Solvent Influence on the Stability of the Peptide Hydrogen Bond: A Supramolecular Cooperative Effect

1994 ◽  
Vol 98 (29) ◽  
pp. 7104-7105 ◽  
Author(s):  
Hong Guo ◽  
Martin Karplus
Keyword(s):  
Hydrogen Bond ◽  
Cooperative Effect ◽  
Solvent Influence ◽  
Peptide Hydrogen ◽  
The Stability

scholarly journals Synthesis and Complexation Properties of 2-Hydroxy-5-methoxyphenylphosphonic Acid (H3L1). Crystal Structure of the [Cu(H2L1)2(Н2О)2] Complex

2021 ◽  
Vol 91 (11) ◽  
pp. 2176-2186
Author(s):  
G. S. Tsebrikova ◽  
Yu. I. Rogacheva ◽  
I. S. Ivanova ◽  
A. B. Ilyukhin ◽  
V. P. Soloviev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Methoxy Group ◽  
Protonation Constants ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Stability ◽  
Intramolecular Hydrogen ◽  
Oxygen Atoms

Abstract 2-Hydroxy-5-methoxyphenylphosphonic acid (H3L1) and the complex [Cu(H2L1)2(H2O)2] were synthesized and characterized by IR spectroscopy, thermogravimetry, and X-ray diffraction analysis. The polyhedron of the copper atom is an axially elongated square bipyramid with oxygen atoms of phenolic and of monodeprotonated phosphonic groups at the base and oxygen atoms of water molecules at the vertices. The protonation constants of the H3L1 acid and the stability constants of its Cu2+ complexes in water were determined by potentiometric titration. The protonation constants of the acid in water are significantly influenced by the intramolecular hydrogen bond and the methoxy group. The H3L1 acid forms complexes CuL‒ and CuL24‒ with Cu2+ in water.

On the stability of the guanine-cytosine hydrogen bond

1964 ◽  
Vol 20 (1) ◽  
pp. 14-16 ◽  
Author(s):  
S. L. Bunch ◽  
B. V. Siegel
Keyword(s):  
Hydrogen Bond ◽  
The Stability

Theoretical study of electron structure and stability of quasiaromatic analogues of azulene

1981 ◽  
Vol 46 (1) ◽  
pp. 31-39 ◽  
Author(s):  
Pavol Zahradník ◽  
Elena Ďurčíková ◽  
Jaroslav Leška
Keyword(s):  
Hydrogen Bond ◽  
Interaction Energy ◽  
Theoretical Study ◽  
Electron System ◽  
Stabilization Energy ◽  
Strong Hydrogen Bond ◽  
Hydrogen Bridge ◽  
Structure And Stability ◽  
Energy Interaction ◽  
The Stability

Semiempirical CNDO/2 method was used in the study of 23 quasiaromatic azulene analogues containing a hydrogen bridge A..H-D, where A and D denote O, NH, or S. The values of the stabilization energy, interaction energy, and changes of Wiberg's indexes suggest that the stability of the studied compounds is caused by a strong hydrogen bond as well as by a strong delocalization of the π-electron system. Derivatives in which A and D are O and NH are especially stable. Derivatives containing an oxo or thio group are preferred in tautomeric equilibriums.

Solution Structures of Pyrophthalones, I Structure and Conformation of 1,3-Indandionato-2(2-pyridinium)-betaïn — a 1H/13C NMR Approach

1987 ◽  
Vol 42 (1) ◽  
pp. 31-36 ◽  
Author(s):  
Erhard T. K. Haupt ◽  
Heindirk tom Dieck ◽  
Panayot R. Bontchev
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Complete Analysis ◽  
Solution Structures ◽  
The Stability ◽  
Intramolecular Hydrogen ◽  
Related Compounds ◽  
C Nmr

AbstractThe complete analysis of the 1H/13 C NMR spectra of α-Pyrophthalone and related compounds demonstrates that the earlier static planar description of the molecules is invalid for polar sol-vents, and here the stability of any intramolecular hydrogen bond is small.

scholarly journals Poly[bis(μ2-1,3-phenylenediamine-κ2N:N′)di-μ-thiocyanato-κ2N:S;κ2S:N-cadmium]

2013 ◽  
Vol 69 (12) ◽  
pp. m670-m671 ◽  
Author(s):  
Rakia Chemli ◽  
Slaheddine Kamoun ◽  
Thierry Roisnel
Keyword(s):  
Hydrogen Bond ◽  
Rotation Axis ◽  
Two Dimensional ◽  
Polymeric Compound ◽  
Polymeric Structure ◽  
Distorted Octahedral ◽  
The Stability

The structure of the title polymeric compound, [Cd(SCN)2(C6H8N2)2]n, exhibits a two-dimensional staircase-like structure parallel to (010) in which the CdIIatom lies on a twofold rotation axis and has a distorted octahedral CdS2N4geometry involving four μ-1,3-(SCN) group donors and two N-atom donors from 1,3-phenylenediamine ligands, which also have twofold symmetry. The major contributions to the cohesion and the stability of this two-dimensional polymeric structure are the covalent Cd—S,N bonds and one weak intralayer N—H...S hydrogen bond.

Asymptotic Strength Limit of Hydrogen Bond Assemblies in Proteins at Vanishing Pulling Rates

2007 ◽  
Vol 1062 ◽  
Author(s):  
Sinan Keten ◽  
Markus J. Buehler
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Computational Studies ◽  
Entropic Elasticity ◽  
Strength Limit ◽  
Wide Range ◽  
Peptide Hydrogen ◽  
Polypeptide Chains ◽  
Limiting Value ◽  
Intrinsic Strength

ABSTRACTExperimental and computational studies on mechanical unfolding of proteins suggest that rupture forces approach a limiting value of a few hundred pN at vanishing pulling velocities. We develop a fracture mechanics based theoretical framework that considers the free energy competition between entropic elasticity of polypeptide chains and rupture of peptide hydrogen bonds, which we use here to provide an explanation for the intrinsic strength limit of proteins. Our analysis predicts that individual protein domains stabilized by hydrogen bonds can not exhibit rupture forces larger than approximately ≈200 pN, regardless of the presence of a large number of hydrogen bonds. This result explains a wide range of experimental and computational observations.

Solvent influence on some complexes realized by hydrogen bond

2008 ◽  
Vol 887 (1-3) ◽  
pp. 122-127 ◽  
Author(s):  
C. Gheorghieş ◽  
Livia Gheorghieş ◽  
Dana Dorohoi
Keyword(s):  
Hydrogen Bond ◽  
Solvent Influence

Theoretical aspects of the enhancement of metal binding affinity by intramolecular hydrogen bonding and modulating pKavalues

2017 ◽  
Vol 41 (24) ◽  
pp. 15110-15119 ◽  
Author(s):  
Ahmad Motahari ◽  
Alireza Fattahi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Binding Affinity ◽  
Metal Binding ◽  
Intramolecular Hydrogen Bonding ◽  
Hydrogen Bond Network ◽  
Bond Network ◽  
The Stability ◽  
Intramolecular Hydrogen

The stability balance shows that the hydrogen bond network and modulation of pKavalues can enhance the metal binding affinity.

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