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Epoxy-Affixed ZIF-8/CS/Cellulase: a Sustainable Approach for Hydrolysis of Agricultural Waste to Reducing Sugars.
Appl Biochem Biotechnol
January 2025
Department of Botany, Maharshi Dayanand University, Rohtak, 124001, India.
Cellulase was effectively immobilized onto an epoxy-bound chitosan-modified zinc metal-organic framework (epoxy/ZIF-8/CS/cellulase) support, yielding a conjugation rate of 0.64 ± 0.02 mg/cm2 and retaining 80.
View Article and Find Full Text PDFShort linear peptide motifs play important roles in cell signaling. They can act as modification sites for enzymes and as recognition sites for peptide binding domains. SH2 domains bind specifically to tyrosine-phosphorylated proteins, with the affinity of the interaction depending strongly on the flanking sequence.
View Article and Find Full Text PDFConcerted or Stepwise? An Experimental and Computational Study to Reveal the Mechanistic Change as a Result of the Substituent Effects.
J Org Chem
January 2025
Department of Chemistry and Chemical Biology, University of California, Merced, California 95343, United States.
This study investigates the Cope elimination reaction, focusing on the mechanistic shift between concerted and stepwise pathways influenced by substituent effects. Experimental approaches, including kinetic isotope effects (KIEs) and linear free energy relationships (LFERs), alongside density functional theory (DFT) computations, were employed to explore the influence of substituents on the reaction kinetics and pathways. Our findings reveal temperature- and substituent-dependent partitioning between the concerted syn-β elimination and the stepwise E1cB mechanism, providing deeper insights into the mechanistic diversity of elimination reactions.
View Article and Find Full Text PDFExploring pyrazolines as potential inhibitors of NSP3-macrodomain of SARS-CoV-2: synthesis and in silico analysis.
Sci Rep
January 2025
Bioinformatics Centre, Savitribai Phule Pune University, Pune, Maharashtra, 411007, India.
COVID-19 has proved to be a global health crisis during the pandemic, and the emerging JN.1 variant is a potential threat. Therefore, finding alternative antivirals is of utmost priority.
View Article and Find Full Text PDFAdjusting Hirshfeld charge of TEMPO catholytes for stable all-organic aqueous redox flow batteries.
Nat Commun
January 2025
Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui, China.
2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) derivatives are typical catholytes in aqueous organic redox flow batteries (AORFBs), but reported lifetime of them is limited. We find that the increase of Hirshfeld charge decreases the Gibbs free energy change (ΔG) values of side reactions of TEMPO, a near-linear relationship, and then exacerbates their degradation. Here we predict and synthesize a TEMPO derivative, namely TPP-TEMPO, by analyzing the Hirshfeld charge.
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