Further insight into three center hydrogen bonding. Participation in tautomeric equilibria of heterocyclic amides

2001 ◽  
pp. 1817-1823 ◽  
Author(s):  
Itzia I. Padilla-Martínez ◽  
Francisco J. Martínez-Martínez ◽  
Efrén V. García-Báez ◽  
J. Martín Torres-Valencia ◽  
Susana Rojas-Lima ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Tautomeric Equilibria ◽  
Insight Into

Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone

CrystEngComm ◽  
2019 ◽  
Vol 21 (33) ◽  
pp. 4961-4968 ◽  
Author(s):  
Andrei V. Churakov ◽  
Dmitry A. Grishanov ◽  
Alexander G. Medvedev ◽  
Alexey A. Mikhaylov ◽  
Tatiana A. Tripol'skaya ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Direct Evidence ◽  
Valuable Insight ◽  
Cyclic Dipeptide ◽  
Peptide Backbone ◽  
Redox Interaction ◽  
Insight Into

The crystal structures of cyclic dipeptide peroxosolvates provide valuable insight into the non-redox interaction of hydrogen peroxide with the peptide backbone.

Alkyl pyridinium iodocyanocuprate(i) chains (RPy)2[Cu2I3(CN)]: insight into structural, electronic and spectroscopic properties

2020 ◽  
Vol 49 (5) ◽  
pp. 1492-1500
Author(s):  
Taylor C. Wells ◽  
Michaela E. Streep ◽  
Abigail L. Martucci ◽  
Aaron D. Nicholas ◽  
Robert D. Pike
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Spectroscopic Properties ◽  
Insight Into

Reaction of RPyI, CuI, and CuCN produces anionic iodocyanocuprate(i) chains, (RPy)2[Cu2I3CN] which exhibit charge transfer that is influenced by the hydrogen bonding between the cation and the triiodide groups.

Mechanistic insight into E22Q-mutation-induced antiparallel-to-parallel β-sheet transition of Aβ16−22fibrils: an all-atom simulation study

2019 ◽  
Vol 21 (28) ◽  
pp. 15686-15694 ◽  
Author(s):  
Xuhua Li ◽  
Jiangtao Lei ◽  
Ruxi Qi ◽  
Luogang Xie ◽  
Guanghong Wei
Keyword(s):  
Hydrogen Bonding ◽  
Simulation Study ◽  
Hydrophobic Interaction ◽  
Hydrogen Bonding Interaction ◽  
Mechanistic Insight ◽  
Bonding Interaction ◽  
Β Sheet ◽  
Insight Into

E22Q mutation of Aβ16−22fibrils facilitates parallel β-sheet formation by enhancing Q22–Q22 hydrogen-bonding interaction and A21–A21, F20–F20, F19–F19 and V18–V18 hydrophobic interaction.

Molecular Insight Into the Hydrogen Bonding and Micro-Segregation of a Cryoprotectant Molecule

2012 ◽  
Vol 116 (47) ◽  
pp. 13898-13904 ◽  
Author(s):  
J.J. Towey ◽  
A.K. Soper ◽  
L. Dougan
Keyword(s):  
Hydrogen Bonding ◽  
Insight Into

Computational insight into the cooperative role of non-covalent interactions in the aza-Henry reaction catalyzed by quinine derivatives: mechanism and enantioselectivity

2016 ◽  
Vol 14 (40) ◽  
pp. 9588-9597 ◽  
Author(s):  
Yunsheng Xue ◽  
Yuhui Wang ◽  
Zhongyan Cao ◽  
Jian Zhou ◽  
Zhao-Xu Chen
Keyword(s):  
Hydrogen Bonding ◽  
Dft Calculations ◽  
Ion Pair ◽  
Henry Reaction ◽  
Brönsted Acid ◽  
Non Covalent Interactions ◽  
Dual Activation ◽  
Covalent Interactions ◽  
Insight Into

DFT calculations reveal the viability of the two possible ion pair-hydrogen bonding and Brønsted acid-hydrogen bonding dual activation modes.

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