Now showing items 1321-1330 of 1362
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 ...
NetCellMatch: Multiscale Network-Based Matching of Cancer Cell Lines to Patients Using Graphical Wavelets
(Wiley Periodicals, Inc., 2022-12)
Cancer cell lines serve as model in vitro systems for investigating therapeutic interventions. Recent advances in high-throughput genomic profiling have enabled the systematic comparison between cell lines and patient tumor ...
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 ...
Superior Metal-Organic Framework Activation with Dimethyl Ether
(Wiley Periodicals, Inc., 2022-12-23)
Metal–organic frameworks (MOFs) are demonstrated to be readily activated by treatment with the low surface tension, low boiling point solvent dimethyl ether (DME). The mildness of the method enables access to high surface ...
Chiral chromatography and surface chirality of carbon nanoparticles
(Wiley Periodicals, Inc., 2022-12)
Chiral carbon nanoparticles (CNPs) represent a rapidly evolving area of research for optical and biomedical technologies. Similar to small molecules, applications of CNPs as well as fundamental relationships between their ...
Transparent and Self-Healing Elastomers for Reconfigurable 3D Materials
(Wiley Periodicals, Inc., 2022-12)
Transparent soft materials are widely used in applications ranging from packaging to flexible displays, wearable devices, and optical lenses. Nevertheless, soft materials are susceptible to mechanical damage, leading to ...
Theoretical and Experimental Investigation of Functionalized Cyanopyridines Yield an Anolyte with an Extremely Low Reduction Potential for Nonaqueous Redox Flow Batteries
(Wiley Periodicals, Inc., 2022-12-15)
Cyanopyridines and cyanophenylpyridines were investigated as anolytes for nonaqueous redox flow batteries (RFBs). The three isomers of cyanopyridine are reduced at potentials of −2.2 V or lower vs. ferrocene+/0 (Fc+/0), ...