Dynamics in Two Dimensional Covalent Organic Frameworks Reveals Size Dependence to Exciton Diffusion

, Authors: Nathan C. Flanders, Matthew S. Kirschner, Pyosang Kim, Thomas Fauvell, Austin Evans, Waleed Helweh, Austin P. Spencer, Richard D. Schaller, William Dichtel, Lin X. Chen
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12061200.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

T Cell Epitope-Based Vaccine Design for Pandemic Novel Coronavirus 2019-nCoV

, Authors: Dr. Seema Mishra
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12029523.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

2019-nCoV vs. SARS-CoV: Which Truly Has a Higher ACE2 Affinity? A Quantum Chemical Perspective on Virus-Receptor Noncovalent Interactions

, Authors: Nitai Sylvetsky
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12063153.v1
 
Category: Materials Science
,
Working Paper
, Title:

Nacre-like Alumina Composites Based on Heteroaggregation

, Authors: Mariana Muñoz, Manuella Cerbelaud, Arnaud Videcoq, Hassan Saad, Alexandre Boulle, Sylvain Meille, Sylvain Deville, Fabrice Rossignol
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12063183.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Direct Synthesis of Unprotected 2-Azidoamines from Alkenes via an Iron-Catalyzed Difunctionalization Reaction

, Authors: Szabolcs Makai, Eric Falk, Bill Morandi
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12063411.v1
 
Category: Materials Science
,
Working Paper
, Title:

Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Properties and Molecular Nonlinearity

, Authors: Zeyu Liu, Shugui Hua, Tian Lu, Ziqi Tian
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12063261.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Nanorobots Sense Local Physiochemical Heterogeneities of Tumor Matrisome

, Authors: Debayan Dasgupta, Dharma Pally, Deepak K. Saini, Ramray Bhat, Ambarish Ghosh
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12063420.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Supramolecular Encapsulation of Small-Ultra Red Fluorescent Proteins in Virus-Like Nanoparticles for Non-Invasive In Vivo Imaging Agents

, Authors: Fabian C. Herbert, Olivia Brohlin, Tyler Galbraith, Candace Benjamin, Cesar A. Reyes, Michael A. Luzuriaga, Arezoo Shahrivarkevishahi, Jeremiah J. Gassensmith
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12067851.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

NMR-TS: De Novo Molecule Identification from NMR Spectra

, Authors: Jinzhe Zhang, Kei Terayama, Masato Sumita, Kazuki Yoshizoe, Kengo Ito, Jun Kikuchi, Koji Tsuda
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12057900.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Increasing the Functional Group Diversity in Helical β-Peptoids: Achievement of Solvent- and pH-Dependent Folding

, Authors: Isabelle Wellhöfer, Janina Beck, Karla Frydenvang, Stefan Bräse, Christian Adam Olsen
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12044586.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

A Mild and Simple Method for Making MIDA Boronates

, Authors: Aidan Kelly, Peng-Jui (Ruby) Chen, Jenna Klubnick, Daniel J. Blair, Martin D. Burke
Version undefined posted 03 April 2020
Posted
Apr 03, 2020
10.26434/chemrxiv.12054036.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Computational design of ACE2-based short peptide inhibitors of SARS-CoV-2

, Authors: Yanxiao Han, Petr Kral
Version undefined posted 04 April 2020
Posted
Apr 04, 2020
10.26434/chemrxiv.12061734.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Discovery of Aptamers Targeting Receptor-Binding Domain of the SARS-CoV-2 Spike Glycoprotein

, Authors: Yanling Song, Jia Song, Xinyu Wei, Mengjiao Huang, Miao Sun, Lin Zhu, Bingqian Lin, Haicong Shen, Zhi Zhu, Chaoyong Yang
Version undefined posted 04 April 2020
Posted
Apr 04, 2020
10.26434/chemrxiv.12053535.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Photo-Electrochemical Properties of CuO–TiO2 Heterojunctions for Glucose Sensing

, Authors: David Maria Tobaldi, Claudia Espro, salvarore gianluca leonardi, Luc Lajaunie, Maria Paula Seabra, José Calvino, Silvia Marini, Joao Antonio Labrincha, giovanni neri
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12068307.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

[(MeCN)Ni(CF3)3]1– and [Ni(CF3)4]2– : Foundations Towards the Development of Trifluoromethylations at Unsupported Nickel

, Authors: Scott T. Shreiber, Ida M. DiMucci, Mikhail Khrizanforov, Charles J. Titus, Dennis Nordlund, Yulia B. Dudkina, Roger E. Cramer, Yulia Budnikova, Kyle M. Lancaster, David Vicic
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12071673.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

PolypharmDB, a Deep Learning-Based Resource, Quickly Identifies Repurposed Drug Candidates for COVID-19

, Authors: Dar'ya S. Redka, Stephen S. MacKinnon, Melissa Landon, Andreas Windemuth, Naheed Kurji, Vijay Shahani
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12071271.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Evaluation of Flavonoids as 2019-nCoV Cell Entry Inhibitor Through Molecular Docking and Pharmacological Analysis

, Authors: Deep Bhowmik, Rajat Nandi, Diwakar Kumar
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12071508.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Blood Retention and Antigenicity of Polycarboxybetaine-Modified Liposomes

, Authors: Taka-aki Ryujin, Taro Shimizu, Ryo Miyahara, Rena Shimazui, Takuma Yoshikawa, Akihiro Kishimura, Takeshi Mori, Tatsuhiro Ishida, Yoshiki Katayama
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12072168.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

London Dispersion Governs the Interaction Mechanism of Small Polar and Non-Polar Molecules in Metal-Organic Frameworks

, Authors: Patrick Melix, Thomas Heine
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12033804.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Expedient Method for Direct Mono-amidation of Phosphonic and Phosphoric Acids

, Authors: Victoria Yan, Cong-Dat Pham, Florian Muller
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12073131.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Posttranscriptional Site-Directed Spin Labeling of Large RNAs with an Unnatural Base Pair System Under Non-Denaturing Conditions

, Authors: Yan Wang, Venkatesan Kathiresan, Yaoyi Chen, Yanping Hu, Wei Jiang, Guangcan Bai, Guoquan Liu, Peter Z. Qin, Xianyang Fang
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12058914.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and Spectral Properties of 6'-Triazolyl-Dihydroxanthene-Hemicyanine Fused Near-Infrared Dyes

, Authors: Gu Lingyue, Kévin RENAULT, Anthony ROMIEU, Jean-Alexandre RICHARD, Rajavel Srinivasan
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12078138.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Activation and Functionalization of C–C σ-Bonds of Alkylidene Cyclopropanes at Main Group Centers

, Authors: Mark Crimmin, Richard Y Kong
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12034296.v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

The influence of water in the synthesis of Zr-based metal-organic framework UiO-66: isolation and reactivity of the new species [ZrCl(OH)2(DMF)2]Cl

, Authors: Marco Taddei, Jeroen A. van Bokhoven, Marco Ranocchiari
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.11382165.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

General Cluster Sorption Isotherm

, Authors: Christoph Buttersack
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12073869.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Probing the 14-3-3 Isoform-Specificity Profile of Interactions Stabilized by Fusicoccin A

, Authors: James Frederich, Ananya Sengupta, Josue Liriano, Ewa A. Bienkiewicz, Brian G. Miller
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12052869.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

General Screening of Surface Alloys for Catalysis

, Authors: Matthew Montemore, Chukwudi F. Nwaokorie, Gbolade O. Kayode
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.11704920.v3
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Dinuclear Complexes of Flexidentate Pyridine-Substituted Formazanate Ligands

, Authors: Ge Mu, Thomas Teets
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12077586.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

On the Basis Set Selection for Calculations of Core-Level States: Different Strategies to Balance Cost and Accuracy

, Authors: Ronit Sarangi, Marta L. Vidal, Sonia Coriani, Anna Krylov
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12079587.v1
 
Category: Catalysis
,
Working Paper
, Title:

Catalyst Deactivation Processes During 1-Hexene Polymerization

, Authors: Anuj Joshi, Harmen S. Zijlstra, Scott Collins, J Scott McIndoe
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12081768.v1
 
Category: Earth, Space, and Environmental Chemistry
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Working Paper
, Title:

Factorial Design of Experiments for Optimization of Photocatalytic Degradation of Tartrazine by Zinc Oxide (ZnO) Nanorods with Different Aspect Ratios

, Authors: Andrew Skinner, Anthony DiBernardo, Arvid Masud, Nirupam Aich, Alexandre Pinto
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12083202.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

A NOVEL COMPUTATIONALLY DESIGNED DRUG TO TREAT THE COVID -19 PANDEMIC

, Authors: Chikoo Cherian
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12056154.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies

, Authors: Sumit Kumar, Prem Prakash Sharma, Uma Shankar, Dhruv Kumar, Sanjeev K Joshi, Lindomar Pena, Ravi Durvasula, Amit Kumar, Prakasha Kempaiah, Poonam ., Brijesh Rathi
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12083004.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Natural Product Compounds in Alpinia officinarum and Ginger are Potent SARS-CoV-2 Papain-like Protease Inhibitors

, Authors: Dibakar Goswami, Mukesh Kumar, Sunil K. Ghosh, Amit Das
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12071997.v1
 
Category: Chemical Engineering and Industrial Chemistry
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Working Paper
, Title:

Contribution to the Improvement of an Oral Formulation of Niclosamide, an Antihelmintic Drug Candidate for Repurposing in SARS-CoV-2 and Other Viruses

, Authors: Eduardo José Barbosa, Mariana Ribeiro Gubitoso, Nádia Araci Bou-Chacra, Stephen R. Byrn, Flavio M. S. Carvalho, Gabriel Lima Barros de Araujo
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12056187.v1
 
Category: Catalysis
,
Working Paper
, Title:

Enhancing a De Novo Enzyme Activity by Computationally-Focused, Ultra-Low-Throughput Sequence Screening

, Authors: Valeria A. Risso, Adrian Romero-Rivera, Luis I. Gutierrez-Rus, Mariano Ortega-Muñoz, Francisco Santoyo-Gonzalez, José A. Gavira, Jose Manuel Sanchez Ruiz, Shina Caroline Lynn Kamerlin
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.11749854.v2
 
Category: Materials Science
,
Working Paper
, Title:

Non-Proteinaceous Complexes III and IV Mimicking Electron Transfer in the Mitochondrial Respiratory Chain

, Authors: Iago Modenez, Lucyano Macedo, Antonio F. A. A. Melo, Andressa R. Pereira, Osvaldo Novais Oliveira Junior, Frank Crespilho
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12084006.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Elucidating Biophysical Basis of Binding of Inhibitors to SARS-CoV-2 Main Protease by Using Molecular Dynamics Simulations and Free Energy Calculations

, Authors: Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Parimal Kar
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12084207.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Compilation of Potential Protein Targets for SARS-CoV-2: Preparation of Homology Model and Active Site Determination for Future Rational Antiviral Design

, Authors: Sourav Pal, Dr. Arindam Talukdar
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12084468.v1
 
Category: Catalysis
,
Working Paper
, Title:

Kinetic Study of Disulfonimide Catalyzed Cyanosilylation of Aldehyde Using a Method of Progress Rates

, Authors: Zhipeng Zhang, Martin Klussmann, Benjamin List
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12084768.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Controlling Intramolecular Interactions in the Design of Selective, High-Affinity, Ligands for the CREBBP Bromodomain

, Authors: Michael Brand, James Clayton, Mustafa Moroglu, Matthias Schiedel, Sarah Picaud, Joseph Bluck, Anna Skwarska, Anthony Chan, Corentine Laurin, Amy Scorah, Larissa See, Timothy Rooney, Oleg Fedorov, Gabriella Perell, Prakriti Kalra, Wilian Cortopassi, Kirsten Christensen, Richard Cooper, Robert Paton, William Pomerantz, Philip Biggin, Ester M. Hammond, Panagis Filippakopoulos, Stuart Conway
Version undefined posted 06 April 2020
Posted
Apr 06, 2020
10.26434/chemrxiv.12081999.v1
 
Category: Materials Science
,
Working Paper
, Title:

Reaction Mechanism of the Metal Precursor Pulse in Plasma-Enhanced Atomic Layer Deposition of Cobalt and the Role of Surface Facet

, Authors: Ji Liu, hongliang lu, david wei zhang, Michael Nolan
Version undefined posted 07 April 2020
Posted
Apr 07, 2020
10.26434/chemrxiv.11396904.v2
 
Category: Catalysis
,
Working Paper
, Title:

Stereoselective Synthesis of Unnatural α-Amino Acids through Photoredox Catalysis

, Authors: Andrey Shatskiy, Anton Axelsson, Björn Blomkvist, Jian-Quan Liu, Peter Dinér, Markus Kärkäs
Version undefined posted 07 April 2020
Posted
Apr 07, 2020
10.26434/chemrxiv.12084672.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Anions Enhance Rare Earth Adsorption at Negatively Charged Surfaces

, Authors: Srikanth Nayak, Kaitlin Lovering, Wei Bu, Ahmet Uysal
Version undefined posted 07 April 2020
Posted
Apr 07, 2020
10.26434/chemrxiv.12085062.v1
 
