Archive October 2021
Category:
Materials Chemistry
, Title:
Evaluation and Data Analysis of Sol-Gel Method with Acids to Determine Most Effective Sol-Gel Method
, Authors:
Joshua Moore, Aniska Ramsay
Posted
Oct 01, 2021
Category:
Materials Science
, Title:
Anisotropic strength behavior of single-crystal TATB
, Authors:
Matthew Kroonblawd, Brad Steele, Matthew Nelms, Laurence Fried, Ryan Austin
Posted
Oct 01, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Protein pKa prediction with machine learning
, Authors:
Zhitao Cai, Fangfang Luo, Yongxian Wang, Enling Li, Yandong Huang
Posted
Oct 04, 2021
Category:
Physical Chemistry
, Title:
Separation of Enantiomers through Local Vorticity: A Screw Model Mechanism
, Authors:
Anderson Duraes, J. Daniel Gezelter
Posted
Oct 04, 2021
Category:
Physical Chemistry
, Title:
Least-Squares Fitting of Multidimensional Spectra to Kubo Lineshape Models
, Authors:
Kevin Robben, Christopher Cheatum
Posted
Oct 04, 2021
Category:
Organic Chemistry
, Title:
Total Synthesis of Himastatin
, Authors:
Kyan D'Angelo, Carly Schissel, Bradley Pentelute, Mohammad Movassaghi
Posted
Oct 04, 2021
Category:
Catalysis
, Title:
Energetic basis of excited-state enzyme design and function
, Authors:
Chi-Yun Lin, Matthew Romei, Irimpan Mathews, Steven Boxer
Posted
Oct 05, 2021
Category:
Physical Chemistry
, Title:
Spontaneous and Ion-Specific Formation of Inverted Bilayers at Air/Aqueous Interface
, Authors:
Srikanth Nayak, Raju R Kumal, Ahmet Uysal
Posted
Oct 05, 2021
Category:
Physical Chemistry
, Title:
Absolute optical chiral analysis using cavity-enhanced polarimetry
, Authors:
Lykourgos Bougas, joseph byron, Dmitry Budker, Jonathan Williams
Posted
Oct 05, 2021
Category:
Biological and Medicinal Chemistry
, Title:
Substituents of life: The most common substituent patterns present in natural products
, Authors:
Peter Ertl
Posted
Oct 05, 2021
Category:
Analytical Chemistry
, Title:
The transfer and persistence of metals in latent fingermarks
, Authors:
Rhiannon Boseley, Daryl Howard, Mark Hackett, Simon Lewis
Posted
Oct 05, 2021
Category:
Biological and Medicinal Chemistry
, Title:
The Volumetric Properties of the Transition State Ensemble for Protein Folding
, Authors:
Samvel Avagyan, George Makhatadze
Posted
Oct 06, 2021
Category:
Physical Chemistry
, Title:
The repetitive local sampling and the local distribution theory
, Authors:
PU TIAN
Posted
Oct 06, 2021
Category:
Polymer Science
, Title:
Biodegradable polysarcosine with inserted alanine residues: Synthesis and enzymolysis
, Authors:
Peng Zhou, Jun Ling
Posted
Oct 07, 2021
Category:
Catalysis
, Title:
Manganese Catalyzed Reformation of Ethylene Glycol to Glycolic acid and Lactic Acid
, Authors:
Satyadeep Waiba, BIplab Maji
Posted
Oct 08, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Optimization of a Range-Separated UW12 Hybrid Functional
, Authors:
Zack Williams, Frederick Manby
Posted
Oct 08, 2021
Category:
Polymer Science
, Title:
All-atomistic molecular dynamics study of the glass transition of amorphous polymers
, Authors:
Zhiye Tang, Susumu Okazaki
Posted
Oct 08, 2021
Category:
Physical Chemistry
, Title:
The Two Faces of the Liquid Ordered Phase
, Authors:
Itay Schachter, Riku Paananen, Balazs Fabian, Piotr Jurkiewicz, Matti Javanainen
Posted
Oct 08, 2021
Category:
Organic Chemistry
, Title:
Synthesis of (–)-Kopsifoline A and (+)-Kopsifoline E
, Authors:
In-Soo Myeong, Nadide Hazal Avci, Mohammad Movassaghi
Posted
Oct 11, 2021
Category:
Catalysis
, Title:
Human Carboxylesterase 2 in Cocaine Metabolism
, Authors:
Pedro R. Figueiredo, Ricardo D. González, Alexandra T.P. Carvalho
Posted
Oct 11, 2021
Category:
Physical Chemistry
, Title:
CurD: A Tool for Diffusion Analyses on Curved Membranes
, Authors:
Balázs Fábián, Matti Javanainen
Posted
Oct 12, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Hyperfine Coupling Constants in Local Exact Two-Component Theory
, Authors:
Yannick J. Franzke, Jason M. Yu
Posted
Oct 12, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Liquid water simulation using hydrogen bond corrected SCAN and neural network potentials.
