Solid-state 17O NMR studies of organic and biological molecules
G Wu - Progress in Nuclear Magnetic Resonance …, 2008 - Elsevier
Oxygen (O), hydrogen (H), carbon (C), and nitrogen (N) are the most common elements
found in organic and biological molecules. Among these four elements, oxygen occupies a …
found in organic and biological molecules. Among these four elements, oxygen occupies a …
Assessment of the adsorption mechanism of Flutamide anticancer drug on the functionalized single-walled carbon nanotube surface as a drug delivery vehicle: An …
In the present work, we have studied the drug delivery performance of the functionalized (5,
5) single-walled carbon nanotube with a carboxylic acid group for Flutamide anticancer drug …
5) single-walled carbon nanotube with a carboxylic acid group for Flutamide anticancer drug …
[图书][B] 17O NMR Spectroscopy
DW Boykin - 1991 - api.taylorfrancis.com
During the past decade 170 NMR spectroscopy has become an increasingly important
method for studying structure, conformation, and electronic distribution in organic molecules …
method for studying structure, conformation, and electronic distribution in organic molecules …
Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis
MK Hazra, JS Francisco, A Sinha - The Journal of Physical …, 2013 - ACS Publications
We find that formic acid (FA) is very effective at facilitating diol formation through its ability to
reduce the barrier for the formaldehyde (HCHO) hydrolysis reaction. The rate limiting step in …
reduce the barrier for the formaldehyde (HCHO) hydrolysis reaction. The rate limiting step in …
DFT explorations of quadrupole coupling constants for planar 5-fluorouracil pairs
M Mirzaei, O Gülseren, N Hadipour - Computational and Theoretical …, 2016 - Elsevier
Atomic scale properties of quadrupole coupling constants (CQ) have been evaluated for
singular and paired 5-fluorouracil (FU) models. Structural possibilities and properties for …
singular and paired 5-fluorouracil (FU) models. Structural possibilities and properties for …
Ab initio calculation of the deuterium quadrupole coupling in liquid water
R Eggenberger, S Gerber, H Huber… - The Journal of …, 1992 - pubs.aip.org
The quadrupole coupling constant and asymmetry parameter for the deuteron in liquid
heavy water was determined using purely theoretical methods. Molecular‐dynamics …
heavy water was determined using purely theoretical methods. Molecular‐dynamics …
Solid-State 17O NMR Investigation of the Carbonyl Oxygen Electric-Field-Gradient Tensor and Chemical Shielding Tensor in Amides
K Yamada, S Dong, G Wu - Journal of the American Chemical …, 2000 - ACS Publications
We have presented a systematic experimental and theoretical investigation of the carbonyl
oxygen electric-field-gradient (EFG) tensor and chemical shielding (CS) tensor in crystalline …
oxygen electric-field-gradient (EFG) tensor and chemical shielding (CS) tensor in crystalline …
Acidic Centers on the Surface of a Crystalline α-Sn(IV) Phosphate Characterized by the Solid-State 1H, 2H, 31P, and 119Sn MAS NMR Techniques
VI Bakhmutov, DW Elliott… - Inorganic …, 2022 - ACS Publications
A layered crystalline phosphate α-Sn (HPO4) 2· H2O (1), prepared and characterized in the
present study by the multinuclear solid-state nuclear magnetic resonance (NMR), powder X …
present study by the multinuclear solid-state nuclear magnetic resonance (NMR), powder X …
A Combined Experimental and Theoretical 17O NMR Study of Crystalline Urea: An Example of Large Hydrogen-bonding Effects
S Dong, R Ida, G Wu - The Journal of Physical Chemistry A, 2000 - ACS Publications
We report the first experimental determination of the carbonyl 17O electric-field-gradient
(EFG) tensor and chemical-shift (CS) tensor of a urea-type functional group, R1NH C (O) …
(EFG) tensor and chemical-shift (CS) tensor of a urea-type functional group, R1NH C (O) …
Site of ionization of hydroxamic acids probed by heteronuclear NMR relaxation rate and NOE measurements. An experimental and theoretical study
The site of ionization (protonation and deprotonation) of hydroxamic acids (RCONHOH) has
been investigated by heteronuclear (14N, 15N, 170) NMR relaxation and NOE experiments …
been investigated by heteronuclear (14N, 15N, 170) NMR relaxation and NOE experiments …