Category: Catalysis
,
Working Paper
, Title:

Natural Heterogeneous Catalysis with Immobilised Oxidase Biocatalysts

, Authors: Ashley P. Mattey, Jack J. sangster, Christopher Baldwin, Jeremy I. Ramsden, William R. Birmingham, Rachel S. Heath, antonio angelastro, Nicholas J. Turner, Sebastian Cosgrove, Sabine Flitsch
Version undefined posted 07 April 2020
Posted
Apr 07, 2020
10.26434/chemrxiv.12085791.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Photocatalytic N-Heteroarylation of Aldehydes via Formyl C‒ H Activation

, Authors: Hiromu Fuse, Harunobu Mitsunuma, Motomu Kanai
Version undefined posted 07 April 2020
Posted
Apr 07, 2020
10.26434/chemrxiv.12085875.v1
 
Category: Catalysis
,
Working Paper
, Title:

Pushing the Limits of Precious Metal Atom Economy for Three-Way-Catalysts (TWC): Thermally Stable and Highly Active Single Rh Atom Catalysts (Rh1/ceria) Under Both Dry and Industrially Relevant Conditions for NO Abatement

, Authors: Konstantin Khivantsev, Carlos Garcia Vargas, Jinshu Tian, Libor Kovarik, Nicholas R. Jaegers, János Szanyi, Yong Wang
Version undefined posted 07 April 2020
Posted
Apr 07, 2020
10.26434/chemrxiv.12086004.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Interaction of Hydrogen with Actinide Dioxide (011) Surfaces

, Authors: James Pegg, Ashley E. Shields, Mark T. Storr, David Scanlon, Nora De Leeuw
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.9780596.v2
 
Category: Materials Science
,
Working Paper
, Title:

Ultralight Covalent Organic Framework/graphene Aerogels with Hierarchical Porosity

, Authors: Changxia Li, Jin Yang, Pradip Pachfule, Shuang Li, Meng-Yang Ye, Johannes Schmidt, Arne Thomas
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12088935.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Signal Amplification by Reversible Exchange for COVID-19 Antiviral Drug Candidates

, Authors: HyeJin Jeong, Sein Min, Heelim Chae, Sara Kim, Gunwoo Lee, Sung Keon Namgoong, Keunhong Jeong
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12055395.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Stimuli-Induced Non-Equilibrium Phase Transitions in Polyelectrolytesurfactant Complex Coacervates

, Authors: Chloé Seyrig, Patrick Le Griel, Nathan Cowieson, Javier PErez, Niki Baccile
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12058872.v1
 
Category: Materials Science
,
Working Paper
, Title:

Using Deep Eutectic Solvent for Conjugation of Fe3O4 Nanoparticles onto Graphene Oxide for Water Pollutant Removal

, Authors: Novin Mehrabi, Umar Faruq Abdul Haq, M. Toufiq Reza, Nirupam Aich
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12089658.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Direct Operando Observation of Double Layer Charging and Early SEI Formation in Li-Ion Battery Electrolytes

, Authors: Nataliia Mozhzhukhina, Eibar Flores, Robin Lundström, Ville Nystrom, Paul Kitz, Kristina Edström, Erik Berg
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12091713.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Discovering new lipidomic features using cell type specific fluorophore expression to provide spatial and biological specificity in a multimodal workflow with MALDI IMS

, Authors: Marissa A. Jones, Sung Hoon Cho, Nathan Heath Patterson, Raf Van de Plas, Jeffrey Spraggins, Mark R. Boothby, Richard M. Caprioli
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.9853856.v4
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Computational Target-Based Drug Repurposing of Elbasvir, an Antiviral Drug Predicted to Bind Multiple SARS-CoV-2 Proteins

, Authors: Meenakshisundaram Balasubramaniam, Robert Shmookler Reis
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12084822.v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Plasmonic-Based Impedance Microspectroscopy of Optically Heterogeneous Samples

, Authors: Sidahmed Abayzeed
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12090954.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Highly-Excited State Properties of Cumulenone Chlorides in the Vacuum-Ultraviolet

, Authors: Quynh Nguyen, William Peters, Ryan Fortenberry
Version undefined posted 08 April 2020
Posted
Apr 08, 2020
10.26434/chemrxiv.12092265.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Identification of Potential Inhibitors of SARS-CoV-2 Main Protease via a Rapid In-Silico Drug Repurposing Approach

, Authors: Cesar Mendoza-Martinez, Alejandro Rodriguez-Lezama
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12085083.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

BCL::Conf – Improved Open-Source Knowledge-Based Conformation Sampling using the Crystallographic Open Database

, Authors: Jeffrey Mendenhall, Benjamin Brown, Sandeepkumar Kothiwale, Jens Meiler
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12085521.v1
 
Category: Materials Science
,
Working Paper
, Title:

Synthesis of Clustered Mn3O4 Nanoparticles through a Polymer Surfactant Mediated Route on Few-Layer Graphene Nanoplatelet Surface and its Application for Electrochemical Energy Storage: Lithium-ion Battery Anode

, Authors: Debkumar Saha, Lawrence T. Drzal
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12086493.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Computational Search for Potential COVID-19 Drugs from FDA-Approved Drugs and Small Molecules of Natural Origin Identifies Several Anti-Virals and Plant Products

, Authors: Abhishek Sharma, Vikas Tiwari, Ramanathan Sowdhamini
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12091356.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Radical Functionalization of Thioglycosides in Aqueous Medium

, Authors: Sarbjeet Kaur, dominic luciano, gaoyuan zhao, Ting Wang
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12093777.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Potential COVID-19 Protease Inhibitors: Repurposing FDAapproved Drugs

, Authors: Valentina Kouznetsova, David Huang, Igor F. Tsigelny
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12093900.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Synthesis and Characterization of Novel Atypical Sphingoid Bases

, Authors: Essa M. Saied, Christoph Arenz
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12094041.v1
 
Category: Chemical Education
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Working Paper
, Title:

Reaction Extent and Mass Conservation(s)

, Authors: Diego Raposo
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12084813.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthetic Elaboration of Native DNA by RASS (SENDR)

, Authors: Dillon T. Flood, Kyle W. Knouse, Julien C. Vantourout, Brittany Sanchez, Emily J. Sturgell, Jason Chen, Phil Baran, Philip Dawson
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12094053.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Ultrahigh-Throughput ESI-MS: Sampling Pushed to Six Samples per Second by Acoustic Ejection Mass Spectrometry

, Authors: Tim Häbe, Chang Liu, Tom Covey, Roman P. Simon, Wolfgang Reindl, Frank Büttner, Martin Winter, Daniel Bischoff, Andreas Luippold, Frank Runge
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12093918.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Targeting SARS-CoV-2 Spike Protein of COVID-19 with Naturally Occurring Phytochemicals: An in Silco Study for Drug Development

, Authors: Jitendra Subhash Rane, Aroni Chatterjee, Abhijeet Kumar, Shashikant Ray
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12094203.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Interfacial Acidity on Oxide Surfaces: A Scaling Paradigm and the Role of the Hydrogen Bond

, Authors: Robert Chapleski, Azhad U. Chowdhury, Kyle Mason, Robert Sacci, Benjamin Doughty, Sharani Roy
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12094218.v1
 
Category: Catalysis
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Working Paper
, Title:

Controlling Cyclization Pathways in Palladium(II)-Catalyzed Intramolecular Alkene Hydrofunctionalization via Substrate Directivity

, Authors: Xin Wang, Zi-Qi Li, Binh Khanh Mai, John Gurak, Jessica Xu, Van Tran, Zhen Liu, Zhonglin Liu, Kin Yang, Rong Xiang, Peng Liu, Keary Engle
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12090402.v1
 
Category: Catalysis
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Working Paper
, Title:

Water Splitting Mediated by an Electrocatalytically Driven Cyclic Process Involving Iron Oxide Species

, Authors: Marten Huck, Lisa Ring, Karsten Küpper, Johann P. Klare, Diemo Daum, Helmut Schäfer
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12095907.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Autonomous Titration for Chemistry Classrooms: Preparing Students for Digitized Chemistry Laboratories

, Authors: Florian Häse, Teresa Tamayo-Mendoza, Carmen Boixo, Jonathan Romero, Loic Roch, Alan Aspuru-Guzik
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12097908.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

A Pseudo Five-Fold Symmetrical Ligand Drives Geometric Frustration in Porous Metal-Organic and Hydrogen Bonded Frameworks

, Authors: Frederik Haase, Gavin Craig, Mickaele Bonneau, kunihisa sugimoto, Shuhei Furukawa
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12098142.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Complex Formation with the Iodide Electrolyte Influences Electron Dynamics in Dye-Sensitized Solar Cells

, Authors: Ahmed El-Zohry, Burkhard Zietz
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12098325.v1
 
Category: Materials Science
,
Working Paper
, Title:

Synthesis of Multilamellar Walls Vesicles (MLWV) Polyelectrolyte Surfactant Complexes (PESCs) from pH-Stimulated Phase Transition Using Microbial Biosurfactants

, Authors: Chloé Seyrig, Patrick Le Griel, Nathan Cowieson, Javier PErez, Niki Baccile
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12058929.v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

In-silico Studies of Antimalarial-agent Artemisinin and Derivatives Portray More Potent Binding to Lys353 and Lys31-Binding Hotspots of SARS-CoV-2 Spike Protein than Hydroxychloroquine: Potential Repurposing of Artenimol for COVID-19.

, Authors: Moussa SEHAILIA, Smain chemat
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12098652.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

A Paramagnetic NMR Spectroscopy Toolbox for the Characterisation of Paramagnetic/Spin-Crossover Coordination Complexes and Metal-Organic Cages

, Authors: Marc Lehr, Tobias Paschelke, Eicke Trumpf, Anna-Marlene Vogt, Christian Näther, Frank Sönnichsen, Anna McConnell
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12098670.v1
 
Category: Energy
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Working Paper
, Title:

Caffeinated Interfaces Enhance Alkaline Hydrogen Electrocatalysis

, Authors: Saad Intikhab, Luis Rebollar, Yawei Li, Rahul Pai, Vibha Kalra, Maureen H. Tang, Joshua Snyder
Version undefined posted 09 April 2020
Posted
Apr 09, 2020
10.26434/chemrxiv.12100599.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Discovery of Potent Covid-19 Main Protease Inhibitors Using Machine Learning Based Virtual Screening Strategy

, Authors: Muthu Kumar T, Rohini K, Nivya James, Shanthi V, Ramanathan Karuppasamy
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12090423.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

A Modular Programmable Inorganic Cluster Discovery Robot for the Discovery and Synthesis of Polyoxometalates

, Authors: Daniel Salley, Graham Keenan, De-Liang Long, Nicola Bell, Leroy Cronin
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12100638.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Generation and Reactivity of a NiIII2(μ-1,2-peroxo) Complex

, Authors: Norman Zhao, Alexander S. Filatov, Jiaze Xie, Ethan A. Hill, John Anderson
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12091962.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

The Conserved Positive Charge in the Transmembrane Domain of HIV Gp41 Contributes to Its Intrinsic Preference for Trimerization

, Authors: Timothy Reichart, Daniel Leaman, Daniel Sands, Michael Zwick, Philip Dawson
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.9992369.v2
 
Category: Catalysis
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Working Paper
, Title:

Discovery of Acid-Stable Oxygen Evolution Catalysts : High-throughput Computational Screening of Equimolar Bimetallic Oxides

, Authors: Seoin Back, Kevin Tran, Zachary Ulissi
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12101439.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Supercomputer-aided Drug Repositioning at Scale: Virtual Screening for SARS-CoV-2 Protease Inhibitor

, Authors: Sangjae Seo, Jung Woo Park, Dosik An, Junwon Yoon, Hyojung Paik, Soonwook Hwang
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12101457.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Automated Extraction of Chemical Synthesis Actions from Experimental Procedures

, Authors: Alain C. Vaucher, Federico Zipoli, Joppe Geluykens, Vishnu H Nair, Philippe Schwaller, Teodoro Laino
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.11448177.v2
 
Category: Catalysis
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Working Paper
, Title:

An Enantioconvergent Benzylic Hydroxylation Using a Chiral Aryl Iodide in a Dual Activation Mode

, Authors: Ayham Abazid, Nils Clamor, Boris Nachtsheim
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12103140.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Enantioenriched Quaternary α-Pentafluoroethyl Derivatives of Alkyl 1-Indanone-2-Carboxylates

, Authors: Albert Granados, Anna Balleteros, Adelina Vallribera
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12102678.v1
 
Category: Chemical Education
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Working Paper
, Title:

Efficacy of an Asynchronous Online Preparatory Chemistry Course: A Post-hoc Analysis

, Authors: Jack Eichler, Grace Henbest, Kiana Mortezaei, Teresa Alvelais, Courtney Murphy
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12089415.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Drug Repurposing to Identify Therapeutics Against COVID 19 with SARS-Cov-2 Spike Glycoprotein and Main Protease as Targets: An in Silico Study

