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Archive February 2021

2023
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Category: Polymer Science
,
Working Paper
, Title:

A Natural Rubber Waste Derived Surfactant for High Internal Phase Emulsion Templating of Poly(dicyclopentadiene)

, Authors: Viktor Schallert, Christian Slugovc
Posted
Feb 01, 2021
10.26434/chemrxiv.13660988.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Identification of the Core Chemical Structure in SureChEMBL Patents

, Authors: Maria J. Falaguera, Jordi Mestres
Posted
Feb 01, 2021
10.26434/chemrxiv.13660994.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Energy-Based Automatic Determination of Buffer Region in the Divide-and-Conquer Second-Order Møller-Plesset Perturbation Theory

, Authors: Toshikazu Fujimori, Masato Kobayashi, Tetsuya Taketsugu
Posted
Feb 01, 2021
10.26434/chemrxiv.13064225.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Outstanding Nobility Observed in Cu5 Clusters Reveals the Key Role of Collective Quantum Effects

, Authors: David Buceta, Shahana Huseyinova, Miguel Cuerva, Héctor Lozano, Lisandro J. Giovanetti, José M. Ramallo-López, Patricia López-Caballero, Alexandre Zanchet, Alexander O. Mitrushchenkov, Andreas W. Hauser, Giampaolo Barone, Cristián Huck-Iriart, Carlos Escudero, Juan Carlos Hernández-Garrido, José Calvino, Miguel Lopez-Haro, Maria Pilar de Lara-Castells, Felix G. Requejo, M. Arturo López-Quintela
Posted
Feb 01, 2021
10.26434/chemrxiv.13661081.v1
 
Category: Catalysis
,
Working Paper
, Title:

Microwave-Assisted Synthesis of 3,4-Dihydropyrimidin-2(1H)-Ones Using Acid-Functionalized Mesoporous Polymer

, Authors: Bishwajit Changmai, Kalyani Rajkumari, diparjun das, Samuel Lalthazuala Rokhum
Posted
Feb 01, 2021
10.26434/chemrxiv.13662185.v1
 
Category: Materials Science
,
Working Paper
, Title:

BioAIEgens Derived from Rosin: How Does Molecular Motion Affect Their Photophysical Processes in Solid State?

, Authors: Xu-Min Cai, Yuting Lin, Ying Li, Xinfei Chen, Zaiyu Wang, Xueqian ZHAO, Shenlin Huang, Zheng Zhao, Ben Zhong Tang
Posted
Feb 01, 2021
10.26434/chemrxiv.13661588.v1
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

The Stabilizing Effect of Pre-Equilibria: A Trifluoromethyl Complex as CF2 Reservoir in Catalytic Olefin Difluorocarbenation

, Authors: Thomas Louis-Goff, Huu Vinh Trinh, Eileen Chen, Arnold L. Rheingold, Christian Ehm, Jakub Hyvl
Posted
Feb 01, 2021
10.26434/chemrxiv.13424117.v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Design and Synthesis of 9-Dialkylamino-6-[(1H-1,2,3-triazol-4-yl)methoxy]-9H-purines

, Authors: Álvaro Lorente-Macías, Juan J. Díaz-Mochón, María José Pineda de las Infantas y Villatoro, Asier Unciti-Broceta
Posted
Feb 01, 2021
10.26434/chemrxiv.13664516.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Photo Cleavable Thioacetal Block Copolymers for Controlled Release

, Authors: yongjun men, Tobias Brevé, Huanhuan Liu, Antonia Denkova, Rienk Eelkema
Posted
Feb 01, 2021
10.26434/chemrxiv.13664405.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Phosphonofluoresceins: Synthesis, Spectroscopy, and Applications

, Authors: Joshua Turnbull, Brittany Benlian, Ryan Golden, Evan Miller
Posted
Feb 01, 2021
10.26434/chemrxiv.13665083.v1
 
Category: Agriculture and Food Chemistry
,
Working Paper
, Title:

Engineered Jute Bags for Storing Food Grains within Harrington’s Safe Zone of Seed Moisture Content

, Authors: Kennedy Odokonyero, Himanshu Mishra, Adair Gallo Junior
Posted
Feb 01, 2021
10.26434/chemrxiv.13664576.v1
 
Category: Catalysis
,
Working Paper
, Title:

Electrolytic Conversion of Bicarbonate Solutions to CO at >500 mA cm-2 and 2.2 V

, Authors: Zishuai Zhang, Eric W. Lees, Shaoxuan Ren, Aoxue Huang, Curtis P. Berlinguette
Posted
Feb 01, 2021
10.26434/chemrxiv.13665074.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Detection of Metabolite-Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Towards Interactomics by NMR

, Authors: Ziqing Wang, Veronica Ghini, Pavel Kaderavek, Simone Pisano, Milan Zachrdla, Philippe Pelupessy, Morgan Kazmierczak, Thorsten Marquardsen, Jean-Max Tyburn, Guillaume Bouvignies, Giacomo Parigi, Claudio Luchinat, Fabien Ferrage
Posted
Feb 01, 2021
10.26434/chemrxiv.13603301.v2
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Marrying Wright's Law to Thermodynamics for an Ideal Relative Final Cost-predicting Model of Carbon-fuel Substitution

, Authors: Roland Hermann Pawelke
Posted
Feb 01, 2021
10.26434/chemrxiv.12613049.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

SVECV-f12: benchmark of a composite scheme for accurate and cost effective evaluation of reaction barriers.

, Authors: Oscar Ventura, Martina Kieninger, Aline Katz, Mauricio Vega-Teijido, Marc E. Segovia, Kenneth Irving
Posted
Feb 01, 2021
10.26434/chemrxiv.11770023.v2
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Halogen bonding: an underestimated player in membrane-ligand interactions

, Authors: Rafael Nunes, Diogo Vila Viçosa, Paulo J. Costa
Posted
Feb 01, 2021
10.26434/chemrxiv.11894547.v3
 
Category: Organic Chemistry
,
Working Paper
, Title:

Visualisation of Chemical Shielding Tensors (VIST) to Elucidate Aromaticity and Antiaromaticity

, Authors: Felix Plasser, Florian Glöcklhofer
Posted
Feb 01, 2021
10.26434/chemrxiv.13580885.v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes

, Authors: Christian Dirk Buch, Steen Hansen, Dmitri Mitcov, Camilla Mia Tram, Gary Nichol, Euan Brechin, Stergios Piligkos
Posted
Feb 01, 2021
10.26434/chemrxiv.13667729.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Top-Down Coarse-Grained Framework for Characterizing Mixed Conducting Polymers

, Authors: Aditi Khot, Brett Savoie
Posted
Feb 01, 2021
10.26434/chemrxiv.13668302.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Phytochemical Analysis and Cellular Uptake Study of an Ayurvedic Formulation, Vyaghryadi Kashayam Used in the Clinical Management of COVID-19.

, Authors: Nandakumar G, Deepu Mohanan, Minsha MG, Rammanohar P
Posted
Feb 02, 2021
10.26434/chemrxiv.13664678.v1
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Origin of Protonation Side Products in Pd-Catalyzed Decarboxylative Allylation Reactions: Evidence for In Situ Modification of Triphenylphosphine Ligand

, Authors: Monica A. Gill, Samuel W. J. Shields, Jeff Manthorpe
Posted
Feb 02, 2021
10.26434/chemrxiv.13669235.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A Graph-Convolutional Neural Network for Addressing Small-Scale Reaction Prediction

, Authors: Yejian Wu, Chengyun Zhang, Ling Wang, Hongliang Duan
Posted
Feb 02, 2021
10.26434/chemrxiv.13669214.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Multiwavelets Applied to Metal-Ligand Interactions: Energies Free from Basis Set Errors

, Authors: Anders Brakestad, Peter Wind, Stig Rune Jensen, Luca Frediani, Kathrin Hopmann
Posted
Feb 02, 2021
10.26434/chemrxiv.13669951.v1
 
Category: Catalysis
,
Working Paper
, Title:

Interrogation of O-ATRP Activation Conducted by Singlet and Triplet Excited States of Phenoxazine Photocatalysts

, Authors: Yisrael M. Lattke, Daniel Corbin, Steven M. Sartor, Blaine G. McCarthy, Garret Miyake, Niels Damrauer
Posted
Feb 02, 2021
10.26434/chemrxiv.13670158.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Active Coacervate Droplets Are Protocells That Grow and Resist Ostwald Ripening

, Authors: Karina K. Nakashima, Merlijn H. I. van Haren, Alain A. M. André, Irina Robu, Evan Spruijt
Posted
Feb 02, 2021
10.26434/chemrxiv.13670212.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Correlation Between Yield and Reduced Mass of Raw Materials in Enzymatic Reactions

, Authors: Masatoshi Kawashima
Posted
Feb 02, 2021
10.26434/chemrxiv.13670737.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Controlling Exchange Pathways in Dynamic Supramolecular Polymers by Controlling Defects

, Authors: Anna Lucia de Marco, Davide Bochicchio, Andrea Gardin, Giovanni Doni, Giovanni M. Pavan
Posted
Feb 02, 2021
10.26434/chemrxiv.13655864.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Unassisted Noise-Reduction of Chemical Reactions Data Sets

, Authors: Alessandra Toniato, Philippe Schwaller, Antonio Cardinale, Joppe Geluykens, Teodoro Laino
Posted
Feb 02, 2021
10.26434/chemrxiv.12395120.v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Effect of Surface Roughness on Electrochemical Adsorption/Desorption of Dopamine by Carbonaceous Electrodes

, Authors: Alexander Zestos, Hanning Chen
Posted
Feb 02, 2021
10.26434/chemrxiv.13671613.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Theoretical Atomic Radii of Elements (H-Cm): A Non-Relativistic Study with Gaussian Basis Set Using HF, Post-HF and DFT Methods

, Authors: Krishnamohan Prasanna, Sooraj Sunil, Ajith Kumar, Jamesh Joseph
Posted
Feb 02, 2021
10.26434/chemrxiv.13663337.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Stability of Calcium Ion Battery Electrolytes: Predictions from Ab Initio Molecular Dynamics Simulations

, Authors: Sharma Yamijala, Hyuna Kwon, Juchen Guo, Bryan Wong
Posted
Feb 02, 2021
10.26434/chemrxiv.13674277.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Detection of Nail Oncometabolite SAICAR in Oral Cancer and Its Molecular Interactions with PKM2 Enzyme

, Authors: Rushikesh Patel, Ajay Kumar, Kiran Bharat Lokhande, K. Venkateswara Swamy, Prof. Sachin C Sarode, Prof. Nilesh Kumar Sharma
Posted
Feb 02, 2021
10.26434/chemrxiv.13668728.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Dynamical Decoupling in Water-Glycerol Glasses: A Comparison of Nitroxides, Trityl Radicals and Gadolinium Complexes

, Authors: Janne Soetbeer, Marthe Millen, Konstantin Zouboulis, Miriam Hülsmann, Adelheid Godt, Yevhen Polyhach, Gunnar Jeschke
Posted
Feb 02, 2021
10.26434/chemrxiv.13678447.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Enantioselective Hydroalkylation of α,β-Unsaturated Amides through Reversed syn-Hydrometallation of NiH

