Results 21 to 30 of about 381,688 (266)
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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Hydrogen Bonds in Polymer Folding [PDF]
Physical Review Letters, 2001 Physical Review ...
1.2. J. Borg +3 more
openaire +4 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
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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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Quantifying the ability of the CF2H group as a hydrogen bond donor
Beilstein Journal of Organic ChemistryThe CF2H group can act as a hydrogen bond donor, serving as a potential surrogate for OH or SH groups but with a weaker hydrogen bond donation ability.
Matthew E. Paolella +4 more
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(E)-4-Hydroxy-N′-(2-hydroxy-4-methoxybenzylidene)benzohydrazide monohydrate
Acta Crystallographica Section E, 2009 The Schiff base molecule of the title compound, C15H14N2O4·H2O, adopts a trans configuration with respect to the C=N double bond; the Schiff base itself is almost planar (r.m.s. deviation for all non-H atoms = 0.040 Å).
Nooraziah Mohd Lair +2 more
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FEBS Letters, EarlyView.Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes +4 more
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Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
FEBS Letters, EarlyView.A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
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2-[(4-Methylbenzoyl)hydrazono]propionic acid monohydrate
Acta Crystallographica Section E, 2009 In the title compound, C11H12N2O3·H2O, the water molecule is a hydrogen-bond donor to the double-bond amide and the carbonyl O atoms of two acid molecules; it is also a hydrogen-bond acceptor to the acid –OH and amide –NH– groups ...
Seik Weng Ng, Kong Mun Lo, Hon Wee Wong
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