This study investigates the intricate dynamics underlying lipase performance in organic solvents using comprehensive molecular dynamics (MD) simulations, supported by enzyme kinetics data. The study reveals that a single criterion can neither predict nor explain lipase activity in organic solvents, indicating the need for a comprehensive approach. Three lipases were included in this study: lipase B (CALB), lipase (RML), and lipase (TLL). The lipases were investigated in acetonitrile, methyl -butyl ether, and hexane with increasing water activity. Computational investigations reveal that CALB's activity is negatively correlated to water cluster formations on its surface. In contrast, TLL's and RML's activity profiles show no negative effects of high water activity. However, TLL's and RML's activities are highly correlated to the conformation and stability of their active site regions. This study may pave the way for tailored applications of lipases, highlighting some of the factors that should be considered when lipase-catalyzed reactions are designed.
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http://dx.doi.org/10.1021/acs.jpcb.4c05738 | DOI Listing |
Angew Chem Int Ed Engl
January 2025
Universidad Complutense de Madrid Facultad de Ciencias Quimicas, Inorganic Chemistry Department, 28034, Madrid, SPAIN.
Achieving high battery performance from low-cost, easily synthesisable electrode materials is crucial for advancing energy storage technologies. Metal organic frameworks (MOFs) combining inexpensive transition metals and organic ligands are promising candidates for high-capacity cathodes. Iron-chloranilate-water frameworks are herein reported to be produced in aqueous media under mild conditions.
View Article and Find Full Text PDFNat Commun
January 2025
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, China.
Developing active-layer systems with both high performance and mechanical robustness is a crucial step towards achieving future commercialization of flexible and stretchable organic solar cells (OSCs). Herein, we design and synthesize a series of acceptors BTA-C6, BTA-E3, BTA-E6, and BTA-E9, featuring the side chains of hexyl, and 3, 6, and 9 carbon-chain with ethyl ester end groups respectively. Benefiting from suitable phase separation and vertical phase distribution, the PM6:BTA-E3-based OSCs processed by o-xylene exhibit lower energy loss and improved charge transport characteristic and achieve a power conversion efficiency of 19.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
College of Ocean Food and Biological Engineering, Jimei University, Xiamen 361021, China; Fujian Provincial Key Laboratory of Food Microbiology and Enzyme Engineering, Xiamen 361021, China; Research center of food biotechnology of Xiamen city, Xiamen, Fujian 361021, China. Electronic address:
In this study, polyethylene glycol 200 (PEG200) was employed as hydrogen bond acceptor, while organic acids served as hydrogen bond donors, to formulate poly-deep eutectic solvents (PDESs), which were utilized to pretreat tea stem. Specially, combining PEG200 and oxalic acid (OA) exhibited a notably high cellulose retention (82.03 %) and most efficient hemicellulose (97.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Department of Chemistry, Mississippi State University, Mississippi State, MS 39762, USA.
The inherent heterogeneity, poor compatibility with polymers, and dark color of lignin limit its application in composites. In this study, original lignin (OL) was fractionated sequentially using four green organic solvents to obtain lignin fractions with different chemical structures. These well-defined lignin fractions were then blended with polybutylene succinate (PBS) to fabricate biocomposites.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Department of Materials Science and Engineering, University of Wisconsin─Madison, Madison, Wisconsin 53706, United States.
Highly ion-conductive solid electrolytes of nonlithium ions (sodium or potassium ions) are necessary for pursuing a more cost-effective and sustainable energy storage. Here, two classes of sulfonated -NH-linked covalent organic frameworks (COFs), specifically designed for sodium or potassium ion conduction (named i-COF-2 (Na or K) and i-COF-3 (Na or K)), were synthesized through a straightforward, one-step process using affordable starting materials. Remarkably, these COFs demonstrate high ionic conductivity at room temperature─3.
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