, Authors: Fang Zhou, Shaolin Zhu
Posted
Feb 02, 2021
10.26434/chemrxiv.13681579.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Benzylic Alkynylation: Migratory Hydroalkynylation and Enantioselective Hydroalkynylation of Olefins with Bromoalkynes

, Authors: Xiaoli Jiang, Bo Han, Yuhang Xue, Mei Duan, Zhuofan Gui, You Wang, Shaolin Zhu
Posted
Feb 02, 2021
10.26434/chemrxiv.13681432.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

A Mechanistic Analysis of Trimethylanilinium Salt Degradation: Implications for Methylation and Cross-coupling Applications

, Authors: Jack B. Washington, Michele Assante, Chunhui Yan, David McKinney, Vanessa Juba, Andrew Leach, Sharon E. Baillie, Marc Reid
Posted
Feb 02, 2021
10.26434/chemrxiv.13681426.v1
 
Category: Chemical Education
,
Working Paper
, Title:

Using Python and Google Colab to Teach Physical Chemistry During Pandemic

, Authors: Leonardo Baptista
Posted
Feb 02, 2021
10.26434/chemrxiv.13656665.v1
 
Category: Materials Science
,
Working Paper
, Title:

Study on Interface Reaction of BN-Al Composite Materials-ChemRxiv.pdf

, Authors: Chao Wang, Mengge Dong, Lu Zhang, Xiaozhou Cao, Xiangxin Xue
Posted
Feb 03, 2021
10.26434/chemrxiv.13681792.v1
 
Category: Energy
,
Working Paper
, Title:

A Guide to Water Free Lithium Bis(oxalate) Borate (LiBOB)

, Authors: Ceren Zor, Yaprak Subaşı, Durata Haciu, Mehmet Somer, Semih Afyon
Posted
Feb 03, 2021
10.26434/chemrxiv.13681765.v1
 
Category: Materials Science
,
Working Paper
, Title:

Colloidal Lyotropic Liquid Crystalline Phases of Two-Dimensional Nanoparticles of Layered Hybrid Organic-Inorganic Metal Halide Perovskites

, Authors: PEI-XI WANG
Posted
Feb 03, 2021
10.26434/chemrxiv.13692448.v1
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Mechanism of 8-Aminoquinoline Directed Ni-Catalyzed C(sp3)-H Functionalization: Paramagnetic Ni(II) Species, and the Deleterious Effect of Na2CO3 as a Base

, Authors: Junyang Liu, Samuel Johnson
Posted
Feb 03, 2021
10.26434/chemrxiv.13667807.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Comprehensive Characterization of the Self-Folding Cavitand Dynamics

, Authors: Ricard López-Coll, Rubén Álvarez-Yebra, Ferran Feixas, Agustí Lledó
Posted
Feb 03, 2021
10.26434/chemrxiv.13370195.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

A Rearrangement of Allylic Silanols

, Authors: Shyam Sathyamoorthi, Ranjeet Dhokale, Frederick Seidl
Posted
Feb 03, 2021
10.26434/chemrxiv.13679083.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Macroscale Superlubricity and Polymorphism of Long-Chain n-Alcohols

, Authors: Tom Reddyhoff, James Ewen, Pushkar Deshpande, Mark Frogley, Mark D. Welch, Wren Montgomery
Posted
Feb 03, 2021
10.26434/chemrxiv.13347593.v4
 
Category: Physical Chemistry
,
Working Paper
, Title:

Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference-Potential. 4. Adaptive QM/MM

, Authors: Jia-Ning Wang, Wei Liu, Pengfei Li, Yan Mo, Wenxin Hu, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei
Posted
Feb 03, 2021
10.26434/chemrxiv.12764726.v3
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Quasi-3D Modeling of Li-ion Batteries Based on Single 2D Image

, Authors: Yoichi Takagishi, Tatsuya Yamaue, Takumi Yamanaka
Posted
Feb 03, 2021
10.26434/chemrxiv.13671268.v1
 
Category: Nanoscience
,
Working Paper
, Title:

Local, Single-Molecule Oxidative Cleaving of DNA Origami by C60 on an AFM Tip

, Authors: Ankita Ray, Cristiana Passiu, S.N Ramakrishna, Antonella Rossi, Akinori Kuzuya, Nicholas D. Spencer, Yoko Yamakoshi
Posted
Feb 03, 2021
10.26434/chemrxiv.13685917.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Modelling Molecular Emitters in Organic Light Emitting Diodes with the Quantum Mechanical Bespoke Force Field

, Authors: Lupeng Yang, Joshua Horton, Michael C. Payne, Thomas Penfold, Daniel Cole
Posted
Feb 03, 2021
10.26434/chemrxiv.13688050.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

General, Divergent Platform for Diastereoselective Synthesis of trans-Cyclooctenes with High Reactivity and Favorable Physiochemical Properties

, Authors: Jessica E. Pigga, Julia Rosenberger, Andrew Jemas, Samantha Boyd, Olga Dmitrenko, Yixin Xie, Joseph Fox
Posted
Feb 03, 2021
10.26434/chemrxiv.13669160.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Mechanistic Studies of Pd-Catalyzed Fluorination of Cyclic Vinyl Triflates: Evidence for in situ Ligand Modification

, Authors: Yuxuan Ye, Seoung-Tae Kim, Ryan P. King, Mu-Hyun Baik, Stephen L. Buchwald
Posted
Feb 03, 2021
10.26434/chemrxiv.13693540.v1
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Prebiotic Photoredox Synthesis from Carbon Dioxide and Sulfite

, Authors: Ziwei Liu, Long-Fei Wu, Corinna Kufner, Dimitar D. Sasselov, Woodward Fischer, John Sutherland
Posted
Feb 03, 2021
10.26434/chemrxiv.13692772.v1
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Additive-Free Formic Acid Dehydrogenation Catalyzed by a Cobalt Complex

, Authors: Nicolas Lentz, Alicia Aloisi, Pierre Thuéry, Emmanuel Nicolas, Thibault Cantat
Posted
Feb 03, 2021
10.26434/chemrxiv.12901925.v3
 
Category: Catalysis
,
Working Paper
, Title:

Methanol Carbonylation over Acid Mordenite: Insights from Ab Initio Molecular Dynamics and Machine Learning Thermodynamic Perturbation Theory

, Authors: Monika Gešvandtnerová, Dario Rocca, Tomas Bucko
Posted
Feb 03, 2021
10.26434/chemrxiv.13693648.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Folding in Place: Design of β-Strap Motifs to Stabilize the Folding of Hairpins with Long Loops

, Authors: Alexis Richaud, Guangkuan zhao, Stephane Roche, Samir Hobloss
Posted
Feb 03, 2021
10.26434/chemrxiv.12912452.v2
 
Category: Nanoscience
,
Working Paper
, Title:

Laser-induced, Surface Plasmon-enhanced Two-photon Excitation for Efficient Chemical Functionalization of Nanostructured Gold Surfaces

, Authors: Kitjanit Neranon, Mattias Äslund, Max Yan, Hao Xu, Ying Fu, Ingemar Petermann, Per Björk, Olof Ramstrom
Posted
Feb 04, 2021
10.26434/chemrxiv.13695994.v1
 
Category: Energy
,
Working Paper
, Title:

Data-Driven Discovery and Synthesis of High Entropy Alloy Hydrides with Targeted Thermodynamic Stability

, Authors: Matthew Witman, Gustav Ek, Sanliang Ling, Jeffery Chames, Sapan Agarwal, Justin Chuan-Chi Wong, Mark Allendorf, Martin Sahlberg, Vitalie Stavila
Posted
Feb 04, 2021
10.26434/chemrxiv.13697464.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter

, Authors: P Rajamalli, Federica Rizzi, Wenbo Li, Michael Jinks, Abhishek Gupta, Beth Laidlaw, Ifor Samuel, Thomas Penfold, Stephen Goldup, Eli Zysman-Colman
Posted
Feb 04, 2021
10.26434/chemrxiv.13696483.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Geometrical Reorganization of a Methane Cation upon a Sudden Ionization: An Isotope Effect in Electronic Non Equilibrium Quantum Dynamics

, Authors: Cayo Gonçalves, Raphael D. Levine, Francoise Remacle
Posted
Feb 04, 2021
10.26434/chemrxiv.13702456.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Benzyl and Phenyl Glucosinolates Are Metabolized by the Specific Plant Pathogen Alternaria Brassicicola but Not by the Generalist Fungal Pathogens Rhizoctonia Solani or Sclerotinia Sclerotiorum

, Authors: M. Soledade C. Pedras, Chintamani Thapa, Sajjad Hossain
Posted
Feb 04, 2021
10.26434/chemrxiv.13681603.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Cycloparaphenylene-Phenalenyl Radical and Its Dimeric Double Nanohoop

, Authors: Yong Yang, Olivier Blacque, Sota Sato, Michal Juricek
Posted
Feb 04, 2021
10.26434/chemrxiv.13705516.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

A Phage-Compatible Strategy to Access Macrocyclic Peptides Featuring Asymmetric Molecular Scaffolds as Cyclization Units

, Authors: Titia Rixt Oppewal, Johan Hekelaar, Clemens Mayer
Posted
Feb 04, 2021
10.26434/chemrxiv.13705618.v1
 
Category: Catalysis
,
Working Paper
, Title:

Diastereoselective Synthesis of b-Branched a-Amino Acids via Bio-catalytic Dynamic Kinetic Resolution

, Authors: Fuzhuo Li, Li-Cheng Yang, Jingyang Zhang, Jason Chen, Hans Renata
Posted
Feb 04, 2021
10.26434/chemrxiv.13708201.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Preparation of 2-((4-Methylpentan-2-Yl)amino)-5-(Phenylamino)cyclohexa-2,5-Diene-1,4-Dione (6PPD-Quinone), an Environmental Hazard for Salmon

, Authors: Alon Agua, Ryan Stanton, Michael Pirrung
Posted
Feb 04, 2021
10.26434/chemrxiv.13698985.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

A New Azo Dye Based Sensor for Selective and Sensitive Detection of Cu(II), Sn(II), and Al(III) Ions

, Authors: Vivekshinh Kshtriya, Bharti Koshti, Nidhi Gour
Posted
Feb 04, 2021
10.26434/chemrxiv.13708249.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors

, Authors: David Quach, Guanghui Tang, Jothi Anantharajan, Nithya Baburajendran, Anders Poulsen, John Wee, Priya Retna, Rong Li, Boping Liu, Doris Tee, Perlyn Kwek, Joma Joy, Wan-Qi Yang, Chong-Jing Zhang, Klement Foo, Thomas Keller, Shao Yao
Posted
Feb 04, 2021
10.26434/chemrxiv.13710097.v1
 
Category: Nanoscience
,
Working Paper
, Title:

Synthesis and Characterization of Novel Ternary Hybrid Nanoparticles as Thermal Additives in H2O

