Results 21 to 30 of about 2,189,236 (165)
Regulation of protein-ligand binding affinity by hydrogen bond pairing
Science Advances, 2016 Receptor-ligand H-bond pairings have evolved to promote high-affinity binding by reducing competitive interference with water. Hydrogen (H)-bonds potentiate diverse cellular functions by facilitating molecular interactions.
Deliang Chen +5 more
semanticscholar +1 more source
Hydrogen-bonding study of photoexcited 4-nitro-1,8-naphthalimide in hydrogen-donating solvents
Open Physics, 2016 The solute–solvent interactions of 4-nitro-1,8-naphthalimide (4NNI) as a hydrogen bond acceptor in hydrogen donating methanol (MeOH) solvent in electronic excited states were investigated by means of the time-dependent density functional theory(TDDFT ...
Cao Jianfang +5 more
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N-(3-Methylphenyl)-N′-(4-nitrobenzoyl)thiourea
Acta Crystallographica Section E, 2008 Two molecules of the title compound, C15H13N3O3S, are linked by an intermolecular N—H...S hydrogen bond. There is also an intramolecular N—H...O hydrogen bond, forming a six-membered ring.
Liang Xian
doaj +1 more source
Direct observation of single-molecule hydrogen-bond dynamics with single-bond resolution
Nature Communications, 2018 The hydrogen bond represents a fundamental interaction widely existing in nature, which plays a key role in chemical, physical and biochemical processes.
Ce Zhou +9 more
semanticscholar +1 more source
Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system [PDF]
Nature, 2015 The quantum nature of the proton can crucially affect the structural and physical properties of hydrogen compounds. For example, in the high-pressure phases of H2O, quantum proton fluctuations lead to symmetrization of the hydrogen bond and reduce the ...
I. Errea +9 more
semanticscholar +1 more source
On the Hydrogen Bond Strength and Vibrational Spectroscopy of Liquid Water
Scientific Reports, 2018 In the present work, we introduce two new metrics i.e. hydrogen-bond strength and charge-transfer between the donor/acceptor water molecules as a measure of hydrogen-bond rearrangement dynamics. Further, we also employ a simple model based on energy flux
D. Ojha, K. Karhan, T. Kühne
semanticscholar +1 more source
Physical Review D, 2019 Using the Born-Oppenheimer approximation, we show that exotic resonances, $X$ and $Z$, may emerge as QCD molecular objects made of colored two-quark lumps, states with heavy-light diquarks spatially separated from antidiquarks. With the same method we confirm that doubly heavy tetraquarks are stable against strong decays.
Maiani L., Polosa A. D., Riquer V.
openaire +3 more sources
Theoretical Study of Heteroatom Resonance-Assisted Hydrogen Bond: Effect of Substituent on π-delocalization [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2010 The concept of Resonance Assisted Hydrogen Bond (RAHB), which usually occurs in b diketons, has a remarkable role in chemistry. These molecules, which contain heteroatom particularly O and N, are species with biological interest in protein folding and ...
Ali Heydar Pakiari, Maryam Farrokhnia
doaj
Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate
Acta Crystallographica Section E, 2012 In the crystal of the title salt, 2C2H8N+·C6H4O8S22−, the anion lies on a center of inversion. The dimethylammonium cation forms one N—H...O hydrogen bond and another bifurcated N—H...O hydrogen bond.
Shan Gao, Seik Weng Ng
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Intramolecular Hydrogen Bond Energy and Its Decomposition—O–H∙∙∙O Interactions
Crystals, 2020 The method to calculate the energy of intramolecular hydrogen bond is proposed and tested for a sample of malonaldehyde and its fluorine derivatives; the corresponding calculations were performed at the ωB97XD/aug-cc-pVTZ level.
Sławomir J. Grabowski
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