Now showing items 2171-2180 of 2228
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, ...
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 ...
Novel Methods for Rheological Characterization of Polymers and Polymeric Biofilms.
(2014)
This dissertation reports that environmental conditions significantly impact the bulk mechanical properties of Staphylococcus epidermidis bacterial biofilms. Bacterial biofilms are commonly found as infections of implanted ...
Inverse Design and Analysis of Crystallization Pathways of Colloidal Systems
(2019)
The ability to produce particles on the nano-scale that self-assemble into soft materials with specifically targeted properties is a promising avenue for a completely new class of materials with novel applications. New ...
Heterogeneous Electrocatalysts for Aqueous Nitrate Reduction and Nitrogen Chemistry
(2023)
Humans contribute more fixed nitrogen than can be reduced naturally. Understanding nitrogen chemistry is essential to balancing the global nitrogen cycle. An imbalanced nitrogen cycle raises levels of nitrate (NO3–) in ...