Now showing items 3501-3510 of 3522
Sustainable Green Polymerizations and End-of-Life Treatment of Polymers
(Wiley Periodicals, Inc., 2022-07)
Computational Identification and Experimental Demonstration of High-Performance Methane Sorbents
(Wiley Periodicals, Inc., 2022-06-20)
Remarkable methane uptake is demonstrated experimentally in three metal-organic frameworks (MOFs) identified by computational screening: UTSA-76, UMCM-152 and DUT-23-Cu. These MOFs outperform the benchmark sorbent, HKUST-1, ...
Segmental and interfacial dynamics quantitatively determine ion transport in solid polymer composite electrolytes
(John Wiley & Sons, Inc., 2022-05-20)
Solid polymer‐ceramic composite electrolytes (PCEs) have attracted vast attention for developing solid‐state batteries. However, slow ion transport at ambient temperature impedes unlocking their potential. Improving ionic ...
A Solid Alkylation: Highly Recyclable, Flow Chemistry-Ready, Resin-Supported Thioimidazoliums Alkylate Sulfur-Centered Nucleophiles
(National Institute of Advanced Industrial ScienceWiley Periodicals, Inc., 2022-09-20)
A series of readily regenerable thioimidazolium-based ionic liquids, which can transfer alkyl groups to nucleophiles, are immobilized on crosslinked polystyrene beads. Different alkyl groups can be loaded onto the resin, ...
Dual‐detection approach for a charge variant analysis of monoclonal antibody combination products using imaged capillary isoelectric focusing
(Wiley Periodicals, Inc.Springer Science+Business Media, 2022-09)
The clinical benefits of treatments with a combination of two or more therapeutic monoclonal antibodies (mAbs) have emerged in recent years. Imaged capillary isoelectric focusing is a frequently used technology in the ...
Single-Step Synthesis of Atropisomers with Vicinal C−C and C−N Diaxes by Cobalt-Catalyzed Atroposelective C−H Annulation
(Wiley Periodicals, Inc., 2022-09-26)
The atroposelective synthesis of atropisomers with vicinal diaxes remains rare and challenging, due to the steric influence between the two axes and their unique topology. Herein, we disclose a single-step construction of ...
The numerical evaluation of Slater integrals on graphics processing units
(John Wiley & Sons, Inc., 2022-09-30)
This article presents SlaterGPU, a graphics processing unit (GPU) accelerated library that uses OpenACC to numerically compute Slater- type orbital (STO) integrals. The electron repulsion integrals (ERI) are computed under ...
Future directions in physiochemical modeling of the thermodynamics of polyelectrolyte coacervates
(John Wiley & Sons, Inc., 2022-05)
We review theories of polyelectrolyte (PE) coacervation, which is the spontaneous association of oppositely charged units of PEs and phase separation into a polymer-dense phase in aqueous solution. The simplest theories ...
Conformer-RL: A deep reinforcement learning library for conformer generation
(John Wiley & Sons, Inc., 2022-10-15)
Conformer-RL is an open-source Python package for applying deep reinforcement learning (RL) to the task of generating a diverse set of low-energy conformations for a single molecule. The library features a simple interface ...
Formal Cycloadditions Driven by the Homolytic Opening of Strained, Saturated Ring Systems
(Wiley Periodicals, Inc., 2023-01-23)
The field of strain-driven, radical formal cycloadditions is experiencing a surge in activity motivated by a renaissance in free radical chemistry and growing demand for sp3-rich ring systems. The former has been driven ...