, Authors: Mohammed Zayan, Abdul Khaliq Rasheed, Akbar John, Shalini Muniandi, leo bay fen, Ahmad Faris
Posted
Feb 04, 2021
10.26434/chemrxiv.13710130.v1
 
Category: Materials Science
,
Working Paper
, Title:

Solid State Quantum Chemistry with ΘΦ (ThetaPhi): Spin-Liquids, Superconductors and Magnetic Superstructures Made Computationally Available

, Authors: Andrei Tchougreeff, Evgeny Plekhanov, Richard Dronskowski
Posted
Feb 05, 2021
10.26434/chemrxiv.13675831.v1
 
Category: Nanoscience
,
Working Paper
, Title:

Mapping Organic Functional Groups at Nanosurfaces Using Colloidal Gold Conjugation

, Authors: Nicolas Debons, Dounia Dems, Thibaud Coradin, Carole Aimé
Posted
Feb 05, 2021
10.26434/chemrxiv.13712311.v1
 
Category: Catalysis
,
Working Paper
, Title:

On the Spatial Design of Co-Fed Amines for Selective Dehydration of Methyl Lactate to Acrylates

, Authors: Yutong Pang, M. Alexander Ardagh, Manish Shetty, Anargyros Chatzidmitriou, Gaurav Kumar, Bess Vlaisavljevich, Paul Dauenhauer
Posted
Feb 05, 2021
10.26434/chemrxiv.13711168.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Transferable Gaussian Attractive Potentials for Organic/oxide Interfaces

, Authors: Jérôme Rey, Sarah Blanck, Paul Clabaut, Sophie Loehlé, Stephan Steinmann, Carine Michel
Posted
Feb 05, 2021
10.26434/chemrxiv.13713328.v1
 
Category: Materials Chemistry
,
Working Paper
, Title:

Cyclotetrabenzoin Acetate: A Macrocyclic Porous Molecular Crystal for CO2 Separations by Pressure Swing Adsorption

, Authors: Yao-Ting Wang, Corie M. McHale, Xiqu Wang, Chung-Kai Chang, Yu-Chun Chuang, Watchareeya Kaveevivitchai, Ognjen Miljanic, Teng-Hao Chen
Posted
Feb 05, 2021
10.26434/chemrxiv.13710046.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Total Synthesis of Ritterazine B

, Authors: Yasuaki Nakayama, Michael Maser, Tatsuya Okita, Anton V. Dubrovskiy, Taryn L. Campbell, Sarah Reisman
Posted
Feb 05, 2021
10.26434/chemrxiv.13623155.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

, Authors: Rory Crean, Michal Biler, Marc van der Kamp, Alvan C. Hengge, Shina Caroline Lynn Kamerlin
Posted
Feb 05, 2021
10.26434/chemrxiv.13217432.v2
 
Category: Catalysis
,
Working Paper
, Title:

Origin of Enhanced Water Oxidation Activity in an Iridium Single Atom Catalyst

, Authors: Xueli Zheng, Jing Tang, Alessandro Gallo, Jose Antonio Garrido Torres, Xiaoyun Yu, Constantine J Athanitis, Emily May Been, Peter Ercius, Haiyan Mao, Sirine C. Fakra, Chengyu Song, Ryan C. Davis, Jeffrey A. Reimer, John Vinson, Michal Bajdich, Yi Cui
Posted
Feb 05, 2021
10.26434/chemrxiv.13708570.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Comparative Study of Deep Generative Models on Chemical Space Coverage (v18)

, Authors: Jie Zhang, Rocío Mercado, Ola Engkvist, Hongming Chen
Posted
Feb 05, 2021
10.26434/chemrxiv.13234289.v3
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Planar Tetracoordinate Carbons in Allene-Type Structures

, Authors: Meng-hui Wang, Mesías Orozco-Ic, luis leyva-parra, William Tiznado, jorge barroso, Yi-hong Ding, Zhong-hua Cui, Gabriel Merino
Posted
Feb 05, 2021
10.26434/chemrxiv.13717819.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

In-Depth Lipidome Annotation Through an Operatively Simple Method Combining Cross-Metathesis Reaction and Tandem Mass Spectrometry

, Authors: Romain MAGNY, Anne Regazzetti, Karima Kessal, Christophe Baudouin, Stéphane Mélik-Parsadaniantz, Olivier Laprévote, Françoise Brignole-Baudouin, nicolas auzeil, Emmanuel Roulland
Posted
Feb 05, 2021
10.26434/chemrxiv.13713487.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Organocatalyzed Photoelectrochemical C−H Amination of Arenes

, Authors: Zhong-Wei Hou, Hong Yan, Jinshuai Song, Hai-Chao Xu
Posted
Feb 05, 2021
10.26434/chemrxiv.13718392.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Multifunctional Inhibitor Mixture for Reducing Bacteria Growth and Corrosion on Marine Grade Steel

, Authors: Rainier Catubig, Agnes Michalczyk, Wayne Neil, Grant McAdam, John Forsyth, Mahdi Ghorbani, Ruhamah Yunis, Leigh Ackland, Maria Forsyth, Anthony Somers
Posted
Feb 05, 2021
10.26434/chemrxiv.13719649.v1
 
Category: Chemical Education
,
Working Paper
, Title:

Getting Students Back on Track: Persistent Effects of Flipping Accelerated Organic Chemistry on Student Achievement, Study Strategies, and Perceptions of Instruction

, Authors: Lynn C. Reimer, Kameryn Denaro, Wenliang He, Renee Link
Posted
Feb 08, 2021
10.26434/chemrxiv.9775910.v4
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

The Impact of NOx Addition on the Ignition Behavior of N-Pentane

, Authors: Mark Edward Fuller, Philipp Morsch, Franklin Goldsmith, Karl Alexander Heufer
Posted
Feb 08, 2021
10.26434/chemrxiv.13720105.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Exploiting Host-Guest Chemistry to Manipulate Magnetic Interactions in Metallosupramolecular M4L6 Tetrahedral Cages

, Authors: Aaron Scott, Julia Vallejo, Arup Sarkar, Lucy Smythe, Emma Regincós Martí, Gary Nichol, Wim Klooster, Simon Coles, Mark Murrie, Rajaraman Gopalan, Stergios Piligkos, Paul J. Lusby, Euan Brechin
Posted
Feb 08, 2021
10.26434/chemrxiv.13720849.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Rationally Designing Simple Rod-Like Amphiphilic NIR-Emissive AIE Probes for Precise In-Vivo Detection of Aβ Fibrils/Plaques at A Super-Early Stage

, Authors: Yipu Wang, Dong Mei, Xinyi Zhang, Da-Hui Qu, Ju Mei, He Tian
Posted
Feb 08, 2021
10.26434/chemrxiv.13699222.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Binding Profile Assessment of N501Y: a More Infectious Mutation on the Receptor Binding Domain of SARS-CoV-2 Spike Protein

, Authors: Yuzhao Zhang, Xibing He, Viet Hoang Man, Jingchen Zhai, Beihong Ji, Junmei Wang
Posted
Feb 08, 2021
10.26434/chemrxiv.13710961.v2
 
Category: Materials Science
,
Working Paper
, Title:

The Thermodynamic Way of Assessing Reversible Metal Hydride Volume Expansion: Getting a Grip on Metal Hydride Formation Overpotential

, Authors: Roland Hermann Pawelke
Posted
Feb 08, 2021
10.26434/chemrxiv.10316819.v4
 
Category: Energy
,
Working Paper
, Title:

Blocking Lithium Dendrite Growth in Solid-State Batteries with an Ultrathin Amorphous Li-La-Zr-O Solid Electrolyte

, Authors: Jordi Sastre, Moritz H. Futscher, Lea Pompizi, Abdessalem Aribia, Agnieszka Priebe, Jan Overbeck, Michael Stiefel, Ayodhya N. Tiwari, Yaroslav E. Romanyuk
Posted
Feb 08, 2021
10.26434/chemrxiv.13331084.v2
 
Category: Energy
,
Working Paper
, Title:

Stabilizing Lithium Metal Anode by Ion Depletion-Induced Phase Transformation in Polymer Electrolytes

, Authors: Qian Cheng, yupeng miao, Zhe Liu, James Borovilas, Hanrui Zhang, Shuwei Liu, Haozhen Wang, Xi Chen, Long-Qing Chen, Wei Min, Yuan Yang
Posted
Feb 08, 2021
10.26434/chemrxiv.13726243.v1
 
Category: Materials Science
,
Working Paper
, Title:

Tailoring Electrostatic Attraction Interactions to Activate Persistent Room Temperature Phosphorescence from Doped Polyacrylonitrile Films

, Authors: Hongzhuo Wu, Deliang Wang, zheng zhao, Dong Wang, Yu Xiong, Ben Zhong Tang
Posted
Feb 08, 2021
10.26434/chemrxiv.13726474.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

A Versatile New Reagent for Nitrosation under Mild Conditions

, Authors: Jordan D. Galloway, Cristian Sarabia, James C. Fettinger, Hrant Hratchian, Ryan Baxter
Posted
Feb 08, 2021
10.26434/chemrxiv.13726513.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Characterization of Excited States in a Multiple-Resonance-Type Thermally Activated Delayed Fluorescence Molecule Using Time-resolved Infrared Spectroscopy

, Authors: Yuushi Shimoda, Masaki Saigo, Tomohiro Ryu, Takumi Ehara, Kiyoshi Miyata, Ken Onda
Posted
Feb 08, 2021
10.26434/chemrxiv.13726543.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Physical Property Scaling Relationships for Polyelectrolyte Complex Micelles

, Authors: Alexander Marras, Trinity Campagna, Jeffrey Vieregg, Matthew Tirrell
Posted
Feb 08, 2021
10.26434/chemrxiv.13721719.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Targeted Isolation of Photoactive Pigments from Mushrooms Yielded a Highly Potent New Photosensitizer: 7,7’-Biphyscion

, Authors: Fabian Hammerle, Isabella Bingger, Andrea Pannwitz, Alexander Magnutzki, Ronald Gstir, Adriano Rutz, Jean-Luc Wolfender, Ursula Peintner, Bianka Siewert
Posted
Feb 08, 2021
10.26434/chemrxiv.13721770.v1
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Importance of Meteorology and Chemistry in Determining Air Pollutant Levels During COVID-19 Lockdown in Indian Cities

, Authors: Leigh Crilley, Yashar Iranpour, Cora J. Young
Posted
Feb 08, 2021
10.26434/chemrxiv.13724026.v1
 
Category: Catalysis
,
Working Paper
, Title:

Enhancing The Photocatalytic Conversion Of Pt(IV) Substrates By Flavoprotein Engineering

, Authors: Juan Gurruchaga-Pereda, Virginia Martínez-Martínez, Elena Formoso, Oksana Azpitarte, Elixabete Rezabal, Xabier Lopez, Aitziber Lopez Cortajarena, Luca Salassa
Posted
Feb 08, 2021
10.26434/chemrxiv.13701994.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Giving Attention to Generative VAE Models for De Novo Molecular Design

