A study of the conformational states of cyclopeptide systems IV. NMR spectra of cyclohexapeptides constructed of alanine and glycine residues: Chemical shifts and intramolecular hydrogen bonds

1971 ◽  
Vol 7 (3) ◽  
pp. 307-318 ◽  
Author(s):  
S. L. Portnova ◽  
T. A. Balashova ◽  
V. F. Bystrov ◽  
V. V. Shilin ◽  
Ya. Bernat ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Conformational States ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen

scholarly journals Leveraging chromatography based physicochemical properties for efficient drug design

ADMET & DMPK ◽  
2018 ◽  
Vol 6 (2) ◽  
pp. 85-104 ◽  
Author(s):  
Gilles H. Goetz ◽  
Marina Shalaeva
Keyword(s):  
Drug Design ◽  
Hydrogen Bonds ◽  
Physicochemical Properties ◽  
Design Process ◽  
Parallel Optimization ◽  
Drug Candidate ◽  
Design Strategies ◽  
Conformational States ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen

Applications of chromatography derived lipophilicity, polarity, and 3D concepts such as conformational states, exposed polarity and intramolecular hydrogen bonds (IMHB), are discussed along with recently developed methods for incorporating these concepts into drug design strategies. In addition, the drug design process is described with examples and practices used at Pfizer, as well as experimental and computed parameters used for parallel optimization of properties leading to drug candidate nominations.

scholarly journals Unusual Effects of Intramolecular Hydrogen Bonds and Dipole Interaction on FTIR and NMR of Some Imines

2019 ◽  
pp. 1-6 ◽  
Author(s):  
Elham Abdalrahem Bin Selim ◽  
Mohammed Hadi Al–Douh
Keyword(s):  
Hydrogen Bonds ◽  
Chemical Shifts ◽  
Dipole Interaction ◽  
Intramolecular Hydrogen Bonds ◽  
X Ray ◽  
X Ray Crystallography ◽  
Dipole Interactions ◽  
Intramolecular Hydrogen

Unusual effects of intramolecular hydrogen bonds and dipole interactions are investigated using FTIR, NMR and X-Ray crystallography analyses of some imines. These phenomena affect both FTIR absorptions and chemical shifts.

NUCLEAR SHIELDING PARAMETERS FOR PROTONS IN HYDROGEN BONDS: II. CORRELATION OF CHEMICAL SHIFTS IN INTRAMOLECULAR HYDROGEN BONDS WITH INFRARED STRETCHING FREQUENCIES

1960 ◽  
Vol 38 (8) ◽  
pp. 1249-1254 ◽  
Author(s):  
L. W. Reeves ◽  
E. A. Allan ◽  
K. O. Strømme
Keyword(s):  
Hydrogen Bond ◽  
Chemical Shift ◽  
Hydrogen Bonds ◽  
Infinite Dilution ◽  
Chemical Shifts ◽  
Intramolecular Hydrogen Bonds ◽  
A Value ◽  
Nuclear Shielding ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonded

Nuclear shielding parameters have been obtained for 24 intramolecularly hydrogen-bonded phenols and naphthols. The shielding parameters are corrected for large diamagnetic anisotropies and a value ΔσOH obtained which represents the change in shielding parameter in parts per million with reference to the infinite dilution chemical shift of phenol, α-naphthol, or β-naphthol. These values of ΔσOH are approximately proportional to the change ΔvOH in the OH stretching frequency on formation of the hydrogen bond.

Benzylidenemalonaldehydes: A redox reaction during the attempted cycloaddition on nitrosobenzene

1985 ◽  
Vol 50 (10) ◽  
pp. 2260-2264 ◽  
Author(s):  
Dalimil Dvořák ◽  
Miloš Buděšínský ◽  
David Šaman ◽  
Zdeněk Arnold
Keyword(s):  
Methyl Ester ◽  
Hydrogen Bonds ◽  
Acrylic Acid ◽  
Redox Reaction ◽  
Nmr Spectra ◽  
Oxidation Process ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen ◽  
C Nmr

Reaction of p-chlorobenzylidenemalonaldehyde with nitrosobenzene represents a reduction-oxidation process leading to 2-formyl-3-anilino-3-(4-chlorophenyl)acrylic acid (III). The structure of the product, including two intramolecular hydrogen bonds, has been proved by analysis of the 1H and 13C NMR spectra of the acid III, its deuterated form and the methyl ester obtained by reaction with diazomethane.

1H NMR spectra and the conformation of 1,6 : 2,3- and 1,6 : 3,4-dianhydro-β-D-hexopyranoses and their derivatives

1979 ◽  
Vol 44 (6) ◽  
pp. 1965-1983 ◽  
Author(s):  
Miloš Buděšínský ◽  
Miloslav Černý ◽  
Tomáš Trnka ◽  
Soňa Vašíčková
Keyword(s):  
Hydrogen Bonds ◽  
1H Nmr ◽  
Torsion Angle ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Point Of View ◽  
Coupling Constants ◽  
H Nmr ◽  
Vicinal Coupling Constants ◽  
Intramolecular Hydrogen

The 1H NMR spectra of 1,6 : 2,3- and 1,6 : 3,4-dianhydro-β-D-hexopyranoses and their acetyl-, trichloroacetylcarbamoyl- and 2- or 4-deoxy derivatives were measured in hexadeuteriodimethyl sulfoxide or deuteriochloroform. In these solvents dianhydro derivatives assume the half-chair conformations 5H0 or 1H0 which are not distinctly affected by the presence of substituents. The effects of substituents on the chemical shifts and the adjusted relation for the dependence of the vicinal coupling constants on the torsion angle are discussed from the point of view of conformation and the interactions of the oxirane ring with the oxygen O(5) and O(6) of the 1,6-anhydropyranose skeleton. Intramolecular hydrogen bonds in free dianhydrohexopyranoses were measured and identified in tetrachloromethane solution.

Controlling emissive properties by intramolecular hydrogen bonds: alkyl and aryl meso‐substituted porphycenes

2021 ◽  
Author(s):  
Jacek Waluk ◽  
Arkadiusz Listkowski ◽  
Natalia Masiera ◽  
Michał Kijak ◽  
Roman Luboradzki ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen
Sign in / Sign up

Export Citation Format

Share Document