Results 31 to 40 of about 230,876 (232)

Protonation Equilibrium in the Active Site of the Photoactive Yellow Protein

Molecules, 2021
The role and existence of low-barrier hydrogen bonds (LBHBs) in enzymatic and protein activity has been largely debated. An interesting case is that of the photoactive yellow protein (PYP).
Pablo Campomanes, Stefano Vanni
doaj   +1 more source

Molecular probe dynamics reveals suppression of ice-like regions in strongly confined supercooled water. [PDF]

PLoS ONE, 2012
The structure of the hydrogen bond network is a key element for understanding water's thermodynamic and kinetic anomalies. While ambient water is strongly believed to be a uniform, continuous hydrogen-bonded liquid, there is growing consensus that ...
Debamalya Banerjee, Shrivalli N Bhat, Subray V Bhat, Dino Leporini   +3 more
doaj   +1 more source

Proton-mediated photoprotection mechanism in photosystem II

Frontiers in Plant Science, 2022
Photo-induced charge separation, which is terminated by electron transfer from the primary quinone QA to the secondary quinone QB, provides the driving force for O2 evolution in photosystem II (PSII).
Yu Sugo, Hiroshi Ishikita, Hiroshi Ishikita   +2 more
doaj   +1 more source

Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations [PDF]

, 2011
We report results of quantum mechanics (QM) mechanistic studies of Nafion membrane degradation in a polymer electrolyte membrane (PEM) fuel cell. Experiments suggest that Nafion degradation is caused by generation of trace radical species (such as OH ...
Goddard, William A., III, Liu, Wei-Guang, Merinov, Boris V., Sha, Yao, Shirvanian, Pezhman, Yu, Ted H.   +5 more
core   +1 more source

Hydrogen Bonding Constrains Free Radical Reaction Dynamics at Serine and Threonine Residues in Peptides [PDF]

, 2014
Free radical-initiated peptide sequencing (FRIPS) mass spectrometry derives advantage from the introduction of highly selective low-energy dissociation pathways in target peptides.
Adamson J. T., Anh N. T., Anusiewicz I., Anusiewicz I., Bagheri-Majdi E., Bakhtiar R., Barlow C. K., Barlow C. K., Bogdanov B., Chamot-Rooke J., Chang Ho Sohn, Chen X., Chu I. K., Cooper H. J., Cui W., Daniel A. Thomas, Diedrich J. K., Diedrich J. K., Frison G., Fu A.-p., Gronert S., Hodyss R., Hopkinson A. C., Håkansson K., Iavarone A. T., Izgorodina E. I., J. L. Beauchamp, Jinshan Gao, Ke Y., Kim T.-Y., Kruger N. A., Kruger N. A., Lam A. K. Y., Laskin J., Laskin J., Laskin J., Lee J., Lee J., Lee M., Lee M., Little D. P., Ly T., Ly T., Ly T., Marzluff E. M., Marzluff E. M., Masterson D. S., Miao R., Moore B., Moore B. N., Osburn S., Paizs B., Petrotchenko E. V., Ryzhov V., Sawicka A., Sawicka A., Schaftenaar G., Senko M. W., Shen Y., Shi S. D. H., Shukla A. K., Simon M. D., Simons J., Siuti N., Skurski P., Sobczyk M., Sobczyk M., Sobczyk M., Sobczyk M., Sohn C. H., Sun Q., Sun Q., Syka J. E. P., Syrstad E., Syrstad E. A., Syrstad E. A., Tao Y., Thompson M. S., Tureček F., Tureček F., Tureček F., Tureček F., Tureček F., Wee S., Wee S., Wee S., Wendler K., Xia Y., Yin H., Zhang L., Zhang X., Zhang X., Zhao Y., Zhao Y., Zhao Y., Zubarev R. A., Zubarev R. A., Zubarev R. A., Zubarev R. A.   +98 more
core   +1 more source

Low-barrier hydrogen bonds in enzyme cooperativity

Nature, 2019
The underlying molecular mechanisms of cooperativity and allosteric regulation are well understood for many proteins, with haemoglobin and aspartate transcarbamoylase serving as prototypical examples1,2. The binding of effectors typically causes a structural transition of the protein that is propagated through signalling pathways to remote sites and ...
Fabian Rabe von Pappenheim, Fabian Rabe von Pappenheim, Kai Tittmann, Kai Tittmann, Viktor Sautner, Viktor Sautner, Lisa-Marie Funk, Lisa-Marie Funk, Jon Uranga, Ricardo A. Mata, Benjamin Schröder, Shaobo Dai, Shaobo Dai, Mirko Paulikat   +13 more
openaire   +5 more sources

Isotopic fractionation in proteins as a measure of hydrogen bond length [PDF]

, 2015
If a deuterated molecule containing strong intramolecular hydrogen bonds is placed in a hydrogenated solvent it may preferentially exchange deuterium for hydrogen.
Athokpam, Bijyalaxmi, McKenzie, Ross H., Ramesh, Sai   +2 more
core   +2 more sources

On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions [PDF]

Proceedings of the National Academy of Sciences, 1998
The electronic nature of low-barrier hydrogen bonds (LBHBs) in enzymatic reactions is discussed based on combined low temperature neutron and x-ray diffraction experiments and on high levelab initiocalculations by using the model substrate benzoylacetone.
Schiøtt, Birgit, Iversen, B.B., Madsen, G.K.H., Larsen, F.K., Bruice, T.C.   +4 more
openaire   +3 more sources

Superprotonic phase transition of CsHSO4: A molecular dynamics simulation study [PDF]

, 2005
The superprotonic phase transition (phase II --> phase I; 414 K) of cesium hydrogen sulfate, CsHSO4, was simulated using molecular dynamics with the "first principles" MSXX force field (FF).
Chisholm, Calum R. I., Goddard, William A., III, Haile, Sossina M., Jang, Yun Hee   +3 more
core   +1 more source

Efficient urea electrosynthesis from carbon dioxide and nitrate via alternating Cu–W bimetallic C–N coupling sites

Nature Communications, 2023
Electrocatalytic urea synthesis is an emerging alternative technology to the traditional energy-intensive industrial urea synthesis protocol. Novel strategies are urgently needed to promote the electrocatalytic C–N coupling process and inhibit the side ...
Yilong Zhao, Yunxuan Ding, Wenlong Li, Chang Liu, Yingzheng Li, Ziqi Zhao, Yu Shan, Fei Li, Licheng Sun, Fusheng Li   +9 more
doaj   +1 more source