, Authors: arun kumar, Sharanya C.S, Abhithaj J, Sadasivan C
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12090408.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Computational Evaluation of the COVID-19 3c-like Protease Inhibition Mechanism, and Drug Repurposing Screening

, Authors: Hao Liu, Tao Jiang, Wenlang Liu, Zheng Zheng
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12090426.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Destabilizing the Structural Integrity of SARS-CoV2 Receptor Proteins by Curcumin Along with Hydroxychloroquine: An Insilco Approach for a Combination Therapy

, Authors: Akhileshwar Srivastava, Divya Singh
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12090438.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Identification of Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

, Authors: Lovika Mittal, Anita Kumari, Mitul Srivastava, Mrityunjay Singh, Shailendra Asthana
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12086565.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Mechanism of Iodine(III)-Promoted Oxidative Dearomatizing Hydroxylation of Phenols: Evidence for Radical-Chain Pathway

, Authors: Karol Kraszewski, Ireneusz Tomczyk, Aneta Drabinska, Krzysztof Bienkowski, Renata Solarska, Marcin Kalek
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12102771.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

The Substrate Import Mechanism of the Human Serotonin Transporter

, Authors: Matthew Chan, Balaji Selvam, Heather Young, Erik Procko, Diwakar Shukla
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.9922301.v2
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

A Simple Molecular Orbital Picture of RIXS Distilled from Many-Body Damped Response Theory

, Authors: Kaushik Nanda, Anna I. Krylov
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12102456.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Multidisciplinary Preclinical Investigations on Three Oxamniquine Analogues as Novel Treatment Options for Schistosomiasis

, Authors: Valentin Buchter, Yih Ching Ong, François Mouvet, Abdallah Ladaycia, Elise Lepeltier, Ursula Rothlisberger, Jennifer Keiser, Gilles Gasser
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12102894.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Formation Mechanism of Sub-Micron Pharmaceutical Composite Particles derived from Far- and Near Field Raman microscopy

, Authors: Jakob Hübner, Jean-Baptiste Coty, Yan Busby, Denis Spitzer
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12098478.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Monte Carlo Study of a Liquid-Liquid Phase Transition Using a Modified Gibbs Ensemble

, Authors: Douglas Barlow
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12103341.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Droplet Shape Control Using Microfluidics and Designer Biosurfactants

, Authors: Yuan Gao, Chun-Xia Zhao, Frank Sainsbury
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12103284.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

A Chemographic Audit of Anti-Coronavirus Structure-Activity Information from Public Databases (ChEMBL)

, Authors: Dragos Horvath, Alexey Orlov, Dmitry Osolodkin, Gilles Marcou, Aydar A. Ishmukhametov, Alexandre Varnek
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12104010.v1
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

(2-Fluoroallyl)palladium Complexes as Intermediates in Pd-Catalyzed Tsuji-Trost 2-Fluoroallylations: Synthesis and Reactivity

, Authors: Angelina Yu. Bobrova, Maxim Novikov, Igor A. Mezentsev, Yury V. Tomilov
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12107010.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Targeted Degradation of Oncogenic KRASG12C by VHL-recruiting PROTACs

, Authors: Michael J. Bond, Ling Chu, Dhanusha A. Nalawansha, Ke Li, Craig Crews
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12091176.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Activation of a Metal-Halogen Bond by Halogen Bonding

, Authors: Stefan Huber, Julian Wolf, Florian Huber, Nikita Erochok, Flemming Heinen, Vincent Guerin, Claude Legault, Stefan Kirsch
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12107832.v1
 
Category: Materials Science
,
Working Paper
, Title:

Synthesis and Dual-Mode Electrochromism of Anisotropic Monoclinic Nb12O29 Colloidal Nanoplatelets

, Authors: Hsin-Che Lu, Sandeep Ghosh, Naman Katyal, Graeme Henkelman, Vikram S. Lankanpal, Delia Milliron
Version undefined posted 10 April 2020
Posted
Apr 10, 2020
10.26434/chemrxiv.12108612.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Helical Graphene Nanostructures Embedded with an Azulene Cluster

, Authors: Yousuke Yamaoka, Naoki Ogawa, Hiroshi Takikawa, Ken-ichi Yamada, Kiyosei Takasu
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12108618.v1
 
Category: Catalysis
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Working Paper
, Title:

Sb2S3/TiO2 Heterojunction Photocathodes: Band Alignment and Water Splitting Properties

, Authors: Rajiv Ramanujam Prabhakar, Thomas Moehl, Sebastian Siol, Jihye Suh, David Tilley
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12110208.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

DNA Translocation Through Vertically Stacked 2D Layers of Graphene & Hexagonal Boron Nitride Heterostructure Nanopore

, Authors: Ramkumar Balasubramanian, Sohini Pal, Anjana Rao, Akshay Naik, Banani Chakraborty, Prabal K. Maiti, Manoj Varma
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12103515.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Sonocrystallization as an Efficient Way to Control Size, Morphology and Purity of Coordination Compounds Microcrystallites: Application to Single-Chain Magnets

, Authors: Quentin Evrard, Felix Houard, Carole Daiguebonne, guillaume calvez, yan suffren, olivier guillou, Matteo Mannini, Kevin Bernot
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12104040.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of Quaternary -Amino Esters: A Remarkably Broad Substrate Scope in Aza-Friedel−Crafts Alkylation

, Authors: Stephane Roche, Guangkuan zhao, Shyam Samanta, Jessica Michieletto
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12111309.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Computational Guided Drug Repurposing for Targeting 2'-O-Ribose Methyltransferase of SARS-CoV-2

, Authors: Kedar Sharma, Sudhir Morla, Arun Goyal, Sachin Kumar
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12111138.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Battle Against Coronavirus: Repurposing Old Friends (Food Borne Polyphenols) for New Enemy (COVID-19)

, Authors: sonam bhatia, Sabeena Giri, Arnica F Lal, Shaminder Singh
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12108546.v1
 
Category: Earth, Space, and Environmental Chemistry
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Working Paper
, Title:

Statistical Study of Carbon Intensities in the GOM and PB

, Authors: Ama Motiwala, Dr. Huzeifa Ismail
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12111480.v1
 
Category: Energy
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Working Paper
, Title:

Nanostructured Electrode Enabling Fast and Fully Reversible MnO2-to-Mn2+ Conversion in Mild Buffered Aqueous Electrolytes

, Authors: Mickaël Mateos, Kenneth D. Harris, Benoit Limoges, Véronique Balland
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12111483.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Manuscript-C-dots assembly at interface-041020.pdf

, Authors: Amin Reza Zolghadr, Behnam Rostami
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12114063.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Atomic-Scale Variations of Interfacial Water Structure Driven by Site-Specific Chemistry

, Authors: Elias Nakouzi, Andrew G Stack, S.N. Kerisit, Benjamin A Legg, Christopher J. Mundy, Gregory K. Schenter, Jaehun Chun, James De Yoreo
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12114642.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

α-Methylene-β-Lactone Probe for Measuring Live-Cell Reactions of Small Molecules

, Authors: Lei Wang, Louis Riel, Bekim Bajrami, Bin Deng, Amy Howell, Xudong Yao
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12078582.v2
 
Category: Analytical Chemistry
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Working Paper
, Title:

Mining the NIST Mass Spectral Library Reveals the Extent of Sodium Assisted Inductive Cleavage in Collision-Induced Fragmentation

, Authors: Marcus Ludwig, Corey D. Broeckling, Pieter Dorrestein, Kai Dührkop, Emma Schymanski, Sebastian Boecker, Louis-Felix Nothias
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12114987.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Computational Approach Revealed Potential Affinity of Antiasthmatics Against Receptor Binding Domain of 2019n-Cov Spike Glycoprotein

, Authors: LAMIAE ELKHATTABI, Hicham Charoute, Rachid Saile, Abdelhamid Barakat
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12115638.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Global Search for Structures of Carbon Crystal Under Ultrahigh Pressure

, Authors: Makito Takagi, Satoshi Maeda
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12115581.v1
 
Category: Materials Science
,
Working Paper
, Title:

Сan Plasmon Change Reaction Path? An Unprecedented Regioselective Decomposition of Unsymmetrical Iodonium Salts

, Authors: Elena Miliutina, Olga Guselnikova, Natalia Soldatova, Polina Bainova, Roman Elashnikov, Přemysl Fitl, Theo Kurten, Mekhman Yusubov, Václav Švorčík, Rashid R. Valiev, Mohamed Chehimi, Oleksiy Lyutakov, Pavel Postnikov
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12115317.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Caffeine Alkaline Hydrolysis and in Silico Anticipation Reveal the Origin of Camellimidazoles

, Authors: Pierre Le Pogam, Erwan POUPON, Grégory Genta-Jouve, Jean-François Gallard, Victor Turpin, Adam Skiredj, Karine Leblanc, Mehdi Beniddir
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12110862.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Solvation and Stabilization of Single Strand RNA at the Air/ice Interface Support a Primordial RNA World on Ice

, Authors: Ivan Gladich, Margaret Berrens, Penny Rowe, Rodolfo Pereyra, Steven Neshyba
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12115869.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Data-Driven Approaches Can Overcome Limitations in Multireference Diagnostics

, Authors: Chenru Duan, Fang Liu, Aditya Nandy, Heather Kulik
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12115944.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Generating Ampicillin-Level Antimicrobial Peptides with Activity-Aware Generative Adversarial Networks

, Authors: Andrejs Tucs, Duy Phuoc Tran, Akiko Yumoto, Yoshihiro Ito, Takanori Uzawa, Koji Tsuda
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12116136.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of N-Sulfonylimines Towards Fast Multicomponent Reactions

, Authors: Krupal P. Jethava, Jonathan A Fine, Yingqi Chen, Ahad Hossain, Gaurav Chopra
Version undefined posted 13 April 2020
Posted
Apr 13, 2020
10.26434/chemrxiv.12116163.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

A Disposable Paper-Based Electrochemical Sensor Made of Pencil Graphite and Its Modification with Au for Detection of Glucose in Alkaline Solutions

, Authors: Mustafa Sen
Version undefined posted 14 April 2020
Posted
Apr 14, 2020
10.26434/chemrxiv.12102975.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Favipiravir Tautomerism: A Short Theoretical Report

, Authors: Liudmil Antonov
Version undefined posted 14 April 2020
Posted
Apr 14, 2020
10.26434/chemrxiv.12115620.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in Silico Structure-Based Virtual Screening Approach

, Authors: Shweta Choudhary, Yashpal S. Malik, Shailly Tomar
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.12005988.v2
 
Category: Analytical Chemistry
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Working Paper
, Title:

A Rapid and Quantitative Serum Test for SARS-CoV-2 Antibodies with Portable Surface Plasmon Resonance Sensing

, Authors: Abdelhadi Djaileb, Benjamin Charron, Maryam Hojjat Jodaylami, Vincent Thibault, Julien Coutu, Keisean Stevenson, Simon Forest, Ludovic S. Live, Denis Boudreau, Joelle N. Pelletier, Jean-Francois Masson
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.12118914.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Regio-, Stereo- and Enantioselective α-Addition of Carbonyl Nucleophiles to Allenamides Catalyzed by a Synergistic Copper/Enamine System

, Authors: Rémi Blieck, Sebastien Lemouzy, Marc Taillefer, Florian Monnier
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.11830935.v3
 
Category: Organic Chemistry
,
Working Paper
, Title:

A Computational Study of the Hofmann Elimination Pathway for the MoritaBaylis-Hillman Reaction Under DABCO Catalysis. Participation of a Bridge-Head Ylide

, Authors: Veejendra Yadav
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.12117657.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Gliptin Repurposing for COVID-19

, Authors: Matthew Groves, Alexander Domling, Angel Jonathan Ruiz Moreno, Atilio Reyes Romero, Constantinos Neochoritis, Marco Velasco-Velázquez
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.12110760.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Prediction of T and B Cell Epitopes in the Proteome of SARS-CoV-2 for Potential Use in Diagnostics and Vaccine Design

, Authors: Parvez Slathia, Preeti Sharma,
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.12116943.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Coexistence of Förster and Dexter Energy Transfer Pathways from an Antenna Ligand to Lanthanide Ion in Trivalent Europium Complexes through Phosphine-Oxide Bridges

, Authors: Shiori Miyazaki, Kiyoshi Miyata, Haruna Sakamoto, Fumiya Suzue, Yuichi Kitagawa, Yasuchika Hasegawa, Ken Onda
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.12117024.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Solvent Dependence of Structural Dynamics and Spin-flip Processes in 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (ortho-3CzBN)

, Authors: Masaki Saigo, Kiyoshi Miyata, Hajime Nakanotani, Chihaya Adachi, Ken Onda
Version undefined posted 15 April 2020
Posted
Apr 15, 2020
10.26434/chemrxiv.11798568.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks

, Authors: RUIMIN MA, Yamil J. Colon, Tengfei Luo
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12111552.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the ‘Big Data’ Era

, Authors: Vishal Babu Siramshetty, Dac-Trung Nguyen, Natalia J. Martinez, Anton Simeonov, Noel T. Southall, Alexey Zakharov
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12119040.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Solid-to-Liquid Phase Transition in Polyelectrolyte Complexes