, Authors: Orion Dollar, Nisarg Joshi, David A. C. Beck, Jim Pfaendtner
Posted
Feb 08, 2021
10.26434/chemrxiv.13724629.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis of Multi-Substituted Bicycloalkyl Boronates: An Intramolecular Coupling Approach to Alkyl Bioisosteres

, Authors: Yangyang Yang, Jet Tsien, Jonathan Hughes, Byron Peters, Rohan Merchant, Tian Qin
Posted
Feb 08, 2021
10.26434/chemrxiv.13724827.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

A Benchmark Test on the Leapfrog Integrator and its Middle Alternative

, Authors: Zhaoxi Sun
Posted
Feb 09, 2021
10.26434/chemrxiv.13727839.v1
 
Category: Catalysis
,
Working Paper
, Title:

One-Pot Synthesis and Characterization of Biomimetic Copper(I) Complexes

, Authors: Isabelle Gerz, Chiara Negri, David Wragg, Sigurd Øien-Ødegaard, Mats Tilset, Unni Olsbye, Mohamed Amedjkouh
Posted
Feb 09, 2021
10.26434/chemrxiv.13727857.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Enzymatic β-Oxidation of the Cholesterol Side Chain in Mycobacterium Tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-Cholest-4,22- Dien-24-Oyl-CoA

, Authors: Tianao Yuan, Joshua Werman, Xingyu Yin, Meng Yang, Miguel Garcia-Diaz, Nicole Sampson
Posted
Feb 09, 2021
10.26434/chemrxiv.13728112.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

The Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis

, Authors: Mahima Sharma, Palika Abayakoon, Ruwan Epa, Yi Jin, James P. Lingford, Tomohiro Shimada, Masahiro Nakano, Janice Mui, Akira Ishihama, Ethan D. Goddard-Borger, Gideon J. Davies, Spencer Williams
Posted
Feb 09, 2021
10.26434/chemrxiv.12974237.v3
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Late-Stage Carbon Isotope Exchange of Aryl Nitriles through Ni-Catalyzed C–CN Bond Activation

, Authors: Sean Reilly, Yu-hong Lam, Sumei Ren, Neil Strotman
Posted
Feb 09, 2021
10.26434/chemrxiv.13724023.v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Outstanding Enhancement in the Axial Coordination Ability of the Highly Rigid Cofacial Cyclic Metalloporphyrin Dimer

, Authors: Ken-ichi Yamashita, Kazuhiro Furutani, Takuji Ogawa
Posted
Feb 09, 2021
10.26434/chemrxiv.13728373.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Neutral Metal-Chelating Compounds with High 64Cu Affinity for PET Imaging Applications in Alzheimer’s Disease

, Authors: Liviu M. Mirica, Yiran Huang, Truc T. Huynh, Liang Sun, Chi-Herng Hu, Wang Yung-Ching, Buck E. Rogers
Posted
Feb 09, 2021
10.26434/chemrxiv.13606049.v1
 
Category: Materials Science
,
Working Paper
, Title:

Size Isn’t Everything - Compositional Variation in Hybrid Organic-Inorganic Lead Halide Perovskites: Kinetically- versus Thermodynamically-controlled Synthesis

, Authors: Jiyu Tian, Eli Zysman-Colman, Finlay Morrison
Posted
Feb 09, 2021
10.26434/chemrxiv.13729063.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Stripping off of the Hydration Shells in the Double Layer Formation: Water Networks Matter

, Authors: Serena Rosa Alfarano, Simone Pezzotti, Christopher Stein, Zhou Lin, federico sebastiani, Sarah Funke, Katja Mauelshagen, Claudius Hoberg, Inga kolling, Chun Yu Ma, T Ockelmann, G. Schwaab, Li Fu, JB brubach, roy pascale, Martin Head-Gordon, Marie-Pierre Gaigeot, Kristina Tschulik, martina havenith
Posted
Feb 09, 2021
10.26434/chemrxiv.13721179.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Electron Inventory of the Iron-Sulfur Scaffold Complex HypCD Essential in [NiFe]-Hydrogenase Cofactor Assembly

, Authors: Sven T. Stripp, Jonathan Oltmanns, Christina S. Müller, David Ehrenberg, Ramona Schlesinger, Joachim Heberle, Lorenz Adrian, Volker Schünemann, Antonio J. Pierik, Basem Soboh
Posted
Feb 09, 2021
10.26434/chemrxiv.13736632.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Protein Conjugation with Triazolinediones: Switching from a General Tyrosine-Selective Labeling Method to a Highly Specific Tryptophan Bioconjugation Strategy

, Authors: Klaas Decoene, Kamil Unal, An Staes, Kris Gevaert, Johan M. Winne, Annemieke Madder
Posted
Feb 09, 2021
10.26434/chemrxiv.13739320.v1
 
Category: Energy
,
Working Paper
, Title:

Determining Performance Limits for Non-Aqueous Redox Flow Batteries

, Authors: Zhijiang Tang, Aman Preet Kaur, Alan Pezeshki, Subrahmanyam Modekrutti, Frank Delnick, Thomas Zawodzinski, Gabriel Veith, Susan Odom
Posted
Feb 09, 2021
10.26434/chemrxiv.13739692.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Machine Learning Classification of Disrotatory IRC and Conrotatory Non-IRC Trajectory Motion for Cyclopropyl Radical Ring Opening

, Authors: Steven Maley, Jesse Melville, Spencer Yu, Cal Hargis, Reid Hamilton, Benjamin Grant, Matthew Teynor, Daniel Ess
Posted
Feb 09, 2021
10.26434/chemrxiv.13750414.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Introduction to Machine Learning for Chemists: An Undergraduate Course Using Python Notebooks for Visualization, Data Processing, Data Analysis, and Data Modeling

, Authors: Deborah Lafuente, Brenda Cohen, Guillermo Fiorini, Agustín García, Mauro Bringas, Ezequiel Morzan, Diego Onna
Posted
Feb 10, 2021
10.26434/chemrxiv.13749199.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

[89Zr]Zr(oxinate)4 Allows Direct Radiolabelling and PET Imaging of Small Extracellular Vesicles

, Authors: Azalea Khan, Francis Man, Farid Faruqu, Jana Kim, Fahad Al-Salemee, Alessia Volpe, Gilbert O. Fruhwirth, Khuloud T. Al-Jamal, Rafael T. M. de Rosales
Posted
Feb 10, 2021
10.26434/chemrxiv.12730463.v2
 
Category: Catalysis
,
Working Paper
, Title:

Reduction of O2 to H2O2 using Small Polycyclic Molecules

, Authors: Kristal Lopez, Michael Groves
Posted
Feb 10, 2021
10.26434/chemrxiv.12665468.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

Computational Predictions of Metal-Macrocycle Stability Constants Require Accurate Treatments of Local Solvent and pH Effects

, Authors: Brian Gentry, Tae Hoon Choi, William Belfield, John Keith
Posted
Feb 10, 2021
10.26434/chemrxiv.13765819.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program

, Authors: Madushanka Manathunga, Chi Jin, Vinicius Cruzeiro, Yipu Miao, Dawei Mu, Kamesh Arumugam, Kristopher Keipert, Hasan Metin Aktulga, Kenneth M. Merz, Jr., Andreas Goetz
Posted
Feb 10, 2021
10.26434/chemrxiv.13769209.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Dynamical Cooperativity of Ligand-Residue Interactions Evaluated with the Fragment Molecular Orbital Method

, Authors: Shigenori Tanaka, Shusuke Tokutomi, Ryo Hatada,, Koji Okuwaki, Kazuki Akisawa, Kaori Fukuzawa, Yuto Komeiji, Yoshio Okiyama, Yuji Mochizuki
Posted
Feb 10, 2021
10.26434/chemrxiv.13775182.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Evaluation of Thermochemical Machine Learning for Potential Energy Curves and Geometry Optimization

, Authors: Dakota Folmsbee, David R. Koes, Geoffrey Hutchison
Posted
Feb 10, 2021
10.26434/chemrxiv.13029437.v2
 
Category: Polymer Science
,
Working Paper
, Title:

Immobilization of Nanobodies with Vapor-Deposited Polymer Encapsulation for Robust Biosensors

, Authors: Ruolan Fan, Jiale Du, Kwang-Won Park, Eric Strieter, Trisha L. Andrew, Lin Hui Chang
Posted
Feb 10, 2021
10.26434/chemrxiv.13727923.v1
 
Category: Polymer Science
,
Working Paper
, Title:

CO2-Involved and Isocyanide-based Three-component Polymerization toward Functional Heterocyclic Polymers with Self-assembly and Sensing Properties

, Authors: Dongming Liu, Bo Song, JIa Wang, Baoxi Li, Bingnan Wang, Mingzhao Li, Anjun Qin, Ben Zhong Tang
Posted
Feb 10, 2021
10.26434/chemrxiv.13804841.v1
 
Category: Materials Science
,
Working Paper
, Title:

The Search for Molecular Corks Beyond Carbon Monoxide: A Quantum Mechanical Study of N-Heterocyclic Carbene Adsorption on Pd/Cu(111) and Pt/Cu(111) Single Atom Alloys

, Authors: Scott Simpson
Posted
Feb 10, 2021
10.26434/chemrxiv.13812524.v1
 
Category: Catalysis
,
Working Paper
, Title:

Improved Photodegradation of Anionic Dyes Using a Complex Graphitic Carbon Nitride and Iron-Based Metal-Organic Framework Material

, Authors: Huan Doan, Hoa Thi Nguyen, Valeska Ting, Shaoliang Guan, Jean-Charles Eloi, Simon R. Hall, Xuan Nui Pham
Posted
Feb 10, 2021
10.26434/chemrxiv.13813691.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Figure-of-Eight Helicene Carbon Nanohoop with Möbius Topology

, Authors: Juraj Malinčík, Sudhakar Gaikwad, Marc-Aurèle Boillat, Daniel Häussinger, Tomas Solomek
Posted
Feb 10, 2021
10.26434/chemrxiv.13817498.v1
 
Category: Materials Science
,
Working Paper
, Title:

Why is Mechanical Fatigue Different from Toughness in Elastomers? The Role of Damage by Polymer Chain Scission

, Authors: Gabriel Sanoja, Xavier P. Morelle, Jean Comtet, C. Joshua Yeh, Matteo Ciccotti, Costantino Creton
Posted
Feb 10, 2021
10.26434/chemrxiv.13712875.v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

A Theoretical and Experimental Study of Electrochemical pH Control at Gold Interdigitated Microband Arrays

, Authors: Bernardo Patella, Robert Daly, Ian Seymour, Pierre Lovera, James Rohan, Rosslinda Inguanta, Alan O'Riordan, Benjamin O'sullivan
Posted
Feb 10, 2021
10.26434/chemrxiv.13796252.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Structure-Guided Design, Synthesis, and Evaluation of 1-Indanone and 1,3-Indandione Derivatives as Ligands for Misfolded α-Synuclein Aggregates

, Authors: Xianwei Sun, Prasad Admane, Zbigniew A. Starosolski, Jason L Eriksen, Ananth V. Annapragada, Eric Tanifum
Posted
Feb 10, 2021
10.26434/chemrxiv.13817243.v1
 
