Profiling food volatiles by comprehensive two-dimensional ga schromatography coupled with mass spectrometry

Advanced fingerprinting approaches for comparative analysis of the volatile fraction of roasted hazelnuts (Corylus avellana L.) from different origins

Chiara Cordero, Erica Liberto, Carlo Bicchi, Patrizia Rubiolo, Peter Schieberle, Stephen E Reichenbach, Qingping Tao

Research output: Contribution to journalArticle

64 Citations (Scopus)

Abstract

This study examined how advanced fingerprinting methods (i.e., non-targeted methods) provide reliable and specific information about groups of samples based on their component distribution on the GC × GC chromatographic plane. The volatile fractions of roasted hazelnuts (Corylus avellana L.) from nine different geographical origins, comparably roasted for desirable flavor and texture, were sampled by headspace-solid phase micro extraction (HS-SPME) and then analyzed by GC × GC-qMS. The resulting patterns were processed by: (a) " chromatographic fingerprinting" , i.e., a pattern recognition procedure based on retention-time criteria, where peaks correspondences were established through a comprehensive peak pattern covering the chromatographic plane; and (b) " comprehensive template matching" with reliable peak matching, where peak correspondences were constrained by retention time and MS fragmentation pattern similarity criteria. Fingerprinting results showed how the discrimination potential of GC × GC can be increased by including in sample comparisons and correlations all the detected components and, in addition, provide reliable results in a comparative analysis by locating compounds with a significant role. Results were completed by a chemical speciation of volatiles and sample profiling was extended to known markers whose distribution can be correlated to sensory properties, geographical origin, or the effect of thermal treatment on different classes of compounds. The comprehensive approach for data interpretation here proposed may be useful to assess product specificity and quality, through measurable parameters strictly and consistently correlated to sensory properties and origin.

Original languageEnglish (US)
Pages (from-to)5848-5858
Number of pages11
JournalJournal of Chromatography A
Volume1217
Issue number37
DOIs
StatePublished - Sep 1 2010

Fingerprint

Corylus
Chemical speciation
Template matching
Flavors
Pattern recognition
Mass spectrometry
Mass Spectrometry
Textures
Heat treatment
Food
Solid Phase Extraction
Hot Temperature

Keywords

  • Comprehensive template matching fingerprinting
  • Corylus avellana L. volatile fraction
  • Fingerprint analysis
  • GC×GC
  • Key-aroma markers
  • Roasted hazelnut

ASJC Scopus subject areas

  • Analytical Chemistry
  • Biochemistry
  • Organic Chemistry

Cite this

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title = "Profiling food volatiles by comprehensive two-dimensional ga schromatography coupled with mass spectrometry: Advanced fingerprinting approaches for comparative analysis of the volatile fraction of roasted hazelnuts (Corylus avellana L.) from different origins",
abstract = "This study examined how advanced fingerprinting methods (i.e., non-targeted methods) provide reliable and specific information about groups of samples based on their component distribution on the GC × GC chromatographic plane. The volatile fractions of roasted hazelnuts (Corylus avellana L.) from nine different geographical origins, comparably roasted for desirable flavor and texture, were sampled by headspace-solid phase micro extraction (HS-SPME) and then analyzed by GC × GC-qMS. The resulting patterns were processed by: (a) {"} chromatographic fingerprinting{"} , i.e., a pattern recognition procedure based on retention-time criteria, where peaks correspondences were established through a comprehensive peak pattern covering the chromatographic plane; and (b) {"} comprehensive template matching{"} with reliable peak matching, where peak correspondences were constrained by retention time and MS fragmentation pattern similarity criteria. Fingerprinting results showed how the discrimination potential of GC × GC can be increased by including in sample comparisons and correlations all the detected components and, in addition, provide reliable results in a comparative analysis by locating compounds with a significant role. Results were completed by a chemical speciation of volatiles and sample profiling was extended to known markers whose distribution can be correlated to sensory properties, geographical origin, or the effect of thermal treatment on different classes of compounds. The comprehensive approach for data interpretation here proposed may be useful to assess product specificity and quality, through measurable parameters strictly and consistently correlated to sensory properties and origin.",
keywords = "Comprehensive template matching fingerprinting, Corylus avellana L. volatile fraction, Fingerprint analysis, GC×GC, Key-aroma markers, Roasted hazelnut",
author = "Chiara Cordero and Erica Liberto and Carlo Bicchi and Patrizia Rubiolo and Peter Schieberle and Reichenbach, {Stephen E} and Qingping Tao",
year = "2010",
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T1 - Profiling food volatiles by comprehensive two-dimensional ga schromatography coupled with mass spectrometry