, Authors: Siqi Meng, Jeffrey Ting, Hao Wu, Matthew Tirrell
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12121086.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Isolation and X-ray Crystal Structure of an Electrogenerated TEMPO–N3 Charge-Transfer Complex

, Authors: Hosea Nelson, Juno Siu, Ambarniel Saha, Duilio Cascio, Song-Bai Wu, Chenxi Lu, Jose A. Rodriguez, Kendall N Houk, Song Lin
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12102054.v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

IN Silico Approach of Some Selected Honey Constituents as SARS-CoV-2 Main Protease (COVID-19) Inhibitors

, Authors: Heba Hashem
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12115359.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Optimized Synthesis of 7-Aza-Indazoles by Diels–Alder Cascade and Associated Process Safety

, Authors: Nicolas Brach, Vincent Le Fouler, Vincent Bizet, Marian Lanz, Pascale Hoehn, Fabrice Gallou, Corinne Bailly, Michael Parmentier, Nicolas Blanchard
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12043989.v1
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Fouling Is the Beginning: Upcycling Biopolymer-Fouled Substrates for Fabricating High-Permeance Thin-Film Composite Polyamide Membranes

, Authors: Ruobin Dai, Hongyi Han, Tianlin Wang, Jiayi Li, Chuyang Y. Tang, Zhiwei Wang
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12121896.v1
 
Category: Materials Science
,
Working Paper
, Title:

First Principles Study of Reactions in Alucone Growth: the Role of the Organic Precursor

, Authors: Arbresha Muriqi, Michael Nolan
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12122949.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Hydrolysis of Dimethyl Methylphosphonate (DMMP) in Hot-Compressed Water

, Authors: Brian Pinkard, Shreyas Shetty, John Kramlich, Per G. Reinhall, Igor V. Novosselov
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12121227.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of A Pentaarylcarbazole: Installation of Different Aryl Groups on Benzenoid Moiety

, Authors: Junichiro Yamaguchi, Takashi Asako, Shuhei Tanaka, Eisuke Ota
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12123834.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

DNA Nucleobase Under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets

, Authors: Abderrhamane Semmeq, Michael Badawi, Abdellatif Hasnaoui, Said Ouaskit, Antonio Monari
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12126555.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Self-Assembly of Charged Oligomeric Bilayers at the Aqueous/Organic Interface Regulated by Ion-Pair Associations

, Authors: Graham J. Taylor, Yingdong Luo, Kunlun Hong, Stephen A. Sarles, Robert L. Sacci, Benjamin Doughty, C. Patrick Collier
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12106773.v2
 
Category: Catalysis
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Working Paper
, Title:

Synthesis of Pyrroles Through the CuH-Catalyzed Coupling of Enynes and Nitriles

, Authors: Yujing Zhou, Lin Zhou, Luke T. Jesikiewicz, Peng Liu, Stephen L. Buchwald
Version undefined posted 16 April 2020
Posted
Apr 16, 2020
10.26434/chemrxiv.12118230.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Main Protease Inhibitors and Drug Surface Hotspot for the Treatment of COVID-19: Drug Repurposing and Molecular Docking Approach

, Authors: Mahmudul Hasan, Md Sorwer Alam Parvez, Kazi Faizul Azim, Abdus Shukur Imran, Topu Raihan, Airin Gulshan, Samuel Muhit, Rubaiat Nazneen Akhand, Md Bashir Uddin, Syed Sayeem Uddin Ahmed
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12118857.v1
 
Category: Catalysis
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Working Paper
, Title:

Ab Initio Molecular Dynamics Reveals New Active Sites in Atomically Dispersed Pt1/TiO2 Catalysts

, Authors: Nicholas Humphrey, Selin Bac, Shaama Mallikarjun Sharada
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12130872.v1
 
Category: Catalysis
,
Working Paper
, Title:

Electric-Field Assisted Modulation of Surface Thermochemistry

, Authors: Manish Shetty, Matthew Ardagh, Yutong Pang, Omar Abdelrahman, Paul Dauenhauer
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12127191.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution.

, Authors: Martyna Moskal, Wiktor Beker, Rafał Roszak, Ewa P. Gajewska, Agnieszka Wołos, Karol Molga, Sara Szymkuć, Grzegorz Grynkiewicz, Bartosz Grzybowski
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12084690.v2
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Copper(II) and Zinc(II) Complexes of Mono- and Bis-1,2,3-Triazolesubstituted Heterocyclic Ligands

, Authors: Natalija Pantalon Juraj, Marko Krklec, Tiana Novosel, Berislav Perić, Robert Vianello, Silvana Raić-Malić, Srećko Kirin
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12117558.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Efficient and Sustainable Synthesis of a Potent and Selective 5-HT7 Receptor Antagonist Using a Mechanochemical Approach

, Authors: Vittorio Canale, Valeria Frisi, Xavier Bantreil, Frédéric Lamaty, Paweł Zajdel
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12129390.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Interaction of Hydroxychloroquine with SARS-CoV2 Functional Proteins Using All-atoms Non-equilibrium Alchemical Simulations

, Authors: Piero Procacci, Marina Macchiagodena, Marco Pagliai, Guido Guarnieri, Francesco Iannone
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12129975.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Activation Chemistry Drives the Emergence of Functionalized Protocells

, Authors: Claudia Bonfio, David A. Russell, Nicholas Green, Angelica Mariani, John Sutherland
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12129531.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

An Investigation into the Identification of Potential Inhibitors of SARS-CoV-2 Main Protease Using Molecular Docking Study

, Authors: Sourav Das, Sharat Sarmah, Sona Lyndem, Atanu Singha Roy
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12129513.v1
 
Category: Materials Science
,
Working Paper
, Title:

Self-Adjusting Binding Pockets Enhance H₂ and CH₄ Adsorption in a Uranium-Based Metal–Organic Framework

, Authors: Dominik P. Halter, Ryan A. Klein, Michael A. Boreen, Benjamin A. Trump, Craig M. Brown, Jeffrey R. Long
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12128292.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Disentangling Viral Entry Kinetics Using Lipid Bilayers Coating Silica Nanoparticles

, Authors: Ana M. Villamil Giraldo, Peter Kasson
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12123126.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Dialing in Direct Air Capture of CO2 by Crystal Engineering of Bis-iminoguanidines

, Authors: Radu Custelcean, Neil J. Williams, Xiaoping Wang, Kathleen A. Garrabrant, Halie Martin, Michelle K. Kidder, Alexander Ivanov, Vyacheslav S. Bryantsev
Version undefined posted 17 April 2020
Posted
Apr 17, 2020
10.26434/chemrxiv.12130179.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds

, Authors: André Fischer, Manuel Sellner, Santhosh Neranjan, Markus A. Lill, Martin Smieško
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.11923239.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Energetic Cost for Being “Redox-Site-Rich” in Pseudocapacitive Energy Storage with Nickel – Aluminum Layered Double Hydroxide Materials

, Authors: Xianghui Zhang, Cody B. Cockreham, Esra Yilmaz, Gengnan Li, Nan Li, Su Ha, Liangjie Fu, Jianqing Qi, Hongwu Xu, Di Wu
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.11919804.v2
 
Category: Materials Science
,
Working Paper
, Title:

Pyridine Bridging Diphenylamine-Carbazole with Linking Topology as Rational Hole Transporter for Perovskite Solar Cells Fabrication

, Authors: Peng Huang, Manju -, Samrana Kazim, Gangala Sivakumar, Manuel Salado, Rajneesh Misra, Shahzada Ahmad
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12133203.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of Stereodefined 1,1-Diborylalkenes via Copper-Catalyzed Diboration of Terminal Alkynes

, Authors: Yang Gao, Zhong-Qian Wu, Keary Engle
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12133404.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

In Situ Visualizing the Recognition Between Proteins and Platinum-Damaged DNA in Single-Cells by Correlated Optical and Secondary Ion Mass Spectrometric Imaging

, Authors: Yu Lin, Kui Wu, Feifei Jia, Ling Chen, Zhaoying Wang, Yanyan Zhang, Qun Luo, Suyan Liu, Luyu Qi, Nan Li, Xiaohong Fang, Pu Dong, Fei Gao, Yao Zhao, Fuyi Wang
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.11662335.v3
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Structure–activity Relationships of Glutathione Peroxidase 4 Inhibitor Warheads

, Authors: John Eaton, Laura Furst, Luke Cai, Vasanthi S. Viswanathan, Stuart L. Schreiber
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12133548.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Head-to-head comparison of the penetration efficiency of lipid-based nanoparticles in a 3D tumor spheroid model

, Authors: Maria Niora, Dennis Pedersbæk, Rasmus Mikkel Münter Lassen, Matilda Felicia de Val Weywadt, Thomas Lars Andresen, Jens Bæk Simonsen, Liselotte Jauffred
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12136320.v1
 
Category: Polymer Science
,
Working Paper
, Title:

3D Printing and Growth Induced Bending based on PET-RAFT Polymerization

, Authors: Chris Bainbridge, Kyle Engel, Jianyong Jin
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12135801.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

The Local Environment of Iron Determines the Rupture Force of Rubredoxin and Not Hydrogen Bond Networks

, Authors: Maximilian Scheurer, Andreas Dreuw, Martin Head-Gordon, Tim Stauch
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12136023.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Comparative Docking Analysis of Rational Drugs Against COVID-19 Main Protease

, Authors: LALIT SAMANT, Vyomesh Javle
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12136002.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Network-Based Analysis of Fatal Comorbidities of COVID-19 and Potential Therapeutics

, Authors: Broto Chakrabarty, Dibyajyoti Das, Gopalakrishnan Bulusu, Arijit Roy
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12136470.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Anodic Oxidation of Dithiane Carboxylic Acids: A Rapid, Mild and Practical Way to Access Functionalised Orthoesters

, Authors: Anthony Garcia, Matthew Leech, Alessia Petti, Camille Denis, Iain C. A. Goodall, Adrian Dobbs, Kevin Lam
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12137550.v1
 
Category: Catalysis
,
Working Paper
, Title:

Gold-Catalyzed Spirocyclization Reactions of N-Propargyl Tryptamines and Tryptophans in Aqueous Media

, Authors: Nazarii Sabat, Feryel Soualmia, Pascal Retailleau, Alhosna Benjdia, Olivier Berteau, Xavier Guinchard
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12136782.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Electronic Structure Benchmark Calculations of CO2 Fixing Elementary Chemical Steps in RuBisCO Using the Projector-Based Embedding Approach

, Authors: Oscar A. Douglas-Gallardo, Ian J. Shepherd, Simon Bennie, Kara Ranaghan, Adrian Mulholland, Esteban Vöhringer-Martinez
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12141894.v1
 
Category: Catalysis
,
Working Paper
, Title:

Overcoming Back Electron Transfer Facilitates the Implementation of Electron Donor-Acceptor Complexes in Catalysis

, Authors: Edward McClain, Timothy Monos, Mayuko Mori, Joel Beatty, Corey Stephenson
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12130011.v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

In Vitro-Evolved Peptides Mimic a Binding Motif of the G-Actin-Binding Protein Thymosin-B4 and Serve as Research Tools

, Authors: Raphael Gübeli, Davide Bertoldo, Kenji Shimada, Christian Gerhold, Verena Hurst, Yuichiro Takahashi, Jonas Wilbs, Masahiko Harata, Susan M. Gasser, Christian Heinis
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12136104.v1
 
Category: Energy
,
Working Paper
, Title:

Voltage Relaxation to Detect the Onset of Lithium Plating on Graphite for Fast Charging

, Authors: Zachary M. Konz, Eric J. McShane, Bryan D. McCloskey
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12137817.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Enantioselective Partitioning of Polychlorinated Biphenyls in a HepG2 Cell Culture System: Experimental and Modeling Results

, Authors: Chun-Yun Zhang, Susanne Flor, Gabriele Ludewig, Hans-Joachim Lehmler
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12126684.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Visualizing Semipermeability of Cell Membrane by a pH-responsive Ratiometric AIEgen

, Authors: Yuan Gu, zheng zhao, Guangle Niu, Han Zhang, Yiming Wang, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, Ben Zhong Tang
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12122763.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Kinetic Control over Droplet Ripening in Fuel-Driven Active Emulsions

, Authors: Marta Tena-Solsona, Jacqueline Janssen, Caren Wanzke, Fabian Schnitter, Hansol Park, Benedikt Rieß, Julianne M. Gibbs, Christoph A. Weber, Job Boekhoven
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.9978539.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Amorphous Mixtures of Ice and C60 Fullerene

, Authors: Siriney Halukeerthi, Jacob J. Shephard, Sukhpreet Talewar, John S. O. Evans, Alexander Rosu-Finsen, Christoph Salzmann
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12145899.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

A Dinuclear Copper Based Artificial Metalloenzyme for the Kinetic Resolution of Adrenalin

, Authors: Thibaud Rossel
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12143880.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Ion-Mobility Mass Spectrometry of Glycans and Glycopeptides Using Both Intact and Glycan Sequencing Approaches In Positive Ion Mode Facilitates Glycan Isomer and Glycan Motif Identification