Category: Catalysis
,
Working Paper
, Title:

Thermochemical Aerobic Oxidation Catalysis in Water Proceeds via Coupled Electrochemical Half-Reactions

, Authors: Jaeyune Ryu, Daniel Bregante, William C. Howland, Ryan P. Bisbey, Corey J. Kaminsky, Yogesh Surendranath
Posted
Feb 10, 2021
10.26434/chemrxiv.13830920.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Terphenyl-based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein−Protein Interaction

, Authors: Damian Muszak, Ewa Surmiak, Jacek Plewka, Katarzyna Magiera-Mularz, Justyna Kocik, Bogdan Musielak, Dominik Sala, Radosław Kitel, Małgorzata Stec, Maciej Siedlar, Alexander Domling, Łukasz Skalniak, Tad Holak
Posted
Feb 11, 2021
10.26434/chemrxiv.13849442.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

High-Capacity Reversible Lithium Storage in Defined Microporous Carbon Framework for All Solid-State Lithium Batteries

, Authors: Luise Bloi, Felix Hippauf, Tom Boenke, Marcus Rauche, Silvia Paasch, Konstantin Schutjajew, Jonas Pampel, Friedrich Schwotzer, Susanne Dörfler, Holger Althues, Martin Oschatz, Eike Brunner, Stefan Kaskel
Posted
Feb 11, 2021
10.26434/chemrxiv.13819373.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

A Study of K/Ti-co-doped NaAlH4 on Thermodynamic Tailoring, Surplus Hydrogen Amount and Metal Hydride Molar Volume

, Authors: Roland Hermann Pawelke
Posted
Feb 11, 2021
10.26434/chemrxiv.13857623.v1
 
Category: Catalysis
,
Working Paper
, Title:

Silica-supported PdGa Nanoparticles: Metal Synergy for Highly Active and Selective CO2-to-CH3OH Hydrogenation

, Authors: Scott Docherty, Nat Phongprueksathat, Erwin Lam, Gina Noh, Olga V. Safonova, Atsushi Urakawa, Christophe Copéret
Posted
Feb 11, 2021
10.26434/chemrxiv.13580942.v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Mechanistic Origin of Superionic Lithium Diffusion in Anion-Disordered Li6PS5X Argyrodites

, Authors: Benjamin Morgan
Posted
Feb 11, 2021
10.26434/chemrxiv.12349703.v3
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Full Optical Rotation Tensor at CCSD Level in the Modified Velocity Gauge

, Authors: Kaihua Zhang, Ty Balduf, Marco Caricato
Posted
Feb 11, 2021
10.26434/chemrxiv.13204064.v3
 
Category: Catalysis
,
Working Paper
, Title:

Computational Investigation of the Role of Active Site Heterogeneity for a Supported Organovanadium(III) Hydrogenation Catalyst

, Authors: Prajay Patel, Robert Wells, David Kaphan, Massimiliano Delferro, Rex T. Skodje, Cong Liu
Posted
Feb 11, 2021
10.26434/chemrxiv.13694446.v2
 
Category: Chemical Engineering and Industrial Chemistry
,
Working Paper
, Title:

Artificial Neural Network (FFBP-ANN) Based Grey Relational Analysis for Modeling Dyestuff Solubility in Supercritical CO2 with Ethanol as the Co-Solvent

, Authors: FNU Srinidhi
Posted
Feb 11, 2021
10.26434/chemrxiv.11973273.v4
 
Category: Catalysis
,
Working Paper
, Title:

Insights into the Mechanism and Catalysis of Peptide Thioester Synthesis by Alkylselenols Provide a New Tool for Chemical Protein Synthesis

, Authors: Florent kerdraon, Gemma Bogard, Benoît Snella, Hervé Drobecq, Muriel Pichavant, Vangelis Agouridas, Oleg Melnyk
Posted
Feb 11, 2021
10.26434/chemrxiv.13856942.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Amyloid β-binding Bifunctional Chelators with Favorable Lipophilicity for 64Cu PET Imaging in Alzheimer’s Disease

, Authors: Yujue Wang, Truc T. Huynh, Hong-Jun Cho, Wang Yung-Ching, Buck E. Rogers, Liviu M. Mirica
Posted
Feb 11, 2021
10.26434/chemrxiv.13606055.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Genetically-Encoded Discovery of Proteolytically Stable Bicyclic Inhibitors of Morphogen NODAL

, Authors: Jeffrey Y. K. Wong, Raja Mukherjee, Olena Bilyk, Jiayuan Miao, Vivian Triana, Mark Miskolzie, Yu-Shan Lin, Antoine Henninot, John Dwyer, Serhii Kharchenko, Anna Iampolska, Dmitriy Volochnyuk, John J. Postovit, Ratmir Derda
Posted
Feb 11, 2021
10.26434/chemrxiv.13870592.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Predicting the Potential Effect of E484K Mutation on the Binding of 28 Antibodies to the Spike Protein of SARS-CoV-2 by Molecular Dynamics Simulation and Free Energy Calculation

, Authors: Leyun Wu, Cheng Peng, Zhijian Xu, weiliang zhu
Posted
Feb 11, 2021
10.26434/chemrxiv.13897091.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Imputation of Missing Gas Permeability Data for Polymer Membranes using Machine Learning

, Authors: Qi Yuan, Mariagiulia Longo, Aaron Thornton, Neil B. McKeown, Bibiana Comesana-Gandara, Johannes C. Jansen, Kim Jelfs
Posted
Feb 12, 2021
10.26434/chemrxiv.13124993.v2
 
Category: Catalysis
,
Working Paper
, Title:

Absence of Non-Linear Effects Despite Evidence for Catalyst Aggregation

, Authors: Yannick Geiger, thierry achard, aline maisse-françois, Stephane Bellemin-Laponnaz
Posted
Feb 12, 2021
10.26434/chemrxiv.13911659.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

An Ultrafast and Flexible LC-MS/MS System Paves the Way for Machine Learning Driven Sample Processing and Data Evaluation in Early Drug Discovery

, Authors: Tim Häbe, Christian Späth, Steffen Schrade, Wolfgang Jörg, Roderich Süssmuth, Daniel Bischoff, Andreas Luippold
Posted
Feb 12, 2021
10.26434/chemrxiv.13917179.v1
 
Category: Materials Science
,
Working Paper
, Title:

Functions of Magnetic Nanoparticles in Selective Laser Sintering (SLS) 3D Printing of Pharmaceutical Dosage Forms

, Authors: Yu Zhang, Jiaxiang Zhang, Rishi Thakkar, Amit R Pillai, Jiawei Wang, Anqi Lu, Mohammed Maniruzzaman
Posted
Feb 12, 2021
10.26434/chemrxiv.13925177.v1
 
Category: Materials Science
,
Working Paper
, Title:

Synthesis and Characterization of the Fluorescent Self-Assembled Structures Formed by Benzothiazolone Conjugates and Applications in Cellular Imaging

, Authors: Nidhi Gour, Vivekshinh Kshtriya, Bharti Koshti, Ankit Gangrade, Ashadul Haque, Ramesh, Singh, khashti Ballabh Joshi, Dhiraj Bhatia
Posted
Feb 12, 2021
10.26434/chemrxiv.13928792.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Chemoinformatic Analysis of Psychotropic and Antihistaminic Drugs in the Light of Experimental Anti-SARS-CoV-2 Activities

, Authors: Bruno Villoutreix, Rajagopal Krishnamoorthy, Ryad Tamouza, Marion Leboyer, Philippe Beaune
Posted
Feb 12, 2021
10.26434/chemrxiv.13643690.v4
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Efficient Hierarchical Models for Reactivity of Organic Layers on Semiconductor Surfaces

, Authors: Jan-Niclas Luy, Mahlet Molla, Lisa Pecher, Ralf Tonner
Posted
Feb 12, 2021
10.26434/chemrxiv.13342037.v2
 
Category: Organic Chemistry
,
Working Paper
, Title:

Synthesis and Configurational Assignment of Vinyl Sulfoximines and Sulfonimidamides

, Authors: Gregory Craven, Edward L. Briggs, Charlotte Zammit, Alex McDermott, Stephanie Greed, Dominic Affron, Charlotte Leinfellner, Hannah Cudmore, Ruth Tweedy, Renzo Luisi, James Bull, Alan Armstrong
Posted
Feb 15, 2021
10.26434/chemrxiv.13947413.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Iron (II/III) Halide Complexes Promote the Interconversion of Nitric Oxide and S-nitrosothiols through Reversible Fe-S Interaction

, Authors: Anna Poptic, Shiyu Zhang
Posted
Feb 15, 2021
10.26434/chemrxiv.13951274.v1
 
Category: Materials Science
,
Working Paper
, Title:

Shear-Mediated Sol-Gel Transition of Regenerated Silk Allows the Formation of Janus-like Microgels

, Authors: Zenon Toprakcioglu, Tuomas Knowles
Posted
Feb 15, 2021
10.26434/chemrxiv.13909250.v1
 
Category: Materials Science
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Working Paper
, Title:

Liquid-Phase Exfoliation of Biochars in Green Solvents and Correlation with Solvent Parameters

, Authors: Juliana Vidal, Stephanie Gallant, Evan Connors, Douglas Richards, Stephanie MacQuarrie, Francesca Kerton
Posted
Feb 15, 2021
10.26434/chemrxiv.11571225.v3
 
Category: Chemical Education
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Working Paper
, Title:

Lifting the Lid on the Potentiostat: A Beginners Guide to Understanding Electrochemical Circuitry and Practical Operation

, Authors: Alex Colburn, Katharine Levey, Danny O'Hare, Julie Macpherson
Posted
Feb 15, 2021
10.26434/chemrxiv.13760167.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Enhancing Paraoxon Binding to Organophosphorus Hydrolase Active Site

, Authors: Léa El Khoury, David Mobley, Dongmei Ye, Susan Rempe
Posted
Feb 15, 2021
10.26434/chemrxiv.13930874.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Progress Towards a Large-Scale Synthesis of Molnupiravir (MK-4482, EIDD-2801) from Cytidine

, Authors: Grace P. Ahlqvist, Catherine P. McGeough, Chris Senanayake, Joseph D. Armstrong, Ajay Yadaw, Sarabindu Roy, Saeed Ahmad, David R. Snead, Tim Jamison
Posted
Feb 16, 2021
10.26434/chemrxiv.13809527.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Liquiritin from Glycirrhyza Glabra L (Fabaceae) - a Natural Derived Drug, as a Potential Inhibitor for SARS-CoV-2

, Authors: Akash Vanzara, Ravi Patel, Amisha Patel, Nimisha Patel, Kapil Yadav, Padamnabhi Nagar
Posted
Feb 16, 2021
10.26434/chemrxiv.13853345.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Translation of Collagen Ultrastructure to Biomaterial Fabrication for Material Independent but Highly Efficient Topographic Immunomodulation

