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Pregled bibliografske jedinice broj: 441341

Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis


Kopriva, Ivica; Jerić, Ivanka
Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis // Analytical chemistry, 82 (2010), 5; 1911-1920 doi:10.1021/ac902640y (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 441341 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis

Autori
Kopriva, Ivica ; Jerić, Ivanka

Izvornik
Analytical chemistry (0003-2700) 82 (2010), 5; 1911-1920

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
blind source separation; single analyte points; NMR spectrosocopy; mass spectrometry

Sažetak
Metabolic profiling of biological samples involves nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry coupled with powerful statistical tools for complex data analysis. Here, we report a robust, sparseness-based method for the blind separation of analytes from mixtures recorded in spectroscopic and spectrometric measurements. The advantage of the proposed method in comparison to alternative blind decomposition schemes is that it is capable of estimating the number of analytes, their concentrations, and the analytes themselves, from available mixtures only. The number of analytes can be less than, equal to or greater than the number of mixtures. The method is exemplified on blind extraction of four analytes from three mixtures in 2D NMR spectroscopy and five analytes from two mixtures in mass spectrometry. The proposed methodology is of widespread significance for natural products research and the field of metabolic studies, wherein mixtures represent samples isolated from biological fluids or tissue extracts.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Računarstvo



POVEZANOST RADA


Projekti:
098-0982903-2558 - Analiza višespektralih podataka (Kopriva, Ivica, MZOS ) ( POIROT)
098-0982933-2936 - Kemijske preobrazbe prirodnih spojeva (Varga-Defterdarović, Lidija, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Ivica Kopriva (autor)

Avatar Url Ivanka Jerić (autor)

Citiraj ovu publikaciju

Kopriva, Ivica; Jerić, Ivanka
Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis // Analytical chemistry, 82 (2010), 5; 1911-1920 doi:10.1021/ac902640y (međunarodna recenzija, članak, znanstveni)
Kopriva, I. & Jerić, I. (2010) Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis. Analytical chemistry, 82 (5), 1911-1920 doi:10.1021/ac902640y.
@article{article, year = {2010}, pages = {1911-1920}, DOI = {10.1021/ac902640y}, keywords = {blind source separation, single analyte points, NMR spectrosocopy, mass spectrometry}, journal = {Analytical chemistry}, doi = {10.1021/ac902640y}, volume = {82}, number = {5}, issn = {0003-2700}, title = {Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis}, keyword = {blind source separation, single analyte points, NMR spectrosocopy, mass spectrometry} }
@article{article, year = {2010}, pages = {1911-1920}, DOI = {10.1021/ac902640y}, keywords = {blind source separation, single analyte points, NMR spectrosocopy, mass spectrometry}, journal = {Analytical chemistry}, doi = {10.1021/ac902640y}, volume = {82}, number = {5}, issn = {0003-2700}, title = {Blind separation of analytes in nuclear magnetic resonance spectroscopy and mass spectrometry: sparseness-based robust multicomponent analysis}, keyword = {blind source separation, single analyte points, NMR spectrosocopy, mass spectrometry} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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