Results 1 to 10 of about 207,194 (147)

Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein [PDF]

Computational and Structural Biotechnology Journal, 2016
Photoactive yellow protein (PYP) has a characteristic hydrogen bond (H bond) between p-coumaric acid chromophore and Glu46, whose OH bond length has been observed to be 1.21 Å by the neutron diffraction technique [Proc. Natl. Acad. Sci.
Yusuke Kanematsu, Hironari Kamikubo, Mikio Kataoka, Masanori Tachikawa   +3 more
doaj   +4 more sources

DFT Investigation into the Role of Superbases as the Auxiliary Groups in CO₂ Reduction [PDF]

Molecules
Non-metallic hydride donors have emerged as an interesting, highly tunable class of compounds capable of CO2 reduction, with benzimidazoles being simple, yet efficient and regenerable, representatives.
Zoran Glasovac, Borislav Kovačević, Davor Margetić   +2 more
doaj   +2 more sources

Electrified interfacial oxygen-down water boosts efficient and durable electrolysis [PDF]

Nature Communications
The oxygen evolution reaction proceeds through proton-coupled electron transfers, mastering interfacial proton dynamics is therefore the critical nexus for simultaneously achieving high catalytic activity and long-term stability.
Yingying Xu, Zhaoyang Shi, Shicheng Zhu, Yingxia Zhao, Ming Sun, Haozhi Wang, Yida Deng, Tianyou Zhai, Lin Yu, Youwen Liu   +9 more
doaj   +2 more sources

Short hydrogen bonds in the catalytic mechanism of serine proteases [PDF]

Journal of the Serbian Chemical Society, 2008
The survey of crystallographic data from the Protein Data Bank for 37 structures of trypsin and other serine proteases at a resolution of 0.78–1.28 Å revealed the presence of hydrogen bonds in the active site of the enzymes, which are formed between the ...
VLADIMIR LESKOVAC, SVETLANA TRIVIC, DRAGINJA PERICIN, MIRA POPOVIC, JULIJAN KANDRAC   +4 more
doaj   +3 more sources

Identification of the protonation and oxidation states of the oxygen-evolving complex in the low-dose X-ray crystal structure of photosystem II

Frontiers in Plant Science, 2023
In photosystem II (PSII), the O3 and O4 sites of the Mn4CaO5 cluster form hydrogen bonds with D1-His337 and a water molecule (W539), respectively. The low-dose X-ray structure shows that these hydrogen bond distances differ between the two homogeneous ...
Keisuke Saito, Keisuke Saito, Shu Nakao, Hiroshi Ishikita, Hiroshi Ishikita   +4 more
doaj   +1 more source

Absorption wavelength along chromophore low-barrier hydrogen bonds

iScience, 2022
Summary: In low-barrier hydrogen bonds (H-bonds), the pKa values for the H-bond donor and acceptor moieties are nearly equal, whereas the redox potential values depend on the H+ position. Spectroscopic details of low-barrier H-bonds remain unclear. Here,
Masaki Tsujimura, Hiroyuki Tamura, Keisuke Saito, Hiroshi Ishikita   +3 more
doaj   +1 more source

Synthesis, structure, and C–H bond activation reaction of an iron(IV) terminal imido complex bearing trifluoromethyl groups

Cell Reports Physical Science, 2021
Summary: Iron terminal imido species featuring electron-withdrawing N-substituents represent an important category of reactive metal-ligand-multiple-bond intermediates in iron-catalyzed reactions.
Qing Liu, Linhong Long, Pengchen Ma, Yingjie Ma, Xuebing Leng, Jie Xiao, Hui Chen, Liang Deng   +7 more
doaj   +1 more source

Distinction between low-barrier hydrogen bond and ordinary hydrogen bond: a case study of varying nature of charge assisted hydrogen bonds of diglycine perchlorate crystal

Materials Research Express, 2023
Hydrogen bonding is a complex phenomenon that is a resultant of many energy components like the electrostatic, dispersive, covalent, charge cloud overlap repulsion etc, nature of hydrogen bond (H-bond) depends on which of these components play a dominant
Rajul Ranjan Choudhury, R Chitra, Lata Panicker   +2 more
doaj   +1 more source

Symmetry of Hydrogen Bonds: Application of NMR Method of Isotopic Perturbation and Relevance of Solvatomers

Molecules, 2023
Short, strong, symmetric, low-barrier hydrogen bonds (H-bonds) are thought to be of special significance. We have been searching for symmetric H-bonds by using the NMR technique of isotopic perturbation.
Charles L. Perrin
doaj   +1 more source

Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps

IUCrJ, 2021
Triosephosphate isomerase (TIM) is a key enzyme in glycolysis that catalyses the interconversion of glyceraldehyde 3-phosphate and dihydroxyacetone phosphate.
Vinardas Kelpšas, Octav Caldararu, Matthew P. Blakeley, Nicolas Coquelle, Rikkert K. Wierenga, Ulf Ryde, Claes von Wachenfeldt, Esko Oksanen   +7 more
doaj   +1 more source