Now showing items 81-90 of 97
Future directions in physiochemical modeling of the thermodynamics of polyelectrolyte coacervates
(John Wiley & Sons, Inc., 2022-05)
We review theories of polyelectrolyte (PE) coacervation, which is the spontaneous association of oppositely charged units of PEs and phase separation into a polymer-dense phase in aqueous solution. The simplest theories ...
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 ...
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 ...
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 ...
Top-down enrichment of oil field microbiomes to limit souring and control oil composition during extraction operations
(John Wiley & Sons, Inc., 2022-12)
Microbial processes sour oil, corrode equipment, and degrade hydrocarbons at an annual global cost to the oil and gas industry of nearly $2 billion. However, top-down control of these microbial processes can reduce their ...
Photochemical C(sp2)−H Pyridination via Arene–Pyridinium Electron Donor–Acceptor Complexes
(Wiley Periodicals, Inc., 2022-11-14)
This report describes the development of a photochemical method for C(sp2)−H pyridination that leverages the photoexcitation of electron donor–acceptor (EDA) complexes. Experimental and DFT studies show that black light ...
Manning condensation in ion exchange membranes: A review on ion partitioning and diffusion models
(John Wiley & Sons, Inc., 2022-11-01)
The rational design of ion exchange membranes (IEMs) is becoming more pertinent as their usage becomes broader and as their staple applications (i.e., electrodialysis, flow batteries, and fuel cells) improve in commercial ...
Identification of regulatory variants of carboxylesterase 1 (CES1): A proof-of-concept study for the application of the Allele-Specific Protein Expression (ASPE) assay in identifying cis-acting regulatory genetic polymorphisms
(Wiley Periodicals, Inc., 2023-01)
It is challenging to study regulatory genetic variants as gene expression is affected by both genetic polymorphisms and non-genetic regulators. The mRNA allele-specific expression (ASE) assay has been increasingly used for ...
Sustainable decision making for chemical process systems via dimensionality reduction of many objective problems
(John Wiley & Sons, Inc., 2023-02)
Recent global events and the rise of sustainable investing have made clear that the chemical and energy industry must consider sustainability goals beyond profit maximization to remain competitive. Multiobjective optimization ...