, Authors: Edward Pallister, Matthew Choo, ian walsh, jien nee tai, Shi-Jie Tay, Yuansheng Yang, Say-Kong Ng, Pauline Rudd, Sabine Flitsch, Terry Nguyen-Khuong
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12117243.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Smart Chemiluminescence Probes and Dual-Amplification of Signal for Detection of Amyloid Beta Species in Alzheimer’s Disease Model

, Authors: Jing Yang, Wei Yin, Richard Van, Keyi Yin, Peng Wang, Chao Zheng, Biyue Zhu, Kathleen Ran, Can Zhang, Yihan Shao, Chongzhao Ran
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12142578.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Structure-Based Virtual Screening of a Natural Product Database to Identify Several Possible SARS-CoV-2 Main Protease Inhibitors

, Authors: Azhagiya Singam Ettayapuram Ramaprasad, Michele La merrill, Kathleen A. Durkin, Martyn T. Smith
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12143394.v1
 
Category: Energy
,
Working Paper
, Title:

Surface and Catalyst Driven Singlet Oxygen Formation in Li-O2 Cells

, Authors: Aleksej Samojlov, David Schuster, Jürgen Kahr, Stefan Freunberger
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12148446.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Selective C-H Chalcogenation of Thiazoles via Thiazol-2-yl-phosphonium Salts

, Authors: You Zi, Konrad Wagner, Fritz Schömberg, Ivan Vilotijevic
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12026949.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Pentavalent Sialic Acid Conjugates Block Coxsackievirus A24 Variant and Human Adenovirus Type 37 – Viruses That Cause Highly Contagious Eye Infections

, Authors: Emil Johansson, Rémi Caraballo, Nitesh Mistry, Georg Zocher, Weixing Qian, C. David Andersson, Daniel L. Hurdiss, Naresh Chandra, Rebecca Thompson, Lars Frängsmyr, thilo stehle, Niklas Arnberg, Mikael Elofsson
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12145857.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Viribus Unitis: Drug Combinations as a Treatment Against COVID-19

, Authors: Eugene Muratov, Alexey Zakharov
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.12143355.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset

, Authors: Sagi Eppel, Haoping Xu, Mor Bismuth, Alan Aspuru-Guzik
Version undefined posted 20 April 2020
Posted
Apr 20, 2020
10.26434/chemrxiv.11930004.v3
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Enabling Indium Channels for Mass Cytometry by Using Reinforced Cyclambased Chelating Polylysine

, Authors: Laura Grenier, Maryline Beyler, Taunia L. L. Closson, Nick Zabinyakov, Alexandre Bouzekri, Yefeng Zhang, Jothir Mayanantham Pichaandi, Mitchell A. Winnik, Peng Liu, olga ornatsky, Vladimir Baranov, Raphael Tripier
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12151671.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Squeezing Bi: PNP and P2N3 Pincer Complexes of Bismuth(III

, Authors: Marcus B. Kindervater, Toren Hynes, Katherine Marczenko, Saurabh Chitnis
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12149502.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Spheroid-Based Approach to Assess Tissue Relevance of Analysis of Dispersed-Settled Tissue Cells by Cytometry of Reaction Rate Constant

, Authors: Sergey Krylov, Vasilij Koshkin, Mariana Bleker de Oliveira, Chun Peng, Laurie E. Ailles, Geoffrey Liu, Allan Covens
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152016.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Flat Crown Ethers with Planar Tetracoordinate Carbon Atoms

, Authors: Venkatesan S. Thimmakondu, Krishnan Thirumoorthy
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152184.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Selenomethionine as an Expressible Handle for Bioconjugations

, Authors: Dillon T. Flood, Jordi C.J. Hintzen, Chenxi Lu, Philip A. Cistrone, Jason Chen, Takanori Otomo, Philip Dawson
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12016314.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and Mechanistic Interrogation of Ginkgo biloba Chemical Space en route to (–)-Bilobalide

, Authors: Robert Demoret, Meghan Baker, Masaki Ohtawa, Shuming Chen, Ching-Ching Lam, Stefano Forli, Kendall N Houk, Ryan Shenvi
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12132939.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

NWPEsSe: an Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems

, Authors: Jun Zhang, Vassiliki-Alexandra Glezakou, Roger Rousseau, Manh-Thuong Nguyen
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.11302301.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Tri- and Tetrameric Proanthocyanidins with Dentin Bioactivities from Pinus massoniana

, Authors: Bin Zhou, Yvette Alania, Mariana Reis, Rasika Phansalkar, Joo-Won Nam, James McAlpine, Shao-Nong Chen, Ana K. Bedran-Russo, Guido Pauli
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12055389.v1
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Evaluation of Reaction Between 2,4-Thiazolidinedione and P-Methoxybenzaldehyde in Microreactors for Production of Drugs for Treatment of Diabetes Mellitus Type 2

, Authors: Rodrigo Vieira, Harrson Santana, João Silva Jr., Paula Meira, Gabriel Bressan, Osvaldir Pereira Taranto, Paulo Calvo, Mauri Palma
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12142275.v1
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Counter-Currently Operated Reactive Extractor with Additively Manufactured Enzyme Carrier Structure

, Authors: Niclas Büscher, Claas Spille, John Kracht, Giovanni Sayogo, Ayad Dawood, Maria Maiwald, Dirk Herzog, Michael Schlüter, Andreas Liese
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152679.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

‘Ring Breaker’: Neural Network Driven Synthesis Prediction of the Ring System Chemical Space

, Authors: Amol Thakkar, Nidhal Selmi, Jean-Louis Reymond, Ola Engkvist, Esben Jannik Bjerrum
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.9938969.v3
 
Category: Organic Chemistry
,
Working Paper
, Title:

Hydroarylation of N-Allenyl Derivatives Catalyzed by Copper

, Authors: Florian Monnier, Racha Abdine, Lucas Pages, Marc Taillefer
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152631.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A Deep-Learning Approach Toward Rational Molecular Docking Protocol Selection

, Authors: Jose Jimenez-Luna, Alberto Cuzzolin, Giovanni Bolcato, Mattia Sturlese, Stefano Moro
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12155076.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Structural Similarity of SARS-CoV2 Mpro and HCV NS3/4A Proteases Suggests New Approaches for Identifying Existing Drugs Useful as COVID-19 Therapeutics

, Authors: Khushboo Bafna, Robert M. Krug, Gaetano Montelione
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12153615.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Mechanochemical Reactions of Cocrystals: Comparing Theory with Experiment in Making and Breaking Halogen Bonds in Solid State

, Authors: Filip Topic, Mihails Arhangelskis, Poppy Hindle, Ricky Tran, Andrew Morris, Dominik Cincic, Tomislav Friscic
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12153339.v1
 
Category: Materials Science
,
Working Paper
, Title:

MOF-Mediated Synthesis of Supported Fe-doped Pd Nanoparticles under Mild Conditions for Magnetically Recoverable Catalysis

, Authors: Guillermo Minguez Espallargas, Mohanad D. Darawsheh, Dr. Mónica Giménez Marqués, Marcelo E. Domine, Pascual Oña-Burgos, jaime mazario, Debora M. Meira, christian lopes, Jordan Martinez
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12151809.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Novel Structural Mechanism of Glutathione as a Potential Peptide Inhibitor to the Main Protease (Mpro): CoviD-19 Treatment, Molecular Docking and SAR Study

, Authors: Abderahmane LINANI, Khedidja BENAROUS, Mohamed Yousfi
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12153021.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

The Solid-State Emission of Bilirubin

, Authors: Ahmed El-Zohry, Taha Ahmed, Burkhard Zietz
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152979.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Functionalization of Bis-Diazaphospholene P-P Bonds with Diverse Electrophiles

, Authors: Blake S. N. Huchenski, Katherine N. Robertson, Alex Speed
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152835.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethyleneglycol-Based Lithium Electrolytes

, Authors: Bo Qiao, Somesh Mohapatra, Jeffrey Lopez, Graham Leverick, Ryoichi Tatara, Yoshiki Shibuya, Yivan Jiang, Arthur France-Lanord, Jeffrey C. Grossman, Rafael Gomez-Bombarelli, Jeremiah Johnson, Yang Shao-Horn
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152820.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Drug Repurposing of Approved Drugs Elbasvir, Ledipasvir, Paritaprevir, Velpatasvir, Antrafenine and Ergotamine for Combating COVID19

, Authors: Vishal Mevada, Pravin Dudhagara, Himani Gandhi, Nilam Vaghamshi, Urvisha Beladiya, Rajesh Patel
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12115251.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Chemical Space Exploration: How Genetic Algorithms Find the Needle in the Haystack

, Authors: Emilie S. Henault, Maria Harris Rasmussen, Jan H. Jensen
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12152661.v1
 
Category: Materials Science
,
Working Paper
, Title:

HPM-14, a New Germanosilicate Zeolite with Interconnected Extra-Large Pores Plus Odd-Membered and Small Pores

, Authors: Zihao Gao, Jian Li, Cong Lin, Alvaro Mayoral, Junliang Sun, Miguel Camblor
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12155286.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of Tertiary Amines by Direct Brønsted Acid Catalyzed Reductive Amination

, Authors: Thanh Vinh Nguyen, Mohanad A. Hussein, An Huy Dinh, Vien Huynh
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12155394.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Half- Sandwich cyclopentadienylruthenium(II) Complexes: A New Antimalarial Chemotype

, Authors: Sofia Alexandra Milheiro, Joana Gonçalves, Ricardo Lopes, Margarida Madureira, Lis Lobo, Andreia Lopes, Fatima Nogueira, Diana Fontinha, Miguel Prudêncio, Fátima Piedade, Sandra Pinto, Pedro Florindo, Rui Moreira
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12155178.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

A Mechanism of Action for Hydroxychloroquine and Azithromycin to Inhibit Coronavirus Disease COVID-19

, Authors: Charles Schaper
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12148914.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Repurposing FDA-Approved Drugs for COVID-19 Using a Data-Driven Approach

, Authors: Rodrigo R. R. Duarte, Dennis C. Copertino Jr., Luis P. Iñiguez, Jez L. Marston, Douglas F. Nixon, Timothy R. Powell
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12148764.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

A Molecular Logic Gate for the Naked-Eye Detection of Gluthatione or Pyrophosphate with a Nickel Based Bio-Sensor

, Authors: Thibaud Rossel
Version undefined posted 21 April 2020
Posted
Apr 21, 2020
10.26434/chemrxiv.12097824.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

, Authors: Tesia Bobrowski, Vinicius Alves, Cleber C. Melo-Filho, Daniel Korn, Scott S. Auerbach, Charles Schmitt, Eugene Muratov, Alexander Tropsha
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12153594.v1
 
Category: Agriculture and Food Chemistry
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Working Paper
, Title:

Determining the Geographical Origin of Crude Palm Oil with the Combined Use of GC-IMS Fingerprinting and Chemometrics

, Authors: Kirstie Goggin, Emma Brodrick, Alfian Nur Wicaksono, James Covington, Antony N Davies, Denis J. Murphy
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12155499.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Compound Collections at KU 1947-2017: Cheminformatic Analysis and Computational Protein Target Prediction

, Authors: Zachary Pearson, Manvendra Singh, Zarko Boskovic
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12132618.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? An Answer from All-Atoms Simulations

, Authors: Angelo Spinello, Andrea Saltalamacchia, Alessandra Magistrato
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12091260.v3
 
Category: Catalysis
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Working Paper
, Title:

A Droplet Microfluidic Platform for High-Throughput Photochemical Reactions

, Authors: Alexandra Sun, Daniel Steyer, Anthony Allen, Emory Payne, Robert Kennedy, Corey Stephenson
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12123978.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield

, Authors: Andrew T. Turley, Andrew Danos, Antonio Prlj, Andrew P. Monkman, Basile F.E. Curchod, Paul R. McGonigal, Marc Etherington
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12159114.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

An NADH-Inspired Redox Mediator Strategy to Promote Second-Sphere Electron and Proton Transfer for Cooperative Electrochemical CO2 Reduction Catalyzed by Iron Porphyrin

, Authors: Peter T. Smith, Sophia Weng, Christopher Chang
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12159207.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

The Effect of ACE2 Inhibitor MLN-4760 on the Interaction of SARS-CoV-2 Spike Protein with Human ACE2: A Molecular Dynamics Study

, Authors: Babak Nami, Avrin Ghanaeian, Kasra Ghanaeian, Negin Nami
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12159945.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Molecular Docking Studies of N-Acetyl Cysteine, Zinc Acetyl Cysteine and Niclosamide on SARS Cov 2 Protease and Its Comparison with Hydroxychloroquine

, Authors: Roopa Guthappa
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12161493.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Chemical Fueling Enables Molecular Complexification of Assembly-Driven Self-Replicators

, Authors: Gael Schaeffer, Elio Mattia, Omer Markovitch, Kai Liu, Andreas S. Hussain, Jim Ottelé, Ankush Sood, Sijbren Otto
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12162135.v1
 
Category: Materials Science
,
Working Paper
, Title:

Enhancing Photovoltages at p-Type Semiconductors Through a Redox-active Metal-Organic Framework Surface Coating

, Authors: Anna Beiler, Brian McCarthy, Ben A Johnson, Sascha Ott
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12154812.v1
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

A Method for Real Time Detection of Reaction Endpoints Using a Moving Window T-Test of in Situ Time Course Data

, Authors: Elyse N. Towns, John Guo, Alexander O'Brien, Robert W. Bondi
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12163608.v1
 
Category: Materials Science
,
Working Paper
, Title:

Detection of Cardiac Biomarker Troponin (cTnI) with Enhanced Immune Sensitivity using a Single Monoclonal Antibody

, Authors: Anıl Bozdogan, Reham F. El-kased, Vanessa Jungbluth3, Wolfgang Knoll, Jakub Dostalek, Amal Kasry
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12158952.v1
 
Category: Catalysis
,
Working Paper
, Title:

Phosphine Ligand Hemilability as a Route Towards Robust and Efficient Hydrogenation with Mn(I) Complexes

, Authors: Wenjun Yang, Ivan Yu. Chernyshov, Robin K. A. van Schendel, Manuela Weber, Christian Müller, Georgy Filonenko, Evgeny Pidko
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12164262.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Homology Modeling and Docking Studies of TMPRSS2 with Experimentally Known Inhibitors Camostat Mesylate, Nafamostat and Bromhexine Hydrochloride to Control SARS-Coronavirus-2

, Authors: Kailas Sonawane, Sagar S. Barale, Maruti J. Dhanavade, Shailesh R. Waghmare, Naiem H. Nadaf, Subodh A. Kamble, Ali Abdulmawjood Mohammed, Asiya M. Makandar, Prayagraj M. Fandilolu, Ambika S. Dound, Nitin M. Naik
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12162360.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Solid Phase Excitation-Emission Matrix Spectroscopy for In-Situ Chemical Analysis of Combustion Aerosols

, Authors: Gaurav Mahamuni, Jiayang He, Jay Rutherford, Byron Ockerman, Edmund Seto, Gregory V. Korshin, Igor V. Novosselov
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12167865.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

[FeFe]-Hydrogenase Maturation: H-Cluster Assembly Intermediates Tracked by Electron Paramagnetic Resonance, Infrared, and X-Ray Absorption Spectroscopy

, Authors: Brigitta Németh, Moritz Senger, Holly J. Redman, Pierre Ceccaldi, Joan Broderick, Ann Magnuson, Sven T. Stripp, Michael Haumann, Gustav Berggren
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.12168303.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Metabolomics Analysis Reveals Both Plant Variety and Choice of Hormone Treatment Modulate Vinca Alkaloid Production in Catharanthus Roseus.

, Authors: Valerie Fraser, Benjamin Philmus, Molly Megraw
Version undefined posted 22 April 2020
Posted
Apr 22, 2020
10.26434/chemrxiv.11312828.v2
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture

, Authors: Linglan Fang, Jessica Vilas-Boas, sujata chakraborty, zachary potter, Ames Register, Markus Seeliger, Dustin J. Maly
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12148524.v2
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

In Search for Effective and Safe Drugs Against SARS-CoV-2: Part I] Simulated Interactions Between Selected Nutraceuticals, ACE2 Enzyme and S Protein Simple Peptide Sequences

, Authors: M. Sabry Abdel-Mottaleb, Yousra Abdel-Mottaleb
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12155235.v1
 
Category: Catalysis
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Working Paper
, Title:

Unraveling Minimum Active Units and Substrate Activation for Carbon Nitride in Photocatalytic Oxidation Reactions

, Authors: Chaofeng Huang, Yaping Wen, Dandan Dong, Yanfei Shen, Songqin Liu, Haibo Ma, Yuanjian Zhang
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12156018.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Potent and Selective N-Terminal BRD4 Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement

, Authors: Huarui Cui, Anand Divakaran, Anil K. Pandey, Jorden A. Johnson, huda zahid, zachary hoell, mikael ellingson, ke shi, Hideki Aihara, Daniel A. Harki, william pomerantz
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12156747.v1
 
Category: Organometallic Chemistry
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Working Paper
, Title:

Mechanistic Molecular Motion of Transition-Metal Mediated Beta-Hydride Transfer: Quasiclassical Trajectories Reveal Dynamically Ballistic, Dynamically Unrelaxed, Two Step, and Concerted Mechanisms

, Authors: Josh Wheeler, Ryan Carlsen, Daniel Ess
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12156462.v1
 
Category: Energy
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Working Paper
, Title:

Quantification of Inactive Lithium and Solid Electrolyte Interphase (SEI) Species on Graphite Electrodes After Fast Charging

, Authors: Eric McShane, Andrew Colclasure, David Brown, Zachary M. Konz, Kandler Smith, Bryan D. McCloskey
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12159048.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Photoactivatable Surface-Functionalized Diatom Microalgae for Colorectal Cancer Targeted Delivery and Enhanced Cytotoxicity of Anticancer Complexes

, Authors: Joachim Delasoie, Philippe Schiel, Sandra Vojnovic, Jasmina Nikodinovic-Runic, Fabio Zobi
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12168363.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Chemical Reaction Monitoring Using Zero-Field Nuclear Magnetic Resonance Enables Study of Heterogeneous Samples in Metal Containers

, Authors: Dudari B. Burueva, James Eills, John W. Blanchard, Antoine Garcon, Román Picazo Frutos, Kirill V. Kovtunov, Igor Koptyug, Dmitry Budker
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12168312.v1
 
Category: Energy
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Working Paper
, Title:

Fast and Extensive Intercalation Chemistry in Wadsley-Roth Phase Based High-Capacity Electrodes

, Authors: Miao Wang, Zhenpeng Yao, Qianqian Li, Yongfeng Hu, Jing Zhang, Jiujun Zhang, Yufeng Zhao, Alan Aspuru-Guzik
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12170898.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

MOLECULAR DOCKING STUDY TO IDENTIFY POTENTIAL INHIBITOR OF COVID-19 MAIN PROTEASE ENZYME: AN IN-SILICO APPROACH

, Authors: Anurag Agrawal, Nem Kumar Jain, Neeraj Kumar, Giriraj T Kulkarni
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12170904.v1
 
Category: Organometallic Chemistry
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Working Paper
, Title:

Ammonia Formation Catalyzed by Dinitrogen-Bridged Dirhenium Complex Bearing PNP-Pincer Ligands under Mild Reaction Conditions

, Authors: Fanqiang Meng, Shogo Kuriyama, Hiromasa Tanaka, Akihito Egi, Kazunari Yoshizawa, Yoshiaki Nishibayashi
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12162270.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

A Generative Deep Learning Approach for the Discovery of SARS CoV2 Protease Inhibitors

, Authors: Noor Shaker, Mohamed Abou-Zleikha, Mubarak AlAmri, Youcef Mehellou
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12170337.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

, Authors: Ekadashi Pradhan, Jordan N. Bentley, Christopher B. Caputo, Tao Zeng
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12174015.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Ten Facets, One Force Field: The GAL19 Force Field for Water - Noble Metal Interfaces

, Authors: Paul Clabaut, Paul Fleurat-Lessard, Carine Michel, Stephan Steinmann
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.11710137.v2
 
Category: Catalysis
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Working Paper
, Title:

Arene Dearomatization via a Catalytic N-Centered Radical Cascade Reaction

, Authors: Rory McAtee, Efrey Noten, Corey Stephenson
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.9864071.v2
 
Category: Organometallic Chemistry
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Working Paper
, Title:

Synthetic Route of Trithiolato-Bridged Dinuclear Arene Ruthenium(II) Complexes [(η6-P-MeC6H4Pri)2Ru2(μ2-SR)3]+

, Authors: Hedvika Primasova, Silviya Ninova, Ulrich Aschauer, julien Furrer, Mario de Capitani, Jana daepp
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.11590350.v2
 
Category: Energy
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Working Paper
, Title:

Experimental Dataset of Electrochemical Efficiency of a Direct Borohydride Fuel Cell (DBFC) with Pd/C, Pt/C and Pd Decorated Ni–Co/rGO Anode Catalysts

, Authors: Sarmin Hamidi, Sadra Sabouri, Sepand Haghighi, Kasra Askari
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12174438.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Impacts of Ion-Pairing Effects on Linear and Nonlinear Photophysical Properties of Polymethines Dyes

, Authors: Simon Pascal, San-Hui Chi, Joseph W. Perry, Chantal Andraud, Olivier MAURY
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12174744.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Filling Vacancies in a Prussian Blue Analogue Using Mechanochemical Post-Synthetic Modification

, Authors: John Cattermull, Samuel Wheeler, Kevin Hurlbutt, Mauro Pasta, Andrew Goodwin
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12176565.v1
 
Category: Materials Science
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Working Paper
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Dispersion State Phase Diagram of Citrate-Coated Metallic Nanoparticles in Saline Solutions

, Authors: Sebastian Franco Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore, Mauro Moglianetti, Pier Paolo Pompa, Michele Cascella, Marco De Vivo
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12174693.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces

, Authors: Shi Jun Ang, Wujie Wang, Daniel Schwalbe-Koda, Simon Axelrod, Rafael Gomez-Bombarelli
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.11910948.v2
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Scope of phytotherapeutics in targeting ACE2 mediated Host-Viral Interface of SARS‐CoV2 that causes COVID-19

, Authors: Sivaraman Dhanasekaran, Pradeep P.S
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12089730.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Improving Phase-Transfer Catalysis by Enhancing Non-Covalent Interactions

, Authors: Iñigo Iribarren, Cristina Trujillo
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12151707.v1
 
Category: Materials Science
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Working Paper
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Endowing TADF Luminophors with AIE Properties Though Adjusting Flexible Dendrons for Highly Efficient Solution-Processed Nondoped OLEDs.

, Authors: Jingyi Wei, Dan Liu, Wenwen Tian, Wei Jiang, Yueming Sun, zheng zhao, Ben Zhong Tang
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12152520.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

In Silico Molecular Dynamics Docking of Drugs to the Inhibitory Active Site of SARS-CoV-2 Protease and Their Predicted Toxicology and ADME

, Authors: Leif Peterson
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12155523.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Design, Synthesis and in Vivo Evaluation of 3-Arylcoumarin Derivatives of rhenium(I) Tricarbonyl Complexes as Potent Antibacterial Agents Against Methicillin-Resistant Staphylococcus Aureus (MRSA)

, Authors: Sara Nasiri Sovari, Sandra Vojnovic, Sanja Skaro Bogojevic, Aurélien Crochet, Aleksandar Pavic, Jasmina Nikodinovic-Runic, Fabio Zobi
Version undefined posted 23 April 2020
Posted
Apr 23, 2020
10.26434/chemrxiv.12167346.v1
 
Category: Catalysis
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Working Paper
, Title:

Spin-Forbidden Excitation Enables Infrared Photoredox Catalysis

, Authors: Tomislav Rovis, Benjamin D. Ravetz, Nicholas E. S. Tay, Candice Joe, Melda Sezen-Edmonds, Michael A. Schmidt, Yichen Tan, Jacob M. Janey, Martin Eastgate
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12124215.v1
 
Category: Organic Chemistry
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Working Paper
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cgbind: A Python Module and Web App for Automated Metallocage Construction and Host-Guest Characterization

, Authors: Tom A. Young, Razvan Gheorghe, Fernanda Duarte
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12146106.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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On Multicellular Lipid Compartments and Their Electrical Activity

, Authors: Shin-ichiro Nomura, Gen Hayase, Taro Toyota, Richard Mayne, Andrew Adamatzky
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12129114.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Identification of Potent Inhibitors of COVID-19 Main Protease Enzyme by Molecular Docking Study

, Authors: Pooja Singh, Angkita Sharma, Shoma Paul Nandi
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12179202.v1
 
Category: Inorganic Chemistry
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Working Paper
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Three-Phase Electrochemistry of a Highly Lipophilic Neutral Ru-Complex Having a Tridentate Bis(benzimidazolate)pyridine Ligand

, Authors: Vishwanath R.S, Masa-aki Haga, Takumi Watanabe, Emilia Witkowska Nery, Martin Jönsson-Niedziolka
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12170136.v2
 
Category: Organic Chemistry
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Working Paper
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Rare A-Type, New Spiro-Type, and Highly Oligomeric Proanthocyanidins from Pinus massoniana

, Authors: Bin Zhou, Yvette Alania, Mariana C. Reis, James McAlpine, Ana K. Bedran-Russo, Guido Pauli, Shao-Nong Chen
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12168168.v1
 
Category: Catalysis
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Working Paper
, Title:

Artificial, Photoinduced Activation of Nitrogenase Using Directed and Mediated Electron Transfer Processes

, Authors: Matan Moshe Meirovich, Oren Bachar, Omer Yehezkeli
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12180006.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Quasi-Barrierless Submolecular Motion in Mechanically Interlocked Carbon Nanotubes

, Authors: Julia Villalva, Belén Nieto-Ortega, Manuel Melle-Franco, Emilio Pérez
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12136248.v2
 
