NMR Techniques to Study Hydrogen Bonding in Aqueous Solution

1999 ◽  
pp. 17-38
Author(s):  
Robert Konrat ◽  
Martin Tollinger ◽  
Georg Kontaxis ◽  
Bernhard Kräutler
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Nmr Techniques

scholarly journals NMR of Natural Products as Potential Drugs

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3763
Author(s):  
Poul Erik Hansen
Keyword(s):  
Natural Products ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Density Functional Theory Calculations ◽  
Intramolecular Hydrogen Bonding ◽  
Chemical Equilibria ◽  
Nmr Techniques ◽  
Intramolecular Hydrogen

This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs.

Application of MOSCED and UNIFAC to Screen Hydrophobic Solvents for Extraction of Hydrogen-Bonding Organics from Aqueous Solution

2007 ◽  
Vol 46 (13) ◽  
pp. 4621-4625 ◽  
Author(s):  
Timothy C. Frank ◽  
John J. Anderson ◽  
James D. Olson ◽  
Charles A. Eckert
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding

scholarly journals Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution

2014 ◽  
Vol 43 (17) ◽  
pp. 6315-6321 ◽  
Author(s):  
Lars Eklund ◽  
Ingmar Persson
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Free Electron ◽  
Electron Pair ◽  
Bound Water ◽  
Water Molecules ◽  
Hydration Sphere ◽  
Free Electron Pair

The selenite ion has an asymmetric hydration sphere with loosely electrostatically bound water molecules outside the free electron pair.

Small molecule-mediated self-assembly behaviors of Pluronic block copolymers in aqueous solution: impact of hydrogen bonding on the morphological transition of Pluronic micelles

Soft Matter ◽  
2020 ◽  
Vol 16 (1) ◽  
pp. 142-151 ◽  
Author(s):  
Haiyan Luo ◽  
Kun Jiang ◽  
Xiangfeng Liang ◽  
Huizhou Liu ◽  
Yingbo Li
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Block Copolymers ◽  
Small Molecules ◽  
Small Molecule ◽  
Propyl Gallate ◽  
Self Assembly ◽  
Morphological Transition ◽  
Propyl Paraben ◽  
Pluronic P123

The influence of hydrogen bonding on the morphological transition of Pluronic P123 micelles is experimentally and theoretically investigated by introducing three small molecules, i.e. propyl benzoate (PB), propyl paraben (PP) and propyl gallate (PG).

scholarly journals Raman spectroscopic study of the hydration of short-chain poly(oxyethylene)s C 1EnC 1 (n=1−4)

2004 ◽  
Vol 2 (4) ◽  
pp. 617-626 ◽  
Author(s):  
Mircho Georgiev ◽  
Tatiana Popova ◽  
Zhorro Nickolov ◽  
Nikolay Goutev ◽  
Georgi Georgiev ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Raman Band ◽  
Short Chain ◽  
Water Molecules ◽  
Degree Of Hydration ◽  
Raman Spectroscopic ◽  
Raman Spectroscopic Study ◽  
Ether Oxygen ◽  
Oxygen Atoms

AbstractThe hypothesis that the degree of hydration of poly(oxyethylene) (POE) in aqueous solution depends on the mole ratio of water molecules to ether oxygen atoms in the molecule has been verified by studying the isotropic Raman spectra in the O−H stretching region for four short-chain POEs (C 1EnC 1 withn=1−4). Excellent coincidence of the O−H stretching Raman band for all four POEs studied in the range of mole ratio H2O/Oether from 25 to 0.6 was observed, thus confirming the assumption stated above. A conclusion that all ether oxygen atoms in the POE molecule participate in hydrogen bonding with water molecules has been made.

Hydroxyl-Proton Hydrogen Bonding in the Heparin Oligosaccharide Arixtra in Aqueous Solution

2014 ◽  
Vol 118 (2) ◽  
pp. 482-491 ◽  
Author(s):  
Consuelo N. Beecher ◽  
Robert P. Young ◽  
Derek J. Langeslay ◽  
Leonard J. Mueller ◽  
Cynthia K. Larive
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Hydroxyl Proton
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