Now showing items 2161-2170 of 2188
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 ...
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 ...
Continuum-Scale Modeling of Rechargeable Batteries
(2020)
During the operation of a rechargeable battery, the electrochemical reactions occur at the interface between the electrolyte and the active material in the electrode. The electrochemical performance of such batteries is ...
Predicting the Formation Pathways and Morphologies of Oxygenated Carbonaceous Nanoparticle Precursors in Premixed Flames
(2017)
Organic nanoparticles are an inevitable by-product of combustion phenomena that have deleterious health and environmental effects. They are carcinogenic because they damage biological cells due to their small size and their ...
Biological Applications of Surfaces with Extreme Wettabilities
(2019)
Surfaces with extreme wettabilities have become an increasingly popular topic due to their wide range of applications – from simply keeping dirt off clothing to oil-water separation in the event of an oil spill. In particular, ...
Novel Photoarylation-based Controlled Polymerization of Conjugated Polymers and Its Application for Transparent Electrode
(2019)
In order to afford the production of conjugated polymers with uniform and desirable optical and electrical properties on a large scale, much effort have been devoted to light-induced polymerization. Various well-defined ...
Purely Organic Triplet Emitters: From Fundamental Molecular Design to Performance Amplification in Modern Applications
(2022)
Emissive materials are the essential functional components in many modern and emerging technologies such as organic light-emitting diodes (OLEDs), solid-state lighting, sensors, and data encryption. Metal-free purely organic ...