Category: Chemical Engineering and Industrial Chemistry
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Working Paper
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Behavior of Volatile Compounds in Membrane Distillation: The Case of Carboxylic Acids

, Authors: Abdelaziz Khiter, Béatrice Balannec, Anthony Szymczyk, Omar Arous, Noureddine Nasrallah, Patrick LOULERGUE
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12176865.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Repurposing of SARS Inhibitors Against COVID 19

, Authors: Priyanka Rajbhar, Dikshant Singh, Ruchi Yadav
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12155361.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Protein Degradation Profile Reveals Dynamic Nature of 20S CP Small Molecule Stimulation

, Authors: Rachel A. Coleman, Tiago Jose Paschoal Sobreira, Uma Aryal, Darci Trader
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12180402.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Decoding the Chemical Bond—On the Connection between Probability Density Analysis, QTAIM, and VB Theory

, Authors: Leonard Reuter, Arne Lüchow
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12145413.v2
 
Category: Biological and Medicinal Chemistry
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Working Paper
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In-Silico Identification of Potent Inhibitors of COVID-19 Main Protease (Mpro) and Angiotensin Converting Enzyme 2 (ACE2) from Natural Products: Quercetin, Hispidulin, and Cirsimaritin Exhibited Better Potential Inhibition than Hydroxy-Chloroquine Against COVID-19 Main Protease Active Site and ACE2

, Authors: Sekiou Omar, Ismail Bouziane, Zihad Bouslama, Abdelhak Djemel
Version undefined posted 24 April 2020
Posted
Apr 24, 2020
10.26434/chemrxiv.12181404.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Synthetically Accessible Virtual Inventory (SAVI)

, Authors: Hitesh Patel, Wolf Ihlenfeldt, Philip Judson, Yurii S. Moroz, Yuri Pevzner, Megan Peach, Nadya Tarasova, Marc Nicklaus
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12185559.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Live-Cell Epigenome Manipulation by Synthetic Histone Acylation Catalyst System

, Authors: Yusuke Fujiwara, Yuki Yamanashi, Yuko Sato, Tomoya Kujirai, Hitoshi Kurumizaka, Hiroshi Kimura, Kenzo Yamatsugu, Shigehiro Kawashima, Motomu Kanai
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12186531.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Compaction of RNA Duplexes in the Cell

, Authors: Alberto Collauto, Sören von Bülow, Dnyaneshwar B. Gophane, Subham Saha, Lukas S. Stelzl, Gerhard Hummer, Snorri Th. Sigurdsson, Thomas F. Prisner
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12192732.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Repurposed Single Inhibitor for Serine Protease and Spike Glycoproteins of SAR-CoV-2

, Authors: Hamdullah Khadim Sheikh, Tanzila Arshad, Zainab Sher Mohammad, Iqra Arshad, Mohtasheemul Hassan
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12192660.v1
 
Category: Inorganic Chemistry
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Working Paper
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Towards Self-Doping Multimetal Porphyrin Systems

, Authors: Richard Goddard, Ralf Tonner, Manfred T. Reetz
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12187155.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Whole Genome Sequence Analysis and Homology Modelling of a 3C Like Peptidase and a Non-Structural Protein 3 of the SARS-CoV-2 Shows Protein Ligand Interaction with an Aza-Peptide and a Noncovalent Lead Inhibitor with Possible Antiviral Properties

, Authors: Arun Shanker, Divya Bhanu, Anjani Alluri, Samriddhi Gupta
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.11846943.v9
 
Category: Nanoscience
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Working Paper
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Temporal Fluctuations in Interparticle Interactions Drive the Formation of Transiently Stable Nanoparticle Precipitates

, Authors: Anish Rao, Soumendu Roy, Pramod Pillai
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12187272.v1
 
Category: Organic Chemistry
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Working Paper
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Distinct Helical Molecular Orbitals Through Conformational Lock

, Authors: Ani Ozcelik, Daniel Aranda Ruiz, Sara Gil-Guerrero, Xaquín A. Pola-Otero, Maria Talavera, Liangxuan Wang, Santosh Kumar Behera, Johannes Gierschner, Ángeles Peña-Gallego, Fabrizio Santoro, Raquel Pereira-Cameselle, José Lorenzo Alonso Gómez
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12178266.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

, Authors: Gerardo Raggi, Ignacio Fernández Galván, Christian L. Ritterhoff, Morgane Vacher, Roland Lindh
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.11950491.v3
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

, Authors: Jacob Terence Blaskovits, Maria Fumanal, Sergi Vela, Clemence Corminboeuf
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.11861817.v2
 
Category: Materials Science
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Working Paper
, Title:

2D Magnetic MOFs with Micron-Lateral Size by Liquid Exfoliation

, Authors: Guillermo Minguez Espallargas, Javier López-Cabrelles, Eugenio Coronado, Luis Leon-Alcaide
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12192297.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Design and Synthesis of Amino Acid Derivatives of Substituted Benzimidazoles and Pyrazoles as Selective Sirt1 Inhibitors

, Authors: Nikil Purushotham, Mrityunjay Singh, Bugga Paramesha, Vasantha Kumar, Sharad Wakode, Sanjay K Banerjee, Boja Poojary, Shailendra Asthana
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12196200.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
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Structure Features of Peptide-Type SARS-CoV Main Protease Inhibitors: Quantitative Structure Activity Relationship Study

, Authors: Vijay Masand, Ajaykumar Gandhi, Vesna Rastija, Meghshyam K. Patil
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12196683.v1
 
Category: Organic Chemistry
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Working Paper
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Ortho-Phenylene-Based Macrocyclic Hydrocarbons Assembled Using Olefin Metathesis

, Authors: Viraj kirinda, Briana Schrage, Christopher Ziegler, Scott Hartley
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12194709.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Computational Drug Simulation: A Step to the Possible Cure of COVID-19

, Authors: Kumar Sharp, Dr. Shubhangi Dange
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12129129.v2
 
Category: Materials Science
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Working Paper
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NIR-Responsive Carbon Nitride of Five-Membered Rings (C3N2) for Photoelectrochemical Biosensing

, Authors: Hong Yang, Qing Zhou, Zhengzou Fang, Lufang Zhao, Jin Ma, Wang Li, Songqin Liu, Yanfei Shen, Yuanjian Zhang
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12195429.v1
 
Category: Organic Chemistry
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Working Paper
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Control of Porphyrin Planarity and Aggregation by Covalent Capping: Bissilyloxy Porphyrin Silanes

, Authors: Burhan A. Hussein, Zainab Shakeel, Andrew T. Turley, Aisha N. Bismillah, Kody Wolfstadt, Julia Pia, Melanie Pilkington, Paul R. McGonigal, Marc Adler
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12195084.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
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DFT Benchmark Study of the O--O Bond Dissociation Energy in Peroxides Validated with High-Level Ab-Initio Calculations

, Authors: Danilo Carmona, Pablo Jaque, Esteban Vöhringer-Martinez
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.8217221.v2
 
Category: Physical Chemistry
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Working Paper
, Title:

Anion Charge and Lattice Volume Maps for Searching Lithium Superionic Conductors

, Authors: Zhenming Xu, Hong Zhu
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.11946234.v3
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Reverse Transcription Lesion-Induced DNA Amplification: An Instrument-Free Isothermal Method to Detect RNA

, Authors: Bibi Safeenaz Alladin-Mustan, Jesse Yuzik, Daria Raquel Queiroz de Almeida, Yuning Liu, Yimeng Li, Camilla Mendes, Julianne Gibbs
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12195177.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

The Repository Chemotion: Infrastructure for Sustainable Research in Chemistry

, Authors: Pierre Tremouilhac, Chia-Lin Lin, Pei-Chi Huang, Yu-Chieh Huang, An Nguyen, Nicole Jung, Felix Bach, Robert Ulrich, Bernhard Neumair, Achim Streit, Stefan Bräse
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12195318.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Binding Ability Studies of Arginine, Citrulline, N-Acetyl Citrulline and Thiocitrulline with SARS Cov-2 Main Protease Using Molecular Docking Studies

, Authors: Ramesh Thimmasandra Narayan
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12196833.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Virtual Screening of Curcumin and Its Analogs Against the Spike Surface Glycoprotein of SARS-CoV-2 and SARS-CoV

, Authors: Ashish Patel, Malathi Rajendran, Suresh B Pakala, Ashish Shah, Harnisha Patel, Prashanthi Karyala
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12142383.v2
 
Category: Analytical Chemistry
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Working Paper
, Title:

Simple and Minimally Invasive SID Devices for Native Mass Spectrometry

, Authors: Dalton Snyder, Erin Panczyk, Arpad Somogyi, Desmond Kaplan, Vicki Wysocki
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12145455.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
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Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike Receptor-Binding Domain Bound with ACE2 COVID19 Target Proteins: A Virtual Drug Repurposing Study

, Authors: Serdar Durdagi, Busecan Aksoydan, Berna Dogan, Kader Sahin, Aida Shahraki, Necla Birgül-İyison
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Posted
Apr 27, 2020
10.26434/chemrxiv.12032712.v2
 
Category: Biological and Medicinal Chemistry
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Fragment tailoring strategy to design novel chemical entities as potential binders of novel corona virus main protease

, Authors: Chinmayee Choudhury
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12129201.v2
 
Category: Biological and Medicinal Chemistry
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Identification of a Potent Inhibitor Targeting the Spike Protein of Pandemic Human Coronavirus, SARS-CoV-2 by Computational Methods

, Authors: SRUTHI UNNI, Snehal Aouti, Padmanabhan Balasundaram
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12197934.v1
 
Category: Organic Chemistry
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Working Paper
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Newly Developed Semi-Synthetic Chloroquine and Hydroxychloroquine-Phytochemical Conjugates as Prospective COVID-19 Drug(s)

, Authors: Chita Ranjan Sahoo, Sudhir Kumar Paidesetty, Rabindra Padhy
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12198039.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
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A Graphenic and Potentiometric Sensor for Monitoring the Growth of Bacterial Biofilms

, Authors: Noemi Violeta Poma Sajama, Federico Maria Vivaldi, Andrea Bonini, Pietro Salvo, Bernardo Melai, Daria Bottai, Arianna Tavanti, Fabio Di Francesco
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12197841.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
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Reduced Density Matrix Cumulants: The Combinatorics of Size-Consistency and Generalized Normal Ordering

, Authors: Jonathon Misiewicz, Justin Turney, Henry Schaefer
Version undefined posted 27 April 2020
Posted
Apr 27, 2020
10.26434/chemrxiv.12197886.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
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Targeting Virus-Host Interaction: An in Silico Approach to Develop Promising Inhibitors Against COVID-19

, Authors: Jitendra Subhash Rane, Aroni Chatterjee, Rajni Khan, Abhijeet Kumar, Shashikant Ray
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12198369.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
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Not One, But Five: Virtual Screening-Driven Drug Discovery of SARS-CoV2 Enzyme Inhibitors Targeting Viral Attachment, Replication and Post-Translational Infection Mechanisms

, Authors: Mark Tristan J. Quimque, Kin Israel Notarte, Rey Arturo T. Fernandez, Mark Andrew O. Mendoza, Rhenz Alfred D. Liman, Justin Allen K. Lim, Luis Agustin E. Pilapil, Jehiel Karsten H. Ong, Adriel M. Pastrana, Allan Patrick Macabeo
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12170424.v2
 
Category: Inorganic Chemistry
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Working Paper
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Enantiomeric Excess Dependent Splitting of NMR Signal Through Co-Ligand Dynamic Exchange in a Coordination Complex

, Authors: Kazuyoshi Takimoto, Shinsuke Ishihara, Jan Labuta, Václav Březina, Daniel Payne, Katsuhiko Ariga, Jonathan P. Hill, Masato Sumita, Shigeki Mori, Hisako Sato
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12198945.v1
 
Category: Catalysis
,
Working Paper
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Direct Access to Highly Enantioenriched α-Branched Acrylonitriles through a Formal Cross Rauhut-Currier Reaction

, Authors: Nicolas Duchemin, Martin Cattoen, Oscar Gayraud, Silvia Anselmi, Bilal Siddiq, Roberto Buccafusca, Marc Daumas, Vincent Ferey, Michael Smietana, Stellios Arseniyadis
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12185535.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

The ANI-1ccx and ANI-1x Data Sets, Coupled-Cluster and Density Functional Theory Properties for Molecules

, Authors: Justin S. Smith, Roman Zubatyuk, Benjamin T. Nebgen, Nicholas Lubbers, Kipton Barros, Adrian Roitberg, Olexandr Isayev, Sergei Tretiak
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.10050737.v2
 
Category: Organic Chemistry
,
Working Paper
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Mapping C−H•••M interactions in confined spaces: (α-ICyDᴹᵉ)Au, Ag, Cu complexes reveal “contra-electrostatic H-bonds” masquerading as anagostic interactions

, Authors: Gabriel dos Passos Gomes, Guangcan Xu, Xiaolei Zhu, Lise-Marie Chamoreau, Yongmin Zhang, Olivia Bistri Aslanoff, Sylvain Roland, Igor Alabugin, Matthieu Sollogoub
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12167916.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
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A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra

