Dynamic kinetic resolution (DKR) of various aromatic chlorohydrins with the use of Pseudomonas cepacia lipase (PS-C "Amano" II) and ruthenium catalyst 1 afforded chlorohydrin acetates in high yields and high enantiomeric excesses. These optically pure chlorohydrin acetates are useful synthetic intermediates and can be transformed to a range of important chiral compounds.
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http://dx.doi.org/10.1021/ol801749z | DOI Listing |
J Phys Chem A
January 2025
School of Applied Science and Humanities, Haldia Institute of Technology, ICARE Complex, Haldia 721657, India.
This study explores the reactivity of a new intermolecular P/B frustrated Lewis pair in the context of dinitrogen activation through a push-pull mechanism. The ab initio molecular dynamics model known as atom-centered density matrix propagation plays a pivotal role in elucidating the weakly associated encounter complex. In-depth analysis, mainly through intrinsic reaction coordinate calculations, supports a single-step mechanism.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
National University of Singapore, Chemistry, 3 Science Drive 3, 117543, Singapore, SINGAPORE.
Achieving high ionic conductivity and stable performance at low temperatures remains a significant challenge in sodium-metal batteries (SMBs). In this study, we propose a novel electrolyte design strategy that elucidates the solvation structure-function relationship within mixed solvent systems. A mixture of diglyme and 1,3-dioxolane was developed to optimize the solvation structure towards superior low-temperature electrolyte.
View Article and Find Full Text PDFNat Commun
January 2025
Wuhan National Laboratory for Optoelectronics, School of Optoelectronic Science and Engineering, Huazhong University of Science and Technology, Wuhan, PR China.
Active and stable electrocatalysts are essential for hydrogen production from alkaline water electrolysis. However, precisely controlling the interaction between electrocatalysts and reaction intermediates (HO*, H*, and *OH) remains challenging. Here, we demonstrate an yttrium-doped NiMo-MoO heterogenous electrocatalyst that efficiently promotes water dissociation and accelerates the intermediate adsorption/desorption dynamics in alkaline electrolytes.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Laboratory of Applied Chemistry and Environment, Faculty of Sciences, Ibn Zohr University, Agadir 80000, Morocco. Electronic address:
This research explores the biosorption of Rhodamine B (Rd-B) and Sunset Yellow (SY) dyes using cross-linked chitosan-alginate (Ch-A) biocomposite beads, combining experimental investigations with theoretical studies to elucidate the biosorption mechanisms. The biocomposite beads were synthesized through an eco-friendly cross-linking method, and their structural properties were characterized using various characterization techniques. Complementary theoretical studies using Monte Carlo (MC) simulations and molecular dynamics (MD) calculations provided insights into the molecular interactions between the dyes and the biocomposite beads.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Guangxi Key Laboratory of Green Chemical Materials and Safety Technology, College of Petroleum and Chemical Engineering, Beibu Gulf University, Qinzhou 535011, China. Electronic address:
Frequent oil spills have caused increasingly severe pollution of marine water bodies. As a result, exploring green and efficient aerogels to tackles oil pollution is in high demand. In this work, a unique strategy for preparing all-biomass aerogel was innovatively proposed.
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