, Authors: matthias ryma, tina tylek, julia liebscher, robin fernandez, christoph böhm, carina blum, wolfgang kastenmüller, georg gasteiger, Jürgen Groll
Posted
Feb 16, 2021
10.26434/chemrxiv.13947575.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Enzymatic RNA Production from NTPs Synthesized from Nucleosides and Trimetaphosphate

, Authors: Fabio Chizzolini, Alexandra Kent, Luiz F. M. Passalacqua, Andrej Lupták
Posted
Feb 16, 2021
10.26434/chemrxiv.13875842.v2
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

A Benchmark of Electrostatic Methods Performance in Relative Binding Free Energy Calculations

, Authors: Yunhui Ge, David F. Hahn, David Mobley
Posted
Feb 16, 2021
10.26434/chemrxiv.13353410.v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Assembly of Model Membrane Nanodiscs for Native Mass Spectrometry

, Authors: Marius Kostelic, Ciara K. Zak, Hiruni Jayasekera, Michael Marty
Posted
Feb 16, 2021
10.26434/chemrxiv.13954415.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Structure Revision of the Lomaiviticins

, Authors: Lee Joon Kim, Mengzhao Xue, Xin Li, Zhi Xu, Eric Paulson, Brandon Q. Mercado, Hosea Nelson, Seth Herzon
Posted
Feb 16, 2021
10.26434/chemrxiv.13956122.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Synergistic Effect of Urease and Nitrification Inhibitors in the Reduction of Ammonia Volatilization

, Authors: Asim Hussain,, Zara Jabeen, Nadia Afsheen, Hamza Rafiq, Zill e Huma, Khalil Ur Rahman, Muhammad Naeem, Abu Hazafa
Posted
Feb 16, 2021
10.26434/chemrxiv.13966805.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK

, Authors: Vinicius Cruzeiro, Madushanka Manathunga, Kenneth M. Merz, Jr., Andreas Goetz
Posted
Feb 16, 2021
10.26434/chemrxiv.13984028.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Computational Study of Hydrogen Bond Interactions in Water Cluster-Organic Molecule Complexes

, Authors: Eduardo Romero-Montalvo, Gino A. DiLabio
Posted
Feb 16, 2021
10.26434/chemrxiv.14024024.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Theoretical Studies on the Reactions of Aryl and Hetaryl Thioketones with Nitrilimines

, Authors: George Baffour Pipim, Ernest Opoku
Posted
Feb 16, 2021
10.26434/chemrxiv.14012888.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Screening of Hydrogen Bonding Interactions by a Single Layer Graphene

, Authors: Babu Gaire, Saranshu Singla, Ali Dhinojwala
Posted
Feb 16, 2021
10.26434/chemrxiv.14004356.v1
 
Category: Materials Science
,
Working Paper
, Title:

Air-Stable and Visible-Light-Active P-Type Organic Long-Persistent-Luminescence System by Using Organic Photoredox Catalyst

, Authors: Kazuya Jinnai, Ryota Kabe, Zesen Lin, Chihaya Adachi
Posted
Feb 16, 2021
10.26434/chemrxiv.14029313.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Simple Acyclic Molecules Containing a Single Charge-Assisted O–H Group Can Recognize Anions in Acetonitrile:water Mixtures

, Authors: Rosemary Goodwin, Mitchell Blyth, Alfred Fung, Leesa Smith, Philip Norcott, Sara Tanovic, Michelle Coote, Nicholas White
Posted
Feb 16, 2021
10.26434/chemrxiv.14030342.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Differential Effects of Modified Batrachotoxins on Voltage-gated Sodium Channel Fast and Slow Inactivation

, Authors: Tim M. G. MacKenzie, Fayal Abderemane-Ali, Catherine E. Garrison, Daniel L. Minor Jr., Justin Du Bois
Posted
Feb 16, 2021
10.26434/chemrxiv.14026406.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Screening Tagged Proteins Using Tandem Affinity-Buffer Exchange Chromatography Online with Native Mass Spectrometry

, Authors: Florian Busch, Zachary VanAernum, Stella M. Lai, Venkat Gopalan, Vicki Wysocki
Posted
Feb 16, 2021
10.26434/chemrxiv.14035691.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study

, Authors: Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, Roberta Poloni
Posted
Feb 16, 2021
10.26434/chemrxiv.14034917.v1
 
Category: Nanoscience
,
Working Paper
, Title:

How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring

, Authors: irene casademont-reig, Raúl Guerrero-Avilés, Eloy Ramos-Cordoba, Miquel Torrent-Sucarrat, Eduard Matito
Posted
Feb 16, 2021
10.26434/chemrxiv.14035919.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Unraveling the Guest-Induced Switchability in the Metal-Organic Framework DUT-13(Zn)

, Authors: Bodo Felsner, Volodymyr Bon, Jack D. Evans, Friedrich Schwotzer, Ronny Grünker, Irena Senkovska, Stefan Kaskel
Posted
Feb 17, 2021
10.26434/chemrxiv.14036558.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Changing the Game of Time Resolved X-Ray Diffraction on the Mechanochemistry Playground by Downsizing

, Authors: Giulio I. Lampronti, Adam Michalchuk, Paolo P. Mazzeo, Ana Belenguer, Jeremy K. M. Sanders, Alessia Bacchi, Franziska Emmerling
Posted
Feb 17, 2021
10.26434/chemrxiv.14034623.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Sequential Ion-Ion Reactions for Enhanced Gas-Phase Sequencing of Large Intact Proteins in a Tribrid Orbitrap Mass Spectrometer

, Authors: Jake Kline, Christopher Mullen, Kenneth Durbin, Ryan Oates, Romain Huguet, John Syka, Luca Fornelli
Posted
Feb 17, 2021
10.26434/chemrxiv.14036810.v1
 
Category: Materials Chemistry
,
Working Paper
, Title:

Unravelling Defect Passivation Mechanisms in Sulfur-treated Sb2Se3

, Authors: Rajiv Ramanujam Prabhakar, Thomas Moehl, Dennis Friedrich, Marinus Kunst, Sudhanshu Shukla, Damilola Adeleye, Vinayaka H. Damle, Sebastian Siol, Wei Cui, Laxman Gouda, Jihye Suh, Yaakov R. Tischler, Roel van de Krol, David Tilley
Posted
Feb 17, 2021
10.26434/chemrxiv.14038871.v1
 
Category: Organic Chemistry
,
Working Paper
, Title:

Production of High Value Amine Intermediates via Biocatalytic Cascades in Continuous Flow

, Authors: Ashley P. Mattey, grayson ford, Joan Citoler, Christopher Baldwin, James Marshall, Ryan Pamer, Matthew P. thompson, Nicholas Turner, Sebastian Cosgrove, Sabine Flitsch
Posted
Feb 17, 2021
10.26434/chemrxiv.14039141.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

DECIMER Segmentation - Automated Extraction of Chemical Structure Depictions from Scientific Literature

, Authors: Kohulan Rajan, Henning Otto brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck
Posted
Feb 17, 2021
10.26434/chemrxiv.13536950.v2
 
Category: Catalysis
,
Working Paper
, Title:

CH4-to-CH3OH on Mononuclear Cu(II) Sites Supported on Al2O3: Structure of Active Sites from Electron Paramagnetic Resonance

, Authors: Jordan Meyet, Anton Ashuiev, Gina Noh, Mark Newton, Daniel Klose, Keith Searles, Alexander van Bavel, Andrew Horton, Gunnar Jeschke, Jeroen A. van Bokhoven, Christophe Copéret
Posted
Feb 17, 2021
10.26434/chemrxiv.13295879.v2
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Gas-Phase Ion/Ion Chemistry for Structurally Sensitive Probes of Gaseous Protein Ion Structure: Electrostatic and Electrostatic to Covalent Cross-Linking

, Authors: Melanie Cheung See Kit, Veronica V. Carvalho, Jonah Z. Vilseck, Ian Webb
Posted
Feb 17, 2021
10.26434/chemrxiv.13171754.v2
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Predicting Environmental Chemical Toxicity using a New Hybrid Deep Machine Learning Method

, Authors: Sarita Limbu, Cyril Zakka, Sivanesan Dakshanamurthy
Posted
Feb 17, 2021
10.26434/chemrxiv.13726258.v2
 
Category: Nanoscience
,
Working Paper
, Title:

A Method for the Growth of Uniform Silica Shells on Different Size and Morphology Upconversion Nanoparticles

, Authors: Elena Ureña-Horno, Maria Eleni Kyriazi, Antonios Kanaras
Posted
Feb 17, 2021
10.26434/chemrxiv.14039738.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Revealing the Nature of Electron Correlation in Transition Metal Complexes with Symmetry-Breaking and Chemical Intuition

, Authors: James Shee, Matthias Loipersberger, Diptarka Hait, Joonho Lee, Martin Head-Gordon
Posted
Feb 17, 2021
10.26434/chemrxiv.13972493.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Synchronized Reagent Delivery in Double Emulsions for Triggering Chemical Reactions and Gene Expression

, Authors: Ariane Stucki, Petra Jusková, Nicola Nuti, Steven Schmitt, Petra Dittrich
Posted
Feb 17, 2021
10.26434/chemrxiv.14039825.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

The Ras Dimer Structure

, Authors: Till Rudack, Christian Teuber, Marvin Scherlo, Jörn Güldenhaupt, Jonas Schartner, Mathias Lübben, Johann P. Klare, Klaus Gerwert, Carsten Kötting
Posted
Feb 17, 2021
10.26434/chemrxiv.14039810.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence

, Authors: Lucas Foppa, Luca Ghiringhelli, Frank Girgsdies, Maike Hashagen, Pierre Kube, Michael Hävecker, Spencer J. Carey, Andrey Tarasov, Peter Kraus, Frank Rosowski, Robert Schlögl, Annette Trunschke, Matthias Scheffler
Posted
Feb 17, 2021
10.26434/chemrxiv.14043740.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Myxobacterial Depsipeptide Chondramides Interrupt SARS-CoV-2 Entry by Targeting Its Broad, Cell Tropic Spike Protein: Antagonistic Prospects for Anti-COVID-19 Drug Discovery

, Authors: Rey Arturo T. Fernandez, Mark Tristan J. Quimque, Kin Israel Notarte, Joe Anthony Manzano, Delfin Yñigo H. Pilapil, Von Novi de Leon, John Jeric P. San Jose, Omar Villalobos, Allan Patrick Macabeo
Posted
Feb 17, 2021
10.26434/chemrxiv.14043641.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Improved Prediction of Solvation Free Energies by Machine-Learning Polarizable Continuum Solvation Model

, Authors: Amin Alibakhshi, Bernd Hartke
Posted
Feb 17, 2021
10.26434/chemrxiv.14043503.v1
 
Category: Materials Science
,
Working Paper
, Title:

Compatible Ferroelectricity, Antiferroelectricity and Broadband Emission for a Multi-Functional 2D Organic-Inorganic Hybrid Perovskite

, Authors: Wenjuan Wei, Hongqiang Gao, Yuhui Tan, Yunzhi Tang
Posted
Feb 18, 2021
10.26434/chemrxiv.14043434.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Performance of a FRET-Based Point-of-Care Immunoassay for the Quantitation of Fecal Calprotectin

