Mostrar el registro sencillo del ítem
dc.contributor.author
Martínez Lozano Sinues, Pablo
dc.contributor.author
Alonso Salces, Rosa Maria
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.contributor.author
Zingaro, Lorenzo
dc.contributor.author
Finiguerra, Alessandro
dc.contributor.author
Holland, Margaret V.
dc.contributor.author
Guillou, Claude
dc.contributor.author
Cristoni, Simone
dc.date.available
2024-07-22T13:13:34Z
dc.date.issued
2012-11
dc.identifier.citation
Martínez Lozano Sinues, Pablo; Alonso Salces, Rosa Maria; Zingaro, Lorenzo; Finiguerra, Alessandro; Holland, Margaret V.; et al.; Mass spectrometry fingerprinting coupled to National Institute of Standards and Technology Mass Spectral search algorithm for pattern recognition; Elsevier Science; Analytica Chimica Acta; 755; 11-2012; 28-36
dc.identifier.issn
0003-2670
dc.identifier.uri
http://hdl.handle.net/11336/240493
dc.description.abstract
A new analytical strategy based on mass spectrometry fingerprinting combined with the NIST-MS search program for pattern recognition is evaluated and validated. A case study dealing with the tracing of the geographical origin of virgin olive oils (VOOs) proves the capabilities of mass spectrometry fingerprinting coupled with NIST-MS search program for classification. The volatile profiles of 220 VOOs from Liguria and other Mediterranean regions were analysed by secondary electrospray ionization-mass spectrometry (SESI-MS). MS spectra of VOOs were classified according to their origin by the freeware NIST-MS search v 2.0. The NIST classification results were compared to well-known pattern recognition techniques, such as linear discriminant analysis (LDA), partial least-squares discriminant analysis (PLS-DA), k-nearest neighbours (kNN), and counter-propagation artificial neural networks (CP-ANN). The NIST-MS search program predicted correctly 96% of the Ligurian VOOs and 92% of the non-Ligurian ones of an external independent data set; outperforming the traditional chemometric techniques (prediction abilities in the external validation achieved by kNN were 88% and 84% for the Ligurian and non-Ligurian categories respectively). This proves that the NIST-MS search software is a useful classification tool.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
National Institute of Standards and Technology Mass Spectral search algorithm
dc.subject
Mass spectrometry
dc.subject
Secondary electrospray ionization
dc.subject
Pattern recognition
dc.subject
Olive oil
dc.subject.classification
Química Analítica
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
Ciencias Químicas
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.title
Mass spectrometry fingerprinting coupled to National Institute of Standards and Technology Mass Spectral search algorithm for pattern recognition
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-07-16T12:01:56Z
dc.journal.volume
755
dc.journal.pagination
28-36
dc.journal.pais
Países Bajos
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Martínez Lozano Sinues, Pablo. Institute for Biomedical Technologies; Italia
dc.description.fil
Fil: Alonso Salces, Rosa Maria. Institute for Health and Consumer Protection; Italia. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Instituto de Investigaciones en Biociencias Agrícolas y Ambientales. Universidad de Buenos Aires. Facultad de Agronomía. Instituto de Investigaciones en Biociencias Agrícolas y Ambientales; Argentina
dc.description.fil
Fil: Zingaro, Lorenzo. ISB Ion Source & Biotechnologies Srl; Italia
dc.description.fil
Fil: Finiguerra, Alessandro. ISB Ion Source & Biotechnologies Srl; Italia
dc.description.fil
Fil: Holland, Margaret V.. Institute for Health and Consumer Protection; Italia
dc.description.fil
Fil: Guillou, Claude. Institute for Health and Consumer Protection; Italia
dc.description.fil
Fil: Cristoni, Simone. ISB Ion Source & Biotechnologies Srl; Italia. Consiglio Nazionale delle Ricerche; Italia
dc.journal.title
Analytica Chimica Acta
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0003267012014894
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.aca.2012.10.018
Archivos asociados