, Authors: Conor Rankine, Marwah Madkhali, Thomas Penfold
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12200324.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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In Silico Identification of a Potent Arsenic Based Approved Drug Darinaparsin against SARS-CoV-2: Inhibitor of RNA dependent RNA polymerase (RdRp) and Necessary Proteases

, Authors: Trinath Chowdhury, Gourisankar Roymahapatra, Santi M Mandal
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12200495.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Effects of Single α-to-β Residue Replacements on Recognition of an Extended Segment in a Viral Fusion Protein

, Authors: Victor Outlaw, Dale F. Kreitler, Debora Stelitano, Matteo Porotto, Anne Moscona, Samuel H. Gellman
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12202439.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Drug Repurposing Against SARS-CoV-2 Using E-Pharmacophore Based Virtual Screening and Molecular Docking with Main Protease as the Target

, Authors: arun kumar, Sharanya C.S, Abhithaj J, Dileep Francis, Sadasivan C
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12199610.v1
 
Category: Biological and Medicinal Chemistry
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Towards Personalized Medicine: Photoacoustic Imaging of Glutathione Enables Companion Diagnosis and Targeted Treatment of Lung Cancer

, Authors: Melissa Lucero, Jefferson Chan
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.11888214.v2
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Adrenergic Modulation with Photochromic Ligands

, Authors: Davia Prischich, Alexandre M. J. Gomila, Santiago Milla-Navarro, Gemma Sangüesa, Rebeca Diez-Alarcia, Beatrice Preda, Carlo Matera, Montserrat Batlle, Laura Ramírez, Ernest Giralt, Jordi Hernando, Eduard Guasch, J. Javier Meana, Pedro de la Villa, Pau Gorostiza
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Posted
Apr 28, 2020
10.26434/chemrxiv.12203066.v1
 
Category: Organic Chemistry
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Working Paper
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As-Indaceno[3,2,1,8,7,6-Ghijklm]terrylene: A Near-Infrared Absorbing C70-Fragment

, Authors: Yuki Tanaka, Norihito Fukui, Hiroshi Shinokubo
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12185634.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Possibility of HIV-1 Protease Inhibitors-Clinical Trial Drugs as Repurposed Drugs for SARSCoV-2 Main Protease: A Molecular Docking, Molecular Dynamics and Binding Free Energy Simulation Study

, Authors: Ancy Iruthayaraj, Sivanandam Magudeeswaran, Kumaradhas Poomani
Version undefined posted 28 April 2020
Posted
Apr 28, 2020
10.26434/chemrxiv.12204668.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

The Photoisomerization Pathway(s) of Push-Pull Phenylazoheteroarenes

, Authors: Sergi Vela, Clemence Corminboeuf
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12204731.v1
 
Category: Catalysis
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Working Paper
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Electrocatalytic Hydrazine Splitting for Hydrogen Production Using Hydrothermally Synthesized CuCo2S4nanocatalyst

, Authors: Sethulakshmi N, Dr Subramanian Nellaiappan, Dr Sudhanshu Sharma
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Posted
Apr 29, 2020
10.26434/chemrxiv.12204842.v1
 
Category: Analytical Chemistry
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Working Paper
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A Temperature-Sensitive RFID Tag for the Identification of Cold Chain Failures

, Authors: Federico Maria Vivaldi, Bernardo Melai, Andrea Bonini, Noemi Violeta Poma Sajama, Pietro Salvo, Arno Kirchhain, Simone Tintori, Adriano Bigongiari, Fabrizio Bertuccelli, Gabriele Isola, Fabio Di Francesco
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12197784.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
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Interaction of drugs candidates with various SARS-CoV-2 receptors: an in silico study to combat COVID-19

, Authors: Romulo O. Barros, Fabio L. C. C. Junior, Wildrimak S. Pereira, Neiva M. N. Oliveira, Ricardo Ramos
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Posted
Apr 29, 2020
10.26434/chemrxiv.12100968.v4
 
Category: Organic Chemistry
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Working Paper
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Divergent Synthesis of Monosubstituted and Unsymmetrical 3,6- Disubstituted Tetrazines from Carboxylic Ester Precursors

, Authors: Yixin Xie, Yinzhi Fang, Zhen Huang, Amanda Tallon, Christopher W. am Ende, Joseph Fox
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12141189.v1
 
Category: Materials Science
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Working Paper
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Effect of Surface Structure on Peptide Adsorption on Soft Surfaces

, Authors: David Cheung
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.6723929.v2
 
Category: Materials Science
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Working Paper
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Straightforward Preparation of Supramolecular Janus Nanorods by Hydrogen Bonding of End-Functionalized Polymers

, Authors: Shuaiyuan Han, Sandrine Pensec, Cédric Lorthioir, Jacques Jestin, Jean-Michel Guigner, Jutta Rieger, François Stoffelbach, Erwan Nicol, Olivier Colombani, Laurent Bouteiller
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12206384.v1
 
Category: Energy
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Working Paper
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Improved Thermoelectric Performance in N-Type Half-Heusler NbCoSn by Heavy-Element Pt Doping

, Authors: Federico Serrano Sanchez, Ting Luo, Junjie Yu, Wenjie Xie, Gudrun Auffermann, Anke Weidenkaff, Tiejun Zhu, Xinbing Zhao, José A. Alonso, Baptiste Gault, Claudia Felser, Chenguang Fu
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12212942.v1
 
Category: Nanoscience
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Working Paper
, Title:

Bright Blue Emitting Cu-doped Cs2ZnCl4 Colloidal Nanocrystals

, Authors: Dongxu Zhu, Valerio Pinchetti, Rosaria Brescia, Fabrizio Moro, Marco Fanciulli, Aiwei Tang, Ivan Infante, Luca De Trizio, Sergio Brovelli, Liberato Manna
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12205913.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Fmoc-Compatible and External-Thiol-Free Peptide C-Terminus Alkyl Thioester Formation Using Cysteinylprolyl Imide

, Authors: Koki Nakatsu, Masafumi Yanase, Gosuke Hayashi, Akimitsu Okamoto
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12154722.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

In-Silico Drug Repurposing for Targeting SARS-CoV-2 Mpro

, Authors: Shilpa Sharma, Shashank Deep
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12210845.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Application of Life Cycle Assessment and Machine Learning for High-Throughput Screening of Green Chemical Substitutes

, Authors: Xinzhe Zhu, Chi-Hung Ho, Xiaonan Wang
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12210860.v1
 
Category: Polymer Science
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Working Paper
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Tuneable Peptide Cross-Linked Nanogels for Enzyme Triggered Protein Delivery

, Authors: Lucia Massi, Adrian Najer, Robert Chapman, Christopher Spicer, Valeria Nele, Marsilea Booth, James J Doutch, Molly Stevens
Version undefined posted 29 April 2020
Posted
Apr 29, 2020
10.26434/chemrxiv.12212522.v1
 
Category: Energy
,
Working Paper
, Title:

Role of Ion-Selective Membranes in the Carbon Balance for CO2 Electroreduction via Gas Diffusion Electrode Reactor Designs

, Authors: Ming Ma, Sangkuk Kim, Ib Chorkendorff, Brian Seger
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213215.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Catalyst-Control over Sixfold Stereogenicity

, Authors: Xingxing Wu, Reto M. Witzig, Rodolphe Beaud, Christian Fischer, Daniel Häussinger, Christof Sparr
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213362.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Exposure to Mycotoxin-Mixtures via Breast Milk: An Ultra-Sensitive LC-MS/MS Biomonitoring Approach

, Authors: Dominik Braun, Chibundu N. Ezekiel, Doris Marko, Benedikt Warth
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.11763555.v3
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs

, Authors: Miquel Duran-Frigola, Martino Bertoni, Eduardo Pauls, Victor Alcalde, Gemma Turon, Nuria Villegas, Adria Fernandez-Torras, Carles Pons, Lidia Mateo, Oriol Guitart-Pla, Pau Badia-i-Mompel, Aleix Gimeno, Nicolas Soler, Isabelle Brun-Heath, Patrick Aloy
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12178923.v2
 
Category: Energy
,
Working Paper
, Title:

Ether-Functionalized Sulfonium Ionic Liquid and Its Binary Mixtures with Acetonitrile as Electrolyte for Electrochemical Double Layer Capacitors: A Molecular Dynamics Study

, Authors: Abner Sampaio, Leonardo Siqueira
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12192144.v1
 
Category: Energy
,
Working Paper
, Title:

Enhanced Li-Ion Conductivity in Nanosized Li10GeP2S12

, Authors: James Dawson, Saiful Islam
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213431.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

On Failure Modes of Molecule Generators and Optimizers

, Authors: Philipp Renz, Dries Van Rompaey, Jörg Kurt Wegner, Sepp Hochreiter, Günter Klambauer
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213542.v1
 
Category: Materials Science
,
Working Paper
, Title:

On the Use of DFT+U to Describe the Electronic Structure of TiO2 Nanoparticles: (TiO2)35 as a Case Study

, Authors: Angel Morales, Stephen Rhatigan, Michael Nolan, Frances Illas
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213536.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

The Structural Landscape of SARS-CoV-2 Main Protease: Hints for Inhibitor Search.

, Authors: Luigi Leonardo Palese
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12209744.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

BIMP Catalyzed 1,3-Prototropic Shift for the Highly Enantioselective Synthesis of Conjugated Cyclohexenones

, Authors: Jonathan Golec, Eve Carter, John W. Ward, William Whittingham, Luis Simon, Robert Paton, Darren J. Dixon
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213908.v1
 
Category: Materials Science
,
Working Paper
, Title:

Steering Polymer Growth by Molding Nanochannels: 1,5-Hexadiene Polymerization in High Silica Mordenite

, Authors: Marco Fabbiani, Giorgia Confalonieri, sara morandi, Rossella Arletti, Simona Quartieri, Mario Santoro, Francesco Di Renzo, Julien Haines, Riccardo Fantini, gloria tabacchi, Ettore Fois, Giovanna Vezzalini, Gianmario Martra
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12210290.v2
 
Category: Physical Chemistry
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Working Paper
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Photodissociation Dynamics of the Tert-Butyl Perthiyl Radical

, Authors: Bethan Nichols, Erin Sullivan, Daniel Neumark
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12217814.v1
 
Category: Organic Chemistry
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Working Paper
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Chiral Cyclic [n]Spirobifluorenylenes: Carbon Nanorings Consisting of Helically Arranged Quaterphenyl Rods Illustrating Partial Units of Woven Patterns

, Authors: Kaige Zhu,, Kosuke Kamochi, Takuya Kodama, Mamoru Tobisu, Toru Amaya
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12005994.v2
 
Category: Physical Chemistry
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Working Paper
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Assessment of the SM12, SM8, and SMD Solvation Models for Predicting Limiting Activity Coefficients at 298.15 K

, Authors: Sydnee N. Roese, Justin D. Heintz, Cole B. Uzat, Alexa J. Schmidt, Griffin Margulis, Spencer J. Sabatino, Andrew Paluch
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12104058.v2
 
Category: Nanoscience
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Working Paper
, Title:

Nanoparticles’ and atoms’ geometrowave potential quantified and unified properties

, Authors: Zheng Tian
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.9759551.v6
 
Category: Biological and Medicinal Chemistry
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Working Paper
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DpgC-Catalyzed Peroxidation of DPA-CoA: Insights onto the Spin-Forbidden Transition and Charge Transfer Mechanisms

, Authors: Pablo Ortega, Alexandre Zanchet, Cristina Sanz-Sanz, Susana Gómez-Carrasco, Lola González-Sánchez, Pablo G. Jambrina
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12218426.v1
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Responsible Science, Engineering and Education for Water Resource Recovery and Circularity

, Authors: David G. Weissbrodt, Mari K. H. Winkler, George F. Wells
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12218450.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Golgi Recruitment Assay for Visualizing Small-Molecule Ligand–target Engagement in Cells

, Authors: Sachio Suzuki, Masahiro Ikuta, Tatsuyuki Yoshii, Akinobu Nakamura, Keiko Kuwata, Shinya Tsukiji
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12219890.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Tandem Photoredox Catalysis: Enabling Carbonylative Amidation of Aryl and Alkylhalides

, Authors: José Augusto Forni, NENAD MICIC, Timothy Connell, GEETHIKA WERAGODA, Anastasios Polyzos
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12220109.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Effects of Non-Electrostatic Intermolecular Interactions on the Phase Behavior of pH-Sensitive Polyelectrolyte Complexes

, Authors: Lu Li, Samanvaya Srivastava, Siqi Meng, Jeffrey Ting, Matthew Tirrell
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12213509.v2
 
Category: Chemical Education
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Working Paper
, Title:

General Chemistry Without Orbitals

, Authors: Guy Lamoureux, J. F. Ogilvie
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12218276.v1
 
Category: Materials Science
,
Working Paper
, Title:

Liquid Crystal Coacervates Composed of Short Double Stranded DNA and Cationic Peptides

, Authors: Tommaso Fraccia, Tony Z. Jia
Version undefined posted 30 April 2020
Posted
Apr 30, 2020
10.26434/chemrxiv.12220418.v2
 
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