Results 81 to 90 of about 147,809 (300)
Hidden force opposing ice compression
, 2012 Coulomb repulsion between the unevenly-bound bonding and nonbonding electron pairs in the O:H-O hydrogen-bond is shown to originate the anomalies of ice under compression.
Sun, Chang Q, Zhang, Xi, Zheng, Weitao
core +1 more source
Probing the mechanism of electron capture and electron transfer dissociation using tags with variable electron affinity [PDF]
, 2009 Electron capture dissociation (ECD) and electron transfer dissociation (ETD) of doubly protonated electron affinity (EA)-tuned peptides were studied to further illuminate the mechanism of these processes. The model peptide FQpSEEQQQTEDELQDK, containing a
Beauchamp, J. L. +5 more
core +2 more sources
Advanced Functional Materials, EarlyView.We fabricated a biomimetic dendrimer‐modified thin‐film nanocomposite membrane with a coordination‐assisted ion‐selective interface. pH‐responsive polypeptide sites preferentially bind Mg2+ and promote Li+ permeation, as predicted by density functional theory calculations of metal‐ligand interactions.
Mehrasa Yassari +7 more
wiley +1 more source
Isotope Effects on Chemical Shifts in the Study of Intramolecular Hydrogen Bonds
Molecules, 2015 The paper deals with the use of isotope effects on chemical shifts in characterizing intramolecular hydrogen bonds. Both so-called resonance-assisted (RAHB) and non-RAHB systems are treated. The importance of RAHB will be discussed.
Poul Erik Hansen
doaj +1 more source
Novel Functional Materials via 3D Printing by Vat Photopolymerization
Advanced Functional Materials, EarlyView.This Perspective systematically analyzes strategies for incorporating functionalities into 3D‐printed materials via Vat Photopolymerization (VP). It explores the spectrum of achievable functionalities in recently reported novel materials—such as conductive, energy‐storing, biodegradable, stimuli‐responsive, self‐healing, shape‐memory, biomaterials, and
Sergey S. Nechausov +3 more
wiley +1 more source
Acta Crystallographica Section E, 2011 In the essentially planar (r.m.s. deviation = 0.023 Å) title compound, C10H6Br2O, an intramolecular O—H...Br hydrogen bond generates an S(5) ring.
Abdul Rauf Raza +2 more
doaj +1 more source
Proton-Coupled Electron Flow in Protein Redox Machines [PDF]
, 2010 Electron transfer (ET) reactions are fundamental steps in biological redox processes. Respiration is a case in point: at least 15 ET reactions are required to take reducing equivalents from NADH, deposit them in O_2, and generate the electrochemical ...
Dempsey, Jillian L. +2 more
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Hydrogen bonds and asymmetrical heat diffusion in a-Helices. A Computational Analysis
, 2015 In this work, we report the heat rectifying capability of a-helices. Using molecular dynamics simulations we show an increased thermal diffusivity in the C-Terminal to N-Terminal direction of propagation.
Gutierrez, Gonzalo +1 more
core +2 more sources
Tyrosine-glycine revisited : resolving the discrepancy between theory and experiment [PDF]
, 2015 LFH acknowledges the Engineering and Physical Sciences Research Council for studentship support through the Doctoral Training Account scheme.Energies of 20 conformers of the Tyr-Gly dipeptide were computed using DSD-PBEP86-D3BJ/aug-cc-VTZ, with ...
Holroyd, Leo Frederick +1 more
core +1 more source
Mechanically Stable and Tunable Photoactivated Peptide‐Based Hydrogels for Soft Tissue Adhesion
Advanced Functional Materials, EarlyView.A collagen‐like peptide hydrogel platform is developed using supramolecular self‐assembly and light‐triggered crosslinking. It creates mechanically stable, tunable hydrogels with cytocompatibility and biodegradability, making them potential soft tissue adhesives.
Alex Ross +8 more
wiley +1 more source