Now showing items 3121-3130 of 3161
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 ...
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 ...
Methodological Advances for Drug Discovery and Protein Engineering
(2018)
Designing and engineering molecules that have specified properties not only test our understanding of nature but also play an important role in improving both human health and industrial productivity. Two such examples are ...
A Systematic Informatics Approach to Synthetic Chemistry
(2023)
The navigation of chemical space through synthesis is a core principle behind drug discovery. Traditional medicinal chemistry programs rely on a few, well-developed reactivities to create pharmacophore derivatives and ...
Understanding the Optical and Photophysical Properties of Organic and Hybrid Macromolecules and Polymers for Solar Cell Application
(2021)
Organic solar cell materials represent a better sustainable alternative relative to inorganic materials in terms of lower cost, ease of large-scale processing, better absorptivity, ease of tunability, and unique flexibility ...
Synthesis and Characterization of Microporous Coordination Polymers as Adsorbents for CO2 Capture.
(2012)
The accumulation of CO2 in the Earth’s atmosphere is an important environmental issue, and coal-fired power plants are significant contributors to anthropogenic CO2 emissions. The capture of CO2 from these facilities via ...