Quantification of crocetin esters in saffron (Crocus sativus L.) using Raman spectroscopy and chemometrics

dc.contributor.author	Anastasaki, EG	en
dc.contributor.author	Kanakis, CD	en
dc.contributor.author	Pappas, C	en
dc.contributor.author	Maggi, L	en
dc.contributor.author	Zalacain, A	en
dc.contributor.author	Carmona, M	en
dc.contributor.author	Alonso, GL	en
dc.contributor.author	Polissiou, MG	en
dc.date.accessioned	2014-06-06T06:50:40Z
dc.date.available	2014-06-06T06:50:40Z
dc.date.issued	2010	en
dc.identifier.issn	00218561	en
dc.identifier.uri	http://dx.doi.org/10.1021/jf100143n	en
dc.identifier.uri	http://62.217.125.90/xmlui/handle/123456789/5108
dc.subject	Coloring strength	en
dc.subject	Crocins	en
dc.subject	HPLC chromatography	en
dc.subject	Partial least-squares PLS	en
dc.subject	Raman spectroscopy	en
dc.subject	Saffron	en
dc.subject.other	carotenoid	en
dc.subject.other	crocetin	en
dc.subject.other	crocin	en
dc.subject.other	ester	en
dc.subject.other	article	en
dc.subject.other	calibration	en
dc.subject.other	chemistry	en
dc.subject.other	color	en
dc.subject.other	Crocus	en
dc.subject.other	high performance liquid chromatography	en
dc.subject.other	methodology	en
dc.subject.other	quality control	en
dc.subject.other	Raman spectrometry	en
dc.subject.other	regression analysis	en
dc.subject.other	reproducibility	en
dc.subject.other	Calibration	en
dc.subject.other	Carotenoids	en
dc.subject.other	Chromatography, High Pressure Liquid	en
dc.subject.other	Color	en
dc.subject.other	Crocus	en
dc.subject.other	Esters	en
dc.subject.other	Least-Squares Analysis	en
dc.subject.other	Quality Control	en
dc.subject.other	Reproducibility of Results	en
dc.subject.other	Spectrum Analysis, Raman	en
dc.subject.other	Crocus sativus	en
dc.title	Quantification of crocetin esters in saffron (Crocus sativus L.) using Raman spectroscopy and chemometrics	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/jf100143n	en
heal.publicationDate	2010	en
heal.abstract	The feasibility of Raman spectroscopy for predicting the content of crocetin esters (crocins), and coloring strength was assessed. 114 samples from Greece, Iran, Italy and Spain were divided into two sets: a calibration set with 49 samples and a validation one with 65 samples. Calibration models for crocetin esters (r 0.97, RMSEC 0.92, RMSEP 0.97, RPD 3.46) and coloring strength (r 0.95, RMSEC 12.2, RMSEP 11.3, RPD 2.59) were built in the spectral region 1700-955 cm-1 using partial least-squares (PLS) regression. The calibration models were validated using cross-validation, leaving one sample out (r 0.97, RMSECV 1.09 for crocetin esters and r 0.93, RMSECV 14.5 for coloring strength). The crocetin esters content as determined by liquid chromatography fluctuated between 18.8 and 31.7 mg/100 g saffron. The corresponding values, as calculated using the Raman method, fluctuated between 19.2 and 32.0 mg/100 g saffron. The coloring strength determined by the reference method ranged from 177.0 to 296.7 units, while with the Raman method the values were between 186.8 and 297.6 units. The results, as compared to the reference methods (liquid chromatography and UV-vis spectrophotometry), show that the proposed methodology gives data with acceptable accuracy. The proposed models can be used as a tool for rapid screening of quality in saffron samples. © 2010 American Chemical Society.	en
heal.journalName	Journal of Agricultural and Food Chemistry	en
dc.identifier.issue	10	en
dc.identifier.volume	58	en
dc.identifier.doi	10.1021/jf100143n	en
dc.identifier.spage	6011	en
dc.identifier.epage	6017	en