Results 51 to 60 of about 112,578 (285)
Molecules, 2022 The direct hydroxylation of benzene is a green and economical-efficient alternative to the existing cumene process for phenol production. However, the undesired phenol selectivity at high benzene conversion hinders its wide application.
Juanjuan Liu +3 more
doaj +1 more source
Rationalizing the regioselectivity of substituted phenols from the FERMO concept: stereoelectronic effects on protonation and functionalization [PDF]
, 2022 The relative extent of protonation in oxygen and carbon atoms and the position of protonation in carbons depend on several factors. We seek to locate the frontier molecular orbitals involved in the protonation reactions of substituted phenols using the ...
Teodorico , Ramalho +2 more
core +1 more source
Smaller is better: nanobodies meet NMR
FEBS Letters, EarlyView.Nanobodies are single‐domain antigen‐binding fragments derived from camelid heavy chain antibodies. Their small size, high stability, and exceptional specificity make nanobodies uniquely useful probes for NMR studies of protein dynamics, transient conformational states, and protein–protein interactions.
Oleg Y. Dmitriev
wiley +1 more source
InorganicsThe growing demand for gold in various high-technology applications necessitates the development of efficient and selective methods for its recovery and analysis, which can be achieved using such macrocyclic ligands as crown esters and their aza ...
Daniil N. Yarullin +4 more
doaj +1 more source
Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling [PDF]
, 2023 Predicting pKa values of small molecules has key applications in drug discovery and molecular simulation. However, current methods face challenges in rigorously interpreting experimental data and ensuring thermodynamic consistency between successive pKa
Zhengdan, Zhu +6 more
core +1 more source
FEBS Letters, EarlyView.Transient oligomers formed by intrinsically disordered proteins may be ‘invisible’ to direct detection yet remain accessible to solution NMR through equilibrium‐exchange measurements and pressure‐jump experiments. Complementary methods report on mass, stoichiometry, selected distance distributions, morphology, and internal packing.
Martin D. Gelenter, Ad Bax
wiley +1 more source
Colloids and InterfacesProton binding (i.e., charging) isotherms of halloysite nanotubes (HNT) were determined from cycled acid-base potentiometric titrations in KCl solution at constant ionic strengths (0.01, 0.10, 1.00 mol dm−3). The isotherms measured in the pH cycle from 3
Bojana Katana, Duško Čakara
doaj +1 more source
FEBS Letters, EarlyView.Vacuolar H+‐ATPase (V‐ATPase) is a multisubunit rotary proton pump that acidifies intracellular compartments. Using elastic network models, we identified conserved hinge residues that govern its large‐scale functional motions. We show that intrinsically encoded ‘soft modes’ drive critical functional transitions, including rotary catalysis and ...
Diksha Parwana +3 more
wiley +1 more source
Solvent effects on glyphosate deprotonation: DFT theoretical studies
Chemical Physics Impact, 2023 To better understand the molecular structures of glyphosate in different solvents, we have studied several possible conformations, and their relative abundances, of glyphosate and its deprotonated forms, in acetone, acetonitrile, DMSO, water, ethanol ...
Alberto G. Albesa +1 more
doaj +1 more source
How structural disorder and polyelectrolyte properties of prothymosin α enable its large interactome
FEBS Letters, EarlyView.In this review, complexes of the fully disordered and highly negatively charged prothymosin α are collected, described, and discussed. Linked to its poly‐electrostatic character, prothymosin α engages a large interactome through multiple different binding modes ranging from fully disordered complexes to short linear motif (SLiM)‐driven interactions ...
Ketty C. Tamburrini +3 more
wiley +1 more source