Results 221 to 230 of about 146,160 (249)
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Analytica Chimica Acta, 1995
Abstract Structure elucidation for natural product compounds is assisted by making similarity comparisons between the uncharacterized experimental 13C NMR spectrum with relevant databases of estimated spectra. Databases of estimated spectra are deduced from a small set of assigned structures using HOSE codes.
Sheo B. Singh +8 more
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Abstract Structure elucidation for natural product compounds is assisted by making similarity comparisons between the uncharacterized experimental 13C NMR spectrum with relevant databases of estimated spectra. Databases of estimated spectra are deduced from a small set of assigned structures using HOSE codes.
Sheo B. Singh +8 more
openaire +2 more sources
Metabolomics, 2011
Public databases of NMR spectra of low molecular weight metabolites must be constructed to remove the major bottleneck of metabolite identification and quantification in the analysis of metabolomics data. Two-dimensional (2-D) 1H J-resolved spectroscopy represents a popular alternative to 1-D NMR methods, resolving the highly overlapped signals ...
Lisa M. Bishop +11 more
openaire +2 more sources
Public databases of NMR spectra of low molecular weight metabolites must be constructed to remove the major bottleneck of metabolite identification and quantification in the analysis of metabolomics data. Two-dimensional (2-D) 1H J-resolved spectroscopy represents a popular alternative to 1-D NMR methods, resolving the highly overlapped signals ...
Lisa M. Bishop +11 more
openaire +2 more sources
Magnetic Resonance in Chemistry, 2015
Abstractnmrshiftdb2 supports with its laboratory information management system the integration of an electronic lab administration and management into academic NMR facilities. Also, it offers the setup of a local database, while full access to nmrshiftdb2's World Wide Web database is granted.
Stefan Kuhn, Nils E. Schlörer
openaire +3 more sources
Abstractnmrshiftdb2 supports with its laboratory information management system the integration of an electronic lab administration and management into academic NMR facilities. Also, it offers the setup of a local database, while full access to nmrshiftdb2's World Wide Web database is granted.
Stefan Kuhn, Nils E. Schlörer
openaire +3 more sources
Journal of Biomolecular NMR, 2012
Magic-angle-spinning solid-state (13)C NMR spectroscopy is useful for structural analysis of non-crystalline proteins. However, the signal assignments and structural analysis are often hampered by the signal overlaps primarily due to minor structural heterogeneities, especially for uniformly-(13)C,(15)N labeled samples.
Keisuke Ikeda +3 more
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Magic-angle-spinning solid-state (13)C NMR spectroscopy is useful for structural analysis of non-crystalline proteins. However, the signal assignments and structural analysis are often hampered by the signal overlaps primarily due to minor structural heterogeneities, especially for uniformly-(13)C,(15)N labeled samples.
Keisuke Ikeda +3 more
openaire +3 more sources
Magnetic Resonance in Chemistry, 2016
The introduction of a universal data format to report the correlation data of 2D NMR spectra such as COSY, HSQC and HMBC spectra will have a large impact on the reliability of structure determination of small organic molecules. These lists of assigned cross peaks will bridge signals found in NMR 1D and 2D spectra and the assigned chemical structure ...
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The introduction of a universal data format to report the correlation data of 2D NMR spectra such as COSY, HSQC and HMBC spectra will have a large impact on the reliability of structure determination of small organic molecules. These lists of assigned cross peaks will bridge signals found in NMR 1D and 2D spectra and the assigned chemical structure ...
openaire +3 more sources
Analytical chemistry, 2015
A customized metabolomics NMR database, termed (1)H((13)C)-TOCCATA, is introduced, which contains complete (1)H and (13)C chemical shift information on individual spin systems and isomeric states of common metabolites. Since this information directly corresponds to cross sections of 2D (1)H-(1)H TOCSY and 2D (13)C-(1)H HSQC-TOCSY spectra, it allows the
Kerem, Bingol +3 more
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A customized metabolomics NMR database, termed (1)H((13)C)-TOCCATA, is introduced, which contains complete (1)H and (13)C chemical shift information on individual spin systems and isomeric states of common metabolites. Since this information directly corresponds to cross sections of 2D (1)H-(1)H TOCSY and 2D (13)C-(1)H HSQC-TOCSY spectra, it allows the
Kerem, Bingol +3 more
openaire +1 more source
Technical Note: SpekPy v2.0—a software toolkit for modeling x‐ray tube spectra
Medical Physics, 2021Artur Omar +2 more
exaly
Data fusion of vis–NIR and PXRF spectra to predict soil physical and chemical properties
European Journal of Soil Science, 2020Yakun Zhang, Alfred E Hartemink
exaly
Consistent floor response spectra for performance‐based seismic design of nonstructural elements
Earthquake Engineering and Structural Dynamics, 2020Roberto J Merino +2 more
exaly