Now showing items 71-80 of 100
Triggered Reversible Disassembly of an Engineered Protein Nanocage**
(Wiley Periodicals, Inc., 2021-11-15)
Protein nanocages play crucial roles in sub- cellular compartmentalization and spatial control in all domains of life and have been used as biomolecular tools for applications in biocatalysis, drug delivery, and ...
Accelerating the 3D reference interaction site model theory of molecular solvation with treecode summation and cut-offs
(John Wiley & Sons, Inc., 2022-07-05)
The 3D reference interaction site model (3D-RISM) of molecular solvation is a powerful tool for computing the equilibrium thermodynamics and density distributions of solvents, such as water and co-ions, around solute ...
Total Synthesis of (+)-Cochlearol B by an Approach Based on a Catellani Reaction and Visible-Light-Enabled [2+2] Cycloaddition**
(SpringerWiley Periodicals, Inc., 2022-08-01)
A 14-step synthesis of (+)-cochlearol B is reported. This renoprotective meroterpenoid features a unique core structure containing a densely substituted cyclobutane ring with three stereocenters. Our strategy employed an ...
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 ...