, Authors: Manisha Yadav, Michael Skinner, Rukmini Reddy, Matthew Wong, Kevin Chon, Raj Srikrishnan, Ruo Huang, Edgar Ong, Kurt Bray, Valerie Day, Larry Mimms, Michael Hale
Posted
Feb 18, 2021
10.26434/chemrxiv.14043821.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Investigating 3,4-Bis(3-Nitrofurazan-4-Yl)furoxan Detonation with a Rapidly Tuned Density Functional Tight Binding Model

, Authors: Rebecca Lindsey, Sorin Bastea, Nir Goldman, Laurence E. Fried
Posted
Feb 18, 2021
10.26434/chemrxiv.14043839.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Pareto Optimization of Oligomer Polarizability and Dipole Moment using a Genetic Algorithm

, Authors: Danielle Hiener, Geoffrey Hutchison
Posted
Feb 18, 2021
10.26434/chemrxiv.14043782.v1
 
Category: Catalysis
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Working Paper
, Title:

Standardized Stirring for Small Scale Surveys

, Authors: Isaac Omari, Mathias Paul, J Scott McIndoe
Posted
Feb 18, 2021
10.26434/chemrxiv.13289354.v2
 
Category: Materials Science
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Working Paper
, Title:

A Revised Relationship Between Fracture Toughness and Y2O3 Content in Modern Dental Zirconias

, Authors: Renan Belli, Katrin Hurle, Jana Schürrlein, Anselm Petschelt, Katharina Werbach, Herwig Peterlik, Torsten Rabe, Björn Mieller, Ulrich LOHBAUER
Posted
Feb 18, 2021
10.26434/chemrxiv.14044205.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Highly Sensitive Optical Sensor for Selective Detection of Fluoride Level in Drinking Water: Methodology to Fabrication of Prototype Device

, Authors: Arka Chatterjee, Nivedita Pan, Tuhin Kumar Maji, Sheik Saleem Pasha, Soumendra Singh, Saleh A. Ahmed, Jalal T. Al-Thakafy, Samir Kumar Pal
Posted
Feb 18, 2021
10.26434/chemrxiv.14034605.v1
 
Category: Catalysis
,
Working Paper
, Title:

Rational Engineering of a Carboxylesterase for the Synthesis of Polyesters for Biomedical Applications

, Authors: Beatriz Almeida, Pedro Figueiredo, Daniel F.A.R. Dourado, Stephanie Paul, Derek J. Quinn, Thomas S. Moody, Andreia F. Sousa, Armando J.D. Silvestre, Alexandra Carvalho
Posted
Feb 18, 2021
10.26434/chemrxiv.14045915.v1
 
Category: Materials Science
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Working Paper
, Title:

Heavy-Atom Effect Promotes Multi-Resonance Thermally Activated Delayed Fluorescence

, Authors: Tao Hua, Lisi Zhan, Nengquan Li, Zhongyan Huang, Xiaosong Cao, Zhengqi Xiao, Shaolong Gong, Changjiang Zhou, Cheng Zhong, Chuluo Yang
Posted
Feb 18, 2021
10.26434/chemrxiv.14046296.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Large Scale Profiling of SARS-CoV-2-Infected Patients Identified Potential Therapeutic Host Targets and Drug Candidates for COVID-19

, Authors: Sidharth Jain, Samantha Rego, Sivanesan Dakshanamurthy
Posted
Feb 18, 2021
10.26434/chemrxiv.13660982.v3
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Wide Bite Angle Disphosphine Ligands in Thermally Activated Delayed Fluorescent Copper(I) Complexes: Impact on the Performance of Electroluminescence Applications

, Authors: Chenfei Li, Campbell Mackenzie, Said Said, Amlan Pal, Mohammad Haghighatbin, Azin Babaei, Michele Sessolo, David Cordes, Alexandra Slawin, Paul Kamer, Henk Bolink, Conor Hogan, Eli Zysman-Colman
Posted
Feb 18, 2021
10.26434/chemrxiv.14046449.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

CuH-Catalyzed Regio- and Enantioselective Hydrocarboxylation of Allenes: Towards Carboxylic Acids with Acyclic Quaternary Centers

, Authors: Sheng Feng, Stephen L. Buchwald
Posted
Feb 18, 2021
10.26434/chemrxiv.14046845.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Benchmarking of Density Functionals for Z-Azoarene Half-Lives via Automated Transition State Search

, Authors: Daniel Adrion, Danil Kaliakin, Patrick Neal, Steven Lopez
Posted
Feb 18, 2021
10.26434/chemrxiv.14046890.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Rational Design and Synthesis of Novel Dual Protacs for Simultaneous Degradation of EGFR and PARP

, Authors: Mengzhu Zheng, Junfeng Huo, Xiaoxia Gu, Canrong Wu, Qingzhe Zhang, Wang Wang, Yang Liu, Yu Liu, Xuechen Zhou, Lixia Chen, Yirong Zhou, Hua Li
Posted
Feb 18, 2021
10.26434/chemrxiv.14046857.v1
 
Category: Chemical Engineering and Industrial Chemistry
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Working Paper
, Title:

The Role of Hydrogen Bonding in the Dehydration of Bioalcohols in Hydrophobic Pervaporation Membranes

, Authors: Rafael M. Madero-Castro, Sofía Calero, A. Ozgur Yazaydin
Posted
Feb 18, 2021
10.26434/chemrxiv.14049719.v1
 
Category: Chemical Engineering and Industrial Chemistry
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Working Paper
, Title:

Passive Permeate-Side-Heated Solar Thermal Membrane Distillation: Extracting Potable Water from Seawater, Surface Water, and Municipal Wastewater at High Single-Stage Solar Efficiencies

, Authors: Rahamat Ullah Tanvir, Shahin Ahmed Sujon, Peng Yi
Posted
Feb 18, 2021
10.26434/chemrxiv.14047214.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Direct Carbon Isotope Exchange of Pharmaceuticals via Reversible Decyanation

, Authors: Minghao Feng, Joao De Oliveira, Antoine Sallustrau, Gianluca Destro, Pierre Thuéry, Sebastien Roy, Thibault Cantat, Charles S. Elmore, Jörg Blankenstein, Frédéric Taran, Davide Audisio
Posted
Feb 18, 2021
10.26434/chemrxiv.14049896.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

The Permeation Mechanism of Cisplatin through a Dioleoylphosphocholine Bilayer

, Authors: Lorena Ruano, Gustavo Cárdenas, Juan Jose Nogueira
Posted
Feb 19, 2021
10.26434/chemrxiv.12917957.v2
 
Category: Analytical Chemistry
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Working Paper
, Title:

A Pipeline for Making 31P NMR Accessible for Small- and Large-Scale Lipidomics Studies

, Authors: Samuel Furse, Huw Williams, Adam Watkins, Samuel Virtue, Antonio Vidal-Puig, Marika Charalambous, Albert Koulman
Posted
Feb 19, 2021
10.26434/chemrxiv.14053976.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Reevaluating the Solution Photophysics of Tetraphenylethylene at the Origin of their Aggregation-Induced Emission Properties

, Authors: jean rouillon, Cyrille Monnereau, Chantal Andraud
Posted
Feb 19, 2021
10.26434/chemrxiv.14053904.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Spherical Neutralizing Aptamer Inhibits SARS-CoV-2 Infection

, Authors: Miao Sun, Siwen Liu, Ting Song, Fude Chen, Jialu Zhang, Jiaao Huang, Shuang Wan, Yao Lu, Honglin Chen, Weihong Tan, Yanling Song, Chaoyong Yang
Posted
Feb 19, 2021
10.26434/chemrxiv.14054153.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

SARS-CoV-2 Mutations in Brazil: From Genomics to Clinical Conditions

, Authors: Luis Timmers, Julia Peixoto, Rodrigo Ducati, Jose Fernando Bachega, Leandro Mattos Pereira, Rafael Andrade Caceres, Fernanda Majolo, Guilherme Liberato Da Silva, Debora Bublitz Anton, Marcia Inês Goettert, Odir Antônio Dellagostin, Joao Henriques, Leder Xavier, Stefan Laufer
Posted
Feb 19, 2021
10.26434/chemrxiv.14045783.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

LigTMap: Ligand and Structure-Based Target Identification and Activity Prediction for Small Molecular Compounds

, Authors: Faraz Shaikh, Hio Kuan Tai, Nirali Desai, Shirley Siu
Posted
Feb 19, 2021
10.26434/chemrxiv.12923474.v2
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Co-crystals of Praziquantel: Discovery by Network-Based Link Prediction

, Authors: Jan-Joris Devogelaer, Maxime D. Charpentier, Arnoud Tijink, Valérie Dupray, Gérard Coquerel, Karen Johnston, Hugo Meekes, Paul Tinnemans, Elias Vlieg, Joop H. ter Horst, Rene de Gelder
Posted
Feb 19, 2021
10.26434/chemrxiv.13562795.v2
 
Category: Physical Chemistry
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Working Paper
, Title:

Intrinsically Polar Piezoelectric Self-Assembled Oligopeptide Monolayers

, Authors: Christopher Petroff, Giuseppe Cassone, Jiří Šponer, Geoffrey Hutchison
Posted
Feb 19, 2021
10.26434/chemrxiv.13151069.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Unified Synthesis of Polycyclic Alkaloids via Complementary Carbonyl Activation

, Authors: Guoli He, Benjamin List, Mathias Christmann
Posted
Feb 19, 2021
10.26434/chemrxiv.14054558.v1
 
Category: Earth, Space, and Environmental Chemistry
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Working Paper
, Title:

Spatial and Temporal Distributions of Polycyclic Aromatic Hydrocarbons in Sediments from the Canadian Arctic Archipelago

, Authors: Anne Corminboeuf, Jean-Carlos Montero-Serrano, Richard St-Louis
Posted
Feb 19, 2021
10.26434/chemrxiv.14055398.v1
 
Category: Catalysis
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Working Paper
, Title:

Unlocking Iminium Catalysis in Artificial Enzymes to Create a Friedel-Crafts Alkylase

, Authors: Reuben B. Leveson-Gower, Zhi Zhou, Ivana Drienovská, Gerard Roelfes
Posted
Feb 19, 2021
10.26434/chemrxiv.14054807.v1
 
Category: Catalysis
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Working Paper
, Title:

N-Ammonium Ylide Mediators for Selective Electrochemical C–H Oxidation

, Authors: Masato Saito, Yu Kawamata, Michael Meanwell, Rafael Navratil, Debora Chiodi, Ethan Carlson, Pengfei Hu, Longrui Chen, Sagar Udyavara, Cian Kingston, Mayank Tanwar, Sameer Tyagi, Bruce Mckillican, Moses Gichinga, Michael A. Schmidt, Martin Eastgate, Max Lamberto, Chi He, Tianhua Tang, Christian A. Malapit, Matthew S. Sigman, Shelley D. Minteer, Matthew Neurock, Phil Baran
Posted
Feb 19, 2021
10.26434/chemrxiv.14054783.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Hot Carrier Transfer in graphene/PtSe2 Heterostructure Tuned by Built-in Electric Field

