1H NMR metabolic fingerprinting of saffron extracts

Ali Yilmaz; Nils T Nyberg; Per Mølgaard; Javad Asili; Jerzy W Jaroszewski

doi:10.1007/s11306-010-0221-z

¹H NMR metabolic fingerprinting of saffron extracts

Ali Yilmaz, Nils T Nyberg, Per Mølgaard, Javad Asili, Jerzy W Jaroszewski

55 Citationer (Scopus)

Abstract

The aim of this study was to explore feasibility of ¹H NMR metabolic fingerprinting for discrimination of authenticity of saffron using principal component analysis (PCA) modeling. Authentic reference Iranian saffron (n = 31) and commercial samples (n = 32) were used. Cross-validated PCA models based on ¹H NMR spectra of solutions prepared by direct extraction of grinded saffron with methanol-d₄ distinguished reference Iranian saffron samples from commercial samples that formed several distinct clusters, some of which represent falsified samples as confirmed by microscopic analysis. The production sites and drying conditions of the authentic reference Iranian samples were not reflected in the current dataset. Picrocrocin and glycosyl esters of crocetin emerged as the most important ¹H NMR markers of authentic saffron by using statistical correlation spectroscopy. In conclusion, ¹H NMR spectra of saffron extracts combined with pattern recognition by PCA provide immediate means of unsupervised classification of saffron samples.

Originalsprog	Engelsk
Tidsskrift	Metabolomics
Vol/bind	6
Udgave nummer	4
Sider (fra-til)	511-517
ISSN	1573-3882
DOI	https://doi.org/10.1007/s11306-010-0221-z
Status	Udgivet - dec. 2010

Emneord

Det tidligere Farmaceutiske Fakultet

Adgang til dokumentet

10.1007/s11306-010-0221-z

Citationsformater

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title = "1H NMR metabolic fingerprinting of saffron extracts",

abstract = "The aim of this study was to explore feasibility of 1H NMR metabolic fingerprinting for discrimination of authenticity of saffron using principal component analysis (PCA) modeling. Authentic reference Iranian saffron (n = 31) and commercial samples (n = 32) were used. Cross-validated PCA models based on 1H NMR spectra of solutions prepared by direct extraction of grinded saffron with methanol-d4 distinguished reference Iranian saffron samples from commercial samples that formed several distinct clusters, some of which represent falsified samples as confirmed by microscopic analysis. The production sites and drying conditions of the authentic reference Iranian samples were not reflected in the current dataset. Picrocrocin and glycosyl esters of crocetin emerged as the most important 1H NMR markers of authentic saffron by using statistical correlation spectroscopy. In conclusion, 1H NMR spectra of saffron extracts combined with pattern recognition by PCA provide immediate means of unsupervised classification of saffron samples.",

keywords = "Former Faculty of Pharmaceutical Sciences",

author = "Ali Yilmaz and Nyberg, {Nils T} and Per M{\o}lgaard and Javad Asili and Jaroszewski, {Jerzy W}",

note = "Keywords: metabolite fingerprinting, saffron, 1H NMR, statistical spectroscopy, PCA",

year = "2010",

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doi = "10.1007/s11306-010-0221-z",

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T1 - 1H NMR metabolic fingerprinting of saffron extracts

AU - Yilmaz, Ali

AU - Nyberg, Nils T

AU - Mølgaard, Per

AU - Asili, Javad

AU - Jaroszewski, Jerzy W

N1 - Keywords: metabolite fingerprinting, saffron, 1H NMR, statistical spectroscopy, PCA

PY - 2010/12

Y1 - 2010/12

N2 - The aim of this study was to explore feasibility of 1H NMR metabolic fingerprinting for discrimination of authenticity of saffron using principal component analysis (PCA) modeling. Authentic reference Iranian saffron (n = 31) and commercial samples (n = 32) were used. Cross-validated PCA models based on 1H NMR spectra of solutions prepared by direct extraction of grinded saffron with methanol-d4 distinguished reference Iranian saffron samples from commercial samples that formed several distinct clusters, some of which represent falsified samples as confirmed by microscopic analysis. The production sites and drying conditions of the authentic reference Iranian samples were not reflected in the current dataset. Picrocrocin and glycosyl esters of crocetin emerged as the most important 1H NMR markers of authentic saffron by using statistical correlation spectroscopy. In conclusion, 1H NMR spectra of saffron extracts combined with pattern recognition by PCA provide immediate means of unsupervised classification of saffron samples.

AB - The aim of this study was to explore feasibility of 1H NMR metabolic fingerprinting for discrimination of authenticity of saffron using principal component analysis (PCA) modeling. Authentic reference Iranian saffron (n = 31) and commercial samples (n = 32) were used. Cross-validated PCA models based on 1H NMR spectra of solutions prepared by direct extraction of grinded saffron with methanol-d4 distinguished reference Iranian saffron samples from commercial samples that formed several distinct clusters, some of which represent falsified samples as confirmed by microscopic analysis. The production sites and drying conditions of the authentic reference Iranian samples were not reflected in the current dataset. Picrocrocin and glycosyl esters of crocetin emerged as the most important 1H NMR markers of authentic saffron by using statistical correlation spectroscopy. In conclusion, 1H NMR spectra of saffron extracts combined with pattern recognition by PCA provide immediate means of unsupervised classification of saffron samples.

KW - Former Faculty of Pharmaceutical Sciences

U2 - 10.1007/s11306-010-0221-z

DO - 10.1007/s11306-010-0221-z

M3 - Journal article

SN - 1573-3882

VL - 6

SP - 511

EP - 517

JO - Metabolomics

JF - Metabolomics

IS - 4