Results 21 to 30 of about 1,362,496 (337)

Spectral Analyses and Structural Elucidation of Cyflumetofen

Chinese Journal of Magnetic Resonance, 2020
Cyflumetofen is a new type of acaricide with high efficiency and low residue. In this work, the compound was characterized by infrared absorption (IR), ultraviolet absorption (UV) and mass spectrometry, as well as nuclear magnetic resonance spectroscopy (
ZHANG Yi-ming, CHEN Zhi-xue, YANG Xiao-yun   +2 more
doaj   +1 more source

Octanol–Water Partition Coefficient Measurement by a Simple 1H NMR Method

ACS Omega, 2017
We describe a simple miniature shake-flask method to measure the octanol–water partition coefficient of an organic compound. Partition between water and octanol is performed in an NMR tube; the aqueous phase is analyzed by 1H NMR spectroscopy using a ...
Hemi Cumming, C. Rücker
semanticscholar   +1 more source

Rapid prediction of NMR spectral properties with quantified uncertainty [PDF]

, 2018
open access articleAccurate calculation of specific spectral properties for NMR is an important step for molecular structure elucidation. Here we report the development of a novel machine learning technique for accurately predicting chemical shifts of ...
Jonas, Eric, Kuhn, Stefan
core   +1 more source

Quantitative Lipoprotein Subclass and Low Molecular Weight Metabolite Analysis in Human Serum and Plasma by 1H NMR Spectroscopy in a Multilaboratory Trial.

Analytical Chemistry, 2018
We report an extensive 600 MHz NMR trial of quantitative lipoprotein and small-molecule measurements in human blood serum and plasma. Five centers with eleven 600 MHz NMR spectrometers were used to analyze 98 samples including 20 quality controls (QCs ...
B. Jiménez, E. Holmes, C. Heude, Rose F Tolson, Nikita Harvey, S. Lodge, Andrew J Chetwynd, C. Cannet, Fang Fang, Jake T. M. Pearce, M. Lewis, M. Viant, J. Lindon, M. Spraul, H. Schäfer, J. Nicholson   +15 more
semanticscholar   +1 more source

A solution NMR approach to determine the chemical structures of carbohydrates using the hydroxyl groups as starting points [PDF]

, 2018
An efficient NMR approach is described for determining the chemical structures of the monosaccharide glucose and four disaccharides, namely, nigerose, gentiobiose, leucrose and isomaltulose.
Bauer, Julia, Brown, Geoffrey D., Kuemmerle, Rainer, Osborn, Helen M. I.   +3 more
core   +2 more sources

Structural Elucidation and NMR Spectral Assignments of Two C19-Diterpenoid Alkaloids

Chinese Journal of Magnetic Resonance, 2018
Two C19-diterpenoid alkaloids, homochasmanine (compound 1) and 14-debenzoylfranchetine (compound 2), were isolated from the roots of Aconitum handelianum. Their structures were elucidated by one-dimensional and two-dimensional nuclear magnetic resonance (
YIN Tian-peng, CHEN Yang, LUO Ping, CAL Le, DING Zhong-tao   +4 more
doaj   +1 more source

900MHz 1H-/13C-NMR analysis of 2-hydroxyglutarate and other brain metabolites in human brain tumor tissue extracts. [PDF]

PLoS ONE, 2018
PURPOSE:To perform in vitro high-resolution 900 MHz magnetic resonance spectroscopy (NMR) analysis of human brain tumor tissue extracts and analyze for the oncometabolite 2-hydroxyglutarate (2HG) and other brain metabolites, not only for 1H but also for ...
Gregory Hyung Jin Park, Seung-Ho Yang, Hyeon-Man Baek   +2 more
doaj   +1 more source

1H NMR metabolomics applied to Bordeaux red wines.

Food Chemistry, 2019
The q-NMR metabolomics has already demonstrated its potential for classifying wines of different geographical origins, grape varieties, or vintages.
Louis Gougeon, Grégory DA Costa, F. Guyon, T. Richard   +3 more
semanticscholar   +1 more source

A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates [PDF]

, 2013
An NMR crystallographic approach incorporating multinuclear solid state NMR (SSNMR), X-ray structure determinations and density functional theory (DFT) are used to characterise the H bonding arrangements in benzoic acid (BZA) and the corresponding Group ...
Alberth Lari, Andrew P. Howes, Anupold, Arunan, Asakawa, Ashbrook, Barbour, Bastow, Bastow, Cannon, Cheetham, Clark, Cole, Coles, David Quigley, Dinu Iuga, Etter, Farrugia, Fillaux, Fletcher, Gemmecker, Gilli, Glowacki, Gobetto, Gorman, Gowda, Gregory J. Rees, Griffin, Gu, Gu, Gu, Haeberlen, Hagaman, Harris, Harris, Hirsch, Howes, Hung, John D. Wallis, John V. Hanna, Kim, Kuroki, Lee, Macrae, Mark E. Light, Mark E. Smith, Massiot, Mateusz B. Pitak, Milford, Moudrakovski, Oldfield, Panchmatia, Perdew, Perdew, Pickard, Profeta, Samoson, Samoson, Sheldrick, Shimoda, Simon J. Coles, Skinner, Slootmaekers, Sponer, Stephen P. Day, Terry L. Threlfall, Traer, Waugh, Wei, Wilson, Witkowski, Wong, Wong, Wong, Wu, Wu, Wu, Yates   +77 more
core   +2 more sources

An NMR Study of N-isobutyryl-3'-O-(1-fluoro-1,1,3,3-tetraisopropyl-1,3-disiloxane-3-yl)-2'-benzyloxycarbonyl-guanosine

Chinese Journal of Magnetic Resonance, 2019
The nucleoside derivative N-isobutyryl-3'-O-(1-fluoro-1,1,3,3-tetraisopropyl-1,3-disiloxane-3-yl)-2'-benzyloxy carbonyl-guanosine (compound 1) was obtained by selectively cleaving the 1,1,3,3-tetraisopropyldisiloxanyl protecting group at 5'-position with
WEI Hui-qiang, YU Jiang, BI Chang-fen, NING Hong-xin, LI Yi-liang, LIU Qiang   +5 more
doaj   +1 more source