, Authors:
Timothy Duignan
Posted
Oct 12, 2021
Category:
Organic Chemistry
, Title:
Highly Selective Anion Recognition, Extraction and Deep Removal Using a Superphane
, Authors:
Wei Zhou, Aimin Li, Qing He
Posted
Oct 12, 2021
Category:
Analytical Chemistry
, Title:
Data Synchronization in Operando Gas and Heating TEM
, Authors:
Fan Zhang, Merijn Pen, Ronald G. Spruit, Hugo Perez Garza, Wei Liu, Dan Zhou
Posted
Oct 12, 2021
Category:
Organic Chemistry
, Title:
Infinitene: A Helically Twisted Figure-Eight [12]Circulene Topoisomer
, Authors:
Kenichiro Itami, Maciej Krzeszewski, Hideto Ito
Posted
Oct 13, 2021
Category:
Analytical Chemistry
, Title:
Fragment-based Sequential Translation for Molecular Optimization
, Authors:
Benson Chen, Xiang Fu, Regina Barzilay, Tommi Jaakkola
Posted
Oct 13, 2021
Category:
Chemical Engineering and Industrial Chemistry
, Title:
Integration of biowaste into chemical reaction networks
, Authors:
Adarsh Arun, Jana Weber, Zhen Guo, Alexei Lapkin
Posted
Oct 13, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Multi-State Density Functional Theory for Ground and Excited States
, Authors:
Yangyi Lu, Jiali Gao
Posted
Oct 15, 2021
Category:
Organic Chemistry
, Title:
Radical Ring-Opening of Oxetanes Enabled by Co-Catalysis
, Authors:
Aleksandra Potrząsaj, Michał Ociepa, Wojciech Chaładaj, Dorota Gryko
Posted
Oct 15, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Prediction of Protein pKa with Representation Learning
, Authors:
Hatice Gokcan, Olexandr Isayev
Posted
Oct 15, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Mechanistic Insights into the Rhodium-Catalyzed Aryl C–H Carboxylation
, Authors:
Deguang Liu
Posted
Oct 15, 2021
Category:
Theoretical and Computational Chemistry
, Title:
Self-Supervised Learning for Molecular Property Prediction
, Authors:
Laurent Dillard
Posted
Oct 15, 2021
Category:
Biological and Medicinal Chemistry
, Title:
Enzyvitands: versatile evolvable colorimetric chembioreceptors
, Authors:
Thibaud Rossel, zhang Bing, Raphael Gobat
Posted
Oct 18, 2021
Category:
Organic Chemistry
, Title:
Cross-conjugation controls the stabilities and photophysical properties of heteroazoarene photoswitches
, Authors:
Daniel Adrion, Steven Lopez
Posted
Oct 18, 2021
Category:
Polymer Science
, Title:
Tunable and Recyclable Polyesters from CO2 and Butadiene
, Authors:
Rachel Rapagnani, Rachel Dunscomb, Alexandra Fresh, Ian Tonks
Posted
Oct 18, 2021
Category:
Catalysis
, Title:
Chemodivergent Organolanthanide Catalyzed C-H a-Mono-1 Borylation of Azines
, Authors:
Jacob O. Rothbaum, Alessandro Motta, Yosi Kratish, Tobin Marks
Posted
Oct 18, 2021
Category:
Analytical Chemistry
, Title:
The Ion Pair Thermal Model of MALDI MS
, Authors:
Shiyue Fang
Posted
Oct 19, 2021
Category:
Catalysis
, Title:
Understanding the reaction mechanism of Kolbe electrolysis on Pt anodes
, Authors:
Sihang Liu, Nitish Govindarajan, Hector Prats, Karen Chan
Posted
Oct 19, 2021
Category:
Organic Chemistry
, Title:
Electron Density Geometry and the Quantum Theory of Atoms in Molecules
, Authors:
Timothy Wilson, Anastassia Alexandrova, Mark Eberhart
Posted
Oct 19, 2021