Accurate estimation of diffusion coefficient for molecular identification in a complex background
To eliminate the effects of complex background signals and to enhance the accuracy of the diffusion coefficient measurement, derivative NMR spectroscopy with negligible loss of the spectral quality is introduced based on the customized Savitzky-Golay method and used to construct diffusion-ordered NM...
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| Veröffentlicht in: | Analytical and bioanalytical chemistry 2020-07, Vol.412 (19), p.4519-4525 |
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| container_title | Analytical and bioanalytical chemistry |
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| creator | Yuan, Bin Zhang, Xu Kamal, Ghulam Mustafa Jiang, Bin Liu, Maili |
| description | To eliminate the effects of complex background signals and to enhance the accuracy of the diffusion coefficient measurement, derivative NMR spectroscopy with negligible loss of the spectral quality is introduced based on the customized Savitzky-Golay method and used to construct diffusion-ordered NMR spectroscopy (DOSY). The criterion of the method was established by simulations. The application of this method on mouse urine and serum showed that the accuracy and precision of diffusion coefficient measurements in a complex background were improved to enhance the identification of molecules.
Graphical abstract
Diffusion-ordered NMR spectroscopy is a powerful tool for analyzing complex mixtures. To improve the accuracy of diffusion coefficient measurement, the magnitude of complex derivative spectra is introduced as a post-processing method to eliminate the effects of background signals, broad signals, or distorted baseline. And thus, accurate estimate of the diffusion coefficient is ensured to enhance the molecule identification. |
| doi_str_mv | 10.1007/s00216-020-02693-7 |
| format | Article |
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Graphical abstract
Diffusion-ordered NMR spectroscopy is a powerful tool for analyzing complex mixtures. To improve the accuracy of diffusion coefficient measurement, the magnitude of complex derivative spectra is introduced as a post-processing method to eliminate the effects of background signals, broad signals, or distorted baseline. And thus, accurate estimate of the diffusion coefficient is ensured to enhance the molecule identification.</description><identifier>ISSN: 1618-2642</identifier><identifier>EISSN: 1618-2650</identifier><identifier>DOI: 10.1007/s00216-020-02693-7</identifier><identifier>PMID: 32405677</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer Berlin Heidelberg</publisher><subject>Analytical Chemistry ; Animals ; Biochemistry ; Characterization and Evaluation of Materials ; Chemistry ; Chemistry and Materials Science ; Diffusion ; Diffusion coefficient ; Food Science ; Laboratory Medicine ; Magnetic resonance spectroscopy ; Magnetic Resonance Spectroscopy - methods ; Mice ; Monitoring/Environmental Analysis ; NMR ; NMR spectroscopy ; Nuclear magnetic resonance ; Nuclear magnetic resonance spectroscopy ; Research Paper ; Serum - chemistry ; Spectroscopy ; Spectrum analysis ; Urine - chemistry</subject><ispartof>Analytical and bioanalytical chemistry, 2020-07, Vol.412 (19), p.4519-4525</ispartof><rights>Springer-Verlag GmbH Germany, part of Springer Nature 2020</rights><rights>COPYRIGHT 2020 Springer</rights><rights>Springer-Verlag GmbH Germany, part of Springer Nature 2020.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c451t-ea154bc031152efc69e58c1cf465963473144f36bc9b846f518b25f2a2420a43</citedby><cites>FETCH-LOGICAL-c451t-ea154bc031152efc69e58c1cf465963473144f36bc9b846f518b25f2a2420a43</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s00216-020-02693-7$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s00216-020-02693-7$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27923,27924,41487,42556,51318</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32405677$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Yuan, Bin</creatorcontrib><creatorcontrib>Zhang, Xu</creatorcontrib><creatorcontrib>Kamal, Ghulam Mustafa</creatorcontrib><creatorcontrib>Jiang, Bin</creatorcontrib><creatorcontrib>Liu, Maili</creatorcontrib><title>Accurate estimation of diffusion coefficient for molecular identification in a complex background</title><title>Analytical and bioanalytical chemistry</title><addtitle>Anal Bioanal Chem</addtitle><addtitle>Anal Bioanal Chem</addtitle><description>To eliminate the effects of complex background signals and to enhance the accuracy of the diffusion coefficient measurement, derivative NMR spectroscopy with negligible loss of the spectral quality is introduced based on the customized Savitzky-Golay method and used to construct diffusion-ordered NMR spectroscopy (DOSY). The criterion of the method was established by simulations. The application of this method on mouse urine and serum showed that the accuracy and precision of diffusion coefficient measurements in a complex background were improved to enhance the identification of molecules.
Graphical abstract
Diffusion-ordered NMR spectroscopy is a powerful tool for analyzing complex mixtures. To improve the accuracy of diffusion coefficient measurement, the magnitude of complex derivative spectra is introduced as a post-processing method to eliminate the effects of background signals, broad signals, or distorted baseline. 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Academic</collection><jtitle>Analytical and bioanalytical chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yuan, Bin</au><au>Zhang, Xu</au><au>Kamal, Ghulam Mustafa</au><au>Jiang, Bin</au><au>Liu, Maili</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Accurate estimation of diffusion coefficient for molecular identification in a complex background</atitle><jtitle>Analytical and bioanalytical chemistry</jtitle><stitle>Anal Bioanal Chem</stitle><addtitle>Anal Bioanal Chem</addtitle><date>2020-07-01</date><risdate>2020</risdate><volume>412</volume><issue>19</issue><spage>4519</spage><epage>4525</epage><pages>4519-4525</pages><issn>1618-2642</issn><eissn>1618-2650</eissn><abstract>To eliminate the effects of complex background signals and to enhance the accuracy of the diffusion coefficient measurement, derivative NMR spectroscopy with negligible loss of the spectral quality is introduced based on the customized Savitzky-Golay method and used to construct diffusion-ordered NMR spectroscopy (DOSY). The criterion of the method was established by simulations. The application of this method on mouse urine and serum showed that the accuracy and precision of diffusion coefficient measurements in a complex background were improved to enhance the identification of molecules.
Graphical abstract
Diffusion-ordered NMR spectroscopy is a powerful tool for analyzing complex mixtures. To improve the accuracy of diffusion coefficient measurement, the magnitude of complex derivative spectra is introduced as a post-processing method to eliminate the effects of background signals, broad signals, or distorted baseline. And thus, accurate estimate of the diffusion coefficient is ensured to enhance the molecule identification.</abstract><cop>Berlin/Heidelberg</cop><pub>Springer Berlin Heidelberg</pub><pmid>32405677</pmid><doi>10.1007/s00216-020-02693-7</doi><tpages>7</tpages></addata></record> |
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| subjects | Analytical Chemistry Animals Biochemistry Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Diffusion Diffusion coefficient Food Science Laboratory Medicine Magnetic resonance spectroscopy Magnetic Resonance Spectroscopy - methods Mice Monitoring/Environmental Analysis NMR NMR spectroscopy Nuclear magnetic resonance Nuclear magnetic resonance spectroscopy Research Paper Serum - chemistry Spectroscopy Spectrum analysis Urine - chemistry |
| title | Accurate estimation of diffusion coefficient for molecular identification in a complex background |
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