Results 11 to 20 of about 84,757 (292)

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 [PDF]

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   +2 more sources

Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. [PDF]

J Am Chem Soc, 2015
Ligand binding can change the pKa of protein residues and influence enzyme catalysis. Herein, we report three sub-Angstrom resolution X-ray crystal structures of CTX-M β-lactamase, representing three stages of the enzymatic pathway, apo protein (0.79 Å)
Nichols DA, Hargis JC, Sanishvili R, Jaishankar P, Defrees K, Smith EW, Wang KK, Prati F, Renslo AR, Woodcock HL, Chen Y.   +10 more
europepmc   +3 more sources

Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline. [PDF]

ACS Med Chem Lett
The role of short strong hydrogen bonds (SSHBs) in ligand–target binding remains largely unexplored, thereby hindering a potentially important avenue in rational drug design.
Słabońska J, Sappati S, Marciniak A, Czub J.   +3 more
europepmc   +2 more sources

A New Low-Barrier Hydrogen Bond System: Free-Base Corrole Anion [PDF]

, 2023
Free-base corroles have long been known to be acidic, readily undergoing deprotonation by mild bases and in polar solvents. The conjugate base, however, has not been structurally characterized until now.
Pranjali , Singh, Abhik, Ghosh, Sanjib, Kar, Arup, Tarai, Jyoti Prakash, Mallick, Jeanet, Conradie   +5 more
core   +1 more source

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

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

Low barrier hydrogen bonds in protein structure and function

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 2021
Low-barrier hydrogen bonds (LBHBs) are a special type of short hydrogen bond (HB) that is characterized by the equal sharing of a hydrogen atom. The existence and catalytic role of LBHBs in proteins has been intensely contested. Advancements in X-ray and neutron diffraction methods has revealed delocalized hydrogen atoms involved in potential LBHBs in ...
M Trent, Kemp, Eric M, Lewandowski, Yu, Chen   +2 more
openaire   +3 more sources

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

Remarkable Single Atom Catalyst of Transition Metal (Fe, Co & Ni) Doped on C₂N Surface for Hydrogen Dissociation Reaction

Nanomaterials, 2022
Currently, hydrogen is recognized as the best alternative for fossil fuels because of its sustainable nature and environmentally friendly processing. In this study, hydrogen dissociation reaction is studied theoretically on the transition metal doped ...
Ahmed Bilal Shah, Sehrish Sarfaraz, Muhammad Yar, Nadeem S. Sheikh, Hassan H. Hammud, Khurshid Ayub   +5 more
doaj   +1 more source