Results 21 to 30 of about 222,547 (261)
Molecules, 2021 Spikelets NMR spectra are very popular as they enable the shortening of experimental time and give the possibility to obtain required NMR parameters for nuclei with ultrawide NMR patterns.
Andrii Mahun +8 more
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NMR-TS: de novo molecule identification from NMR spectra
Science and Technology of Advanced Materials, 2020 Nuclear magnetic resonance (NMR) spectroscopy is an effective tool for identifying molecules in a sample. Although many previously observed NMR spectra are accumulated in public databases, they cover only a tiny fraction of the chemical space, and ...
Jinzhe Zhang +6 more
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Automatic classification of signal regions in 1H Nuclear Magnetic Resonance spectra
Frontiers in Artificial Intelligence, 2023 The identification and characterization of signal regions in Nuclear Magnetic Resonance (NMR) spectra is a challenging but crucial phase in the analysis and determination of complex chemical compounds.
Giulia Fischetti +7 more
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Spectral Analysis and Structural Elucidation of Besifloxacin Hydrochloride
Chinese Journal of Magnetic Resonance, 2018 The ultraviolet spectra (UV), infrared spectra (IR), mass spectra (MS) and nuclear magnetic resonance (NMR) spectra (i.e., 1H NMR, 13C NMR, DEPT, HSQC, HMBC, COSY and NOESY) of besifloxacin hydrochloride were acquired and interpreted.
ZHANG Ming-guang +4 more
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NMR chemical shifts of carbon atoms and characteristic shift ranges in the oil sample
Petroleum Research, 2022 Application of high resolution 13C nuclear magnetic resonance (NMR) spectroscopy to characterize crude oil was demonstrated. The chemical shifts of 13C NMR functional groups that determine the composition of the oil sample were determined.
Ilfat Z. Rakhmatullin +5 more
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Spectral Analysis and Structural Elucidation of Luliconazole
Chinese Journal of Magnetic Resonance, 2018 Infrared spectra, ultraviolet spectra, nuclear magnetic resonance (NMR) spectra (i.e., 1H NMR, 13C NMR, DEPT135, 1H-1H COSY, 1H-13C HMQC and 1H-13C HMBC) and mass spectra of luliconazole were collected and used to characterize the compound.
LIN Yun-liang +3 more
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Concepts in Magnetic Resonance Part A, 2013 This article discusses the existing methods to correlate NMR parameters describing the high resolution NMR spectra of liquids and solid systems with their structural parameters. Those methods are divided into direct and indirect ones. This article includes two types of direct methods: those based on the Nuclear Overhauser Effect (NOE) contributions to ...
Facelli, Julio C. +1 more
openaire +2 more sources
MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids
BMC Bioinformatics, 2008 Background One-dimensional (1D) 1H nuclear magnetic resonance (NMR) spectroscopy is widely used in metabolomic studies involving biofluids and tissue extracts.
Tang Peter +3 more
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High-resolution solid-state NMR study of isotactic polypropylenes
eXPRESS Polymer Letters, 2012 The high-resolution solid-state 13C NMR spectra were recorded for metallocene (m) and Ziegler-Natta (ZN) isotactic polypropylenes (iPP) in pelletized form using cross polarization (CP) and magic angle spinning (MAS) techniques within the temperature ...
O. Fricova +6 more
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Duplicate detection of 2D-NMR Spectra
Journal of Integrative Bioinformatics, 2007 2D-Nuclear magnetic resonance (NMR) spectra are used in the (structural) analysis of small molecules. In contrast to 1D-NMR spectra, 2D-NMR spectra correlate the chemical shifts of 1H and 13C at the same time.
Hinneburg Alexander +2 more
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