, Authors: Qiushi Ma, Wenjie Zhang, Chunwei Wang, Ruihua Pu, Cheng-Wei Ju, Xian Lin, Zeyu Zhang, Weimin Liu, Ruxin Li
Posted
Feb 19, 2021
10.26434/chemrxiv.14058380.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Iron-Catalyzed Halogen Exchange of Trifluoromethyl Arenes

, Authors: Andreas Dorian, Emily Landgreen, Hayley Petras, James Shepherd, Florence Williams
Posted
Feb 19, 2021
10.26434/chemrxiv.14058332.v1
 
Category: Organic Chemistry
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Working Paper
, Title:

Total Synthesis, Isolation, Surfactant Properties, and Biological Evaluation of Ananatosides and Related Macrodilactone-Containing Rhamnolipids

, Authors: Maude Cloutier, Marie-Joëlle Prévost, Serge Lavoie, Thomas Feroldi, Marianne Piochon, Marie-Christine Groleau, Jean Legault, Sandra Villaume, Jérôme Crouzet, Stéphan Dorey, Mayri Alejandra Dìaz De Rienzo, Eric Déziel, Charles Gauthier
Posted
Feb 19, 2021
10.26434/chemrxiv.14058269.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Role of Host-Guest Interaction in Understanding Polymerisation in Metal Organic Frameworks

, Authors: Dinga Wonanke, Poppy Bennett, Lewis Caldwell, Mathew Addicoat
Posted
Feb 19, 2021
10.26434/chemrxiv.14058152.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Boosting Self-interaction of Molecular Vibrations under Ultra-strong Coupling Condition

, Authors: Akhila Kadyan, Anil Shaji, Jino George
Posted
Feb 22, 2021
10.26434/chemrxiv.14060636.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

Ab Initio Calculations of Dissociation Energy of Water Molecule on Near-Term Quantum Devices Using the Pennylane Interface to Quantum Hardware

, Authors: Ben Geoffrey A S
Posted
Feb 22, 2021
10.26434/chemrxiv.14060948.v1
 
Category: Inorganic Chemistry
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Working Paper
, Title:

Synergic Topological- and Size-Control on Phosphazane Chemistry: First Unfolded Hybrid Tetrameric Macrocycle

, Authors: Ying Sim, felix leon, Rakesh Ganguly, jesus diaz, Jack K. Clegg, Felipe Garcia
Posted
Feb 22, 2021
10.26434/chemrxiv.14060936.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Chemical Space Mapping for Multicomponent Gas Mixtures

, Authors: Airat Kotliar-Shapirov, Fedor S. Fedorov, Henni Ouerdane, Stanislav Evlashin, Albert G. Nasibulin, Keith J. Stevenson
Posted
Feb 22, 2021
10.26434/chemrxiv.14061047.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

Combined Metabolic and Chemical (CoMetChem) Labeling Using Stable Isotopes – a Strategy to Reveal Site-Specific Histone Acetylation and Deacetylation Rates by LC-MS

, Authors: Alienke van Pijkeren, Jörn Dietze, Alejandro Sánchez Brotons, Tim Lijster, Andrei Barcaru, Anna-Sophia Egger, Madlen Hotze, Frank J. Dekker, Peter Horvatovich, Barbro Melgert, Mathias Ziegler, Kathrin Thedieck, Ines Heiland, Rainer Bischoff, Marcel Kwiatkowski
Posted
Feb 22, 2021
10.26434/chemrxiv.13726843.v2
 
Category: Materials Science
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Working Paper
, Title:

Attaching Strong Auxiliary Acceptor onto B-N-Containing Multiple Resonance Framework and Achieving Highly Efficient Electroluminescence with Ultrahigh Color Purity

, Authors: Chenglong Li, Yue Wang, Yincai Xu, Zhiqaing Li, Jiaxuan Wang, Jianan Xue, Qingyang Wang, Xinliang Cai
Posted
Feb 22, 2021
10.26434/chemrxiv.14050712.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Limited Hydrolysis of Polysialic Acid by Human Neuraminidase Enzymes

, Authors: Carmanah D. Hunter, Christopher Cairo
Posted
Feb 22, 2021
10.26434/chemrxiv.14065025.v1
 
Category: Agriculture and Food Chemistry
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Working Paper
, Title:

Rapid and Accurate Discrimination Between Pure and Adulterated Commercial Indian Honey Brands Using FTIR Spectroscopy and Principal Component Analysis

, Authors: Bipin Singh, Sanmitra Barman
Posted
Feb 22, 2021
10.26434/chemrxiv.14068094.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Identification of Bioisosteric Scaffolds using Scaffold Keys

, Authors: Peter Ertl
Posted
Feb 22, 2021
10.26434/chemrxiv.13525457.v2
 
Category: Catalysis
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Working Paper
, Title:

Mixed Metal-Antimony Oxide Nanocomposites: Low pH Water Oxidation Electrocatalysts with Outstanding Durability at Ambient and Elevated Temperatures

, Authors: Luke Sibimol, Manjunath Chatti, Asha Yadav, Brittany Kerr, Jiban Kangsabanik, Tim Williams, Pavel V. Cherepanov, Akshat Tanksale, Bernt Johannessen, Douglas Macfarlane, Rosalie K. Hocking, Aftab Alam, Aswani Yella, Alexandr Simonov
Posted
Feb 22, 2021
10.26434/chemrxiv.13602764.v2
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Gausemycins A,B – Cyclic Lipoglycopeptides from Streptomyces Sp.

, Authors: Anton Tyurin, Vera Alferova, Alexander Paramonov, Maxim Shuvalov, Gulnara Kudryakova, Eugene Rogozhin, Alexander Zherebker, Vladimir Brylev, Alexey Chistov, Anna Baranova, Mikhail Biryukov, Igor Ivanov, Igor Prokhorenko, Natalia Grammatikova, Tatyana Kravchenko, Elena Isakova, Elena Mirchink, Elena Gladkikh, Elena Svirshchevskaya, Andrey Mardanov, Aleksey Beletsky, Milita Kocharovskaya, Valeriya Kulyaeva, Alexander Shashkov, Dmitry Tsvetkov, Nikolay Nifantiev, Alexander Apt, Konstantin Majorov, Svetlana Efimova, Nikolai Ravin, Evgeny Nikolaev, Olga Ostroumova, Genrikh Katrukha, Olda Lapchinskaya, Olga Dontsova, Stanislav Terekhov, Ilya Osterman, Zakhar Shenkarev, Vladimir Korshun
Posted
Feb 22, 2021
10.26434/chemrxiv.13012814.v2
 
Category: Physical Chemistry
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Working Paper
, Title:

Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes

, Authors: James Sterling, Wenjuan Jiang, Wesley M. Botello-Smith, Yun L. Luo
Posted
Feb 22, 2021
10.26434/chemrxiv.13501698.v3
 
Category: Organic Chemistry
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Working Paper
, Title:

Assembly and Application of a Low Budget Photo Reactor

, Authors: Olov Wallner, Kirill Mamonov, Florian Ortis, Dana Michel, Maurice Michel
Posted
Feb 22, 2021
10.26434/chemrxiv.14061680.v1
 
Category: Theoretical and Computational Chemistry
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Working Paper
, Title:

High-Throughput Screening and Rational Design to Drive Discovery in Molecular Water Oxidation Catalysis

, Authors: Michael Craig, Max Garcia-Melchor
Posted
Feb 22, 2021
10.26434/chemrxiv.14061965.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Direct Aromatic 18F-Labeling of Highly Reactive Tetrazines for Pretargeted Bioorthogonal PET Imaging

, Authors: Rocio Garcia-Vazquez, Umberto Maria Battisti, Jesper Tranekjær Jørgensen, Vladimir Shalgunov, Lars Hvass, Daniel L. Stares, Ida Nymann Petersen, François Crestey, Andreas Löffler, Dennis Svatunek, Jesper Langgaard Kristensen, Hannes Mikula, Andreas Kjaer, Matthias Herth
Posted
Feb 22, 2021
10.26434/chemrxiv.14068712.v1
 
Category: Polymer Science
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Working Paper
, Title:

On-Demand Transformation of Carbon Dioxide into Polymers Enabled by Comb Shaped Metallic Oligomer Catalyst

, Authors: Han Cao, Ruoyu Zhang, zhou zhou, Shunjie Liu, Youhua Tao, Fosong Wang, Xianhong Wang
Posted
Feb 22, 2021
10.26434/chemrxiv.14068763.v1
 
Category: Analytical Chemistry
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Working Paper
, Title:

NMR for Mixture Analysis: Concentration Ordered Spectroscopy

, Authors: Bin Yuan, Zhiming Zhou, Bin Jiang, Ghulam Mustafa Kamal, Xu Zhang, Conggang Li, Xin Zhou, Maili Liu
Posted
Feb 23, 2021
10.26434/chemrxiv.14069666.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

Polysulfates Block SARS-CoV-2 Uptake via Electrostatic Interactions

, Authors: Chuanxiong Nie, Paria Pouyan, Daniel Lauster, Jakob Trimpert, Yannic Kerkhoff, Gergo Peter Szekeres, Matthias Wallert, Stephan Block, Anil Kumar Sahoo, Jens Dernedde, Kevin Pagel, Benedikt B. Kaufer, Roland R. Netz, Matthias Ballauff, Rainer Haag
Posted
Feb 23, 2021
10.26434/chemrxiv.14074070.v1
 
Category: Biological and Medicinal Chemistry
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Working Paper
, Title:

The Structure-Based Design of SARS-CoV-2 Nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors

, Authors: Tomáš Otava, Michal Šála, Fengling Li, Jindřich Fanfrlík, Kanchan Devkota, Paknoosh Pakarian, Pavel Hobza, Masoud Vedadi, Evzen Boura, Radim Nencka
Posted
Feb 23, 2021
10.26434/chemrxiv.14075408.v1
 
Category: Materials Chemistry
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Working Paper
, Title:

Melt-Quenched Porous Organic Cage Glasses

, Authors: Michael C. Brand, Francesca Greenwell, Rob Clowes, Benjamin Egleston, Aiting Kai, Andrew I. Cooper, Thomas Bennett, Rebecca L. Greenaway
Posted
Feb 23, 2021
10.26434/chemrxiv.14076884.v1
 
Category: Physical Chemistry
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Working Paper
, Title:

Phospholipids in motion: High Resolution 31P NMR Field Cycling Studies

, Authors: Mary Roberts, Jingfei Cai, V.N. Sivanandam, Hanif M. Khan, Nathalie Reuter, Anne Gershenson, Alfred G. Redfield
Posted
Feb 23, 2021
10.26434/chemrxiv.13954526.v2
 
Category: Materials Chemistry
,
Working Paper
, Title:

Analysis on Electrolytic Behavior of Aluminium Dodecaboride/Alumina (AlB12/Al2O3) Composite Ceramic Powder

, Authors: Chao Wang, Berkley Yiu,