| Spectral deconvolution of chemical mixtures by covariance NMR. | |
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MedLine Citation:
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PMID: 15253306 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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A method is presented for the deconvolution of the NMR spectrum of a chemical mixture without requiring physical separation of its components. The method, which is termed "Demix", is based on a principal component analysis of a series of one-dimensional (1D) spectra that are statistically modulated during preparation and TOCSY mixing periods. The largest principal components correspond to the 1D NMR spectra of the scalar J-coupled spin networks of the individual components of the mixture. The method is demonstrated for aqueous mixtures of the amino acids Glu, Leu, Lys, and Val. |
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Authors:
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Fengli Zhang; Rafael Brüschweiler |
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Publication Detail:
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Type: Journal Article; Research Support, U.S. Gov't, P.H.S. |
Journal Detail:
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Title: Chemphyschem : a European journal of chemical physics and physical chemistry Volume: 5 ISSN: 1439-4235 ISO Abbreviation: Chemphyschem Publication Date: 2004 Jun |
Date Detail:
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Created Date: 2004-07-15 Completed Date: 2005-03-31 Revised Date: 2007-11-14 |
Medline Journal Info:
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Nlm Unique ID: 100954211 Medline TA: Chemphyschem Country: Germany |
Other Details:
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Languages: eng Pagination: 794-6 Citation Subset: IM |
Affiliation:
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Carlson School of Chemistry and Biochemistry, Clark University 950 Main Street, Worcester, MA 01610-1477, USA. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Amino Acids
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chemistry* Buffers Deuterium / chemistry Glutamic Acid / chemistry Leucine / chemistry Magnetic Resonance Spectroscopy / methods* Principal Component Analysis Valine / chemistry |
| Grant Support | |
ID/Acronym/Agency:
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GM066041/GM/NIGMS NIH HHS |
| Chemical | |
Reg. No./Substance:
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0/Amino Acids; 0/Buffers; 56-86-0/Glutamic Acid; 61-90-5/Leucine; 7004-03-7/Valine; 7782-39-0/Deuterium |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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