T2 - Advanced fingerprinting approaches for comparative analysis of the volatile fraction of roasted hazelnuts (Corylus avellana L.) from different origins

AU - Cordero, Chiara

AU - Liberto, Erica

AU - Bicchi, Carlo

AU - Rubiolo, Patrizia

AU - Schieberle, Peter

AU - Reichenbach, Stephen E

AU - Tao, Qingping

PY - 2010/9/1

Y1 - 2010/9/1

N2 - This study examined how advanced fingerprinting methods (i.e., non-targeted methods) provide reliable and specific information about groups of samples based on their component distribution on the GC × GC chromatographic plane. The volatile fractions of roasted hazelnuts (Corylus avellana L.) from nine different geographical origins, comparably roasted for desirable flavor and texture, were sampled by headspace-solid phase micro extraction (HS-SPME) and then analyzed by GC × GC-qMS. The resulting patterns were processed by: (a) " chromatographic fingerprinting" , i.e., a pattern recognition procedure based on retention-time criteria, where peaks correspondences were established through a comprehensive peak pattern covering the chromatographic plane; and (b) " comprehensive template matching" with reliable peak matching, where peak correspondences were constrained by retention time and MS fragmentation pattern similarity criteria. Fingerprinting results showed how the discrimination potential of GC × GC can be increased by including in sample comparisons and correlations all the detected components and, in addition, provide reliable results in a comparative analysis by locating compounds with a significant role. Results were completed by a chemical speciation of volatiles and sample profiling was extended to known markers whose distribution can be correlated to sensory properties, geographical origin, or the effect of thermal treatment on different classes of compounds. The comprehensive approach for data interpretation here proposed may be useful to assess product specificity and quality, through measurable parameters strictly and consistently correlated to sensory properties and origin.

AB - This study examined how advanced fingerprinting methods (i.e., non-targeted methods) provide reliable and specific information about groups of samples based on their component distribution on the GC × GC chromatographic plane. The volatile fractions of roasted hazelnuts (Corylus avellana L.) from nine different geographical origins, comparably roasted for desirable flavor and texture, were sampled by headspace-solid phase micro extraction (HS-SPME) and then analyzed by GC × GC-qMS. The resulting patterns were processed by: (a) " chromatographic fingerprinting" , i.e., a pattern recognition procedure based on retention-time criteria, where peaks correspondences were established through a comprehensive peak pattern covering the chromatographic plane; and (b) " comprehensive template matching" with reliable peak matching, where peak correspondences were constrained by retention time and MS fragmentation pattern similarity criteria. Fingerprinting results showed how the discrimination potential of GC × GC can be increased by including in sample comparisons and correlations all the detected components and, in addition, provide reliable results in a comparative analysis by locating compounds with a significant role. Results were completed by a chemical speciation of volatiles and sample profiling was extended to known markers whose distribution can be correlated to sensory properties, geographical origin, or the effect of thermal treatment on different classes of compounds. The comprehensive approach for data interpretation here proposed may be useful to assess product specificity and quality, through measurable parameters strictly and consistently correlated to sensory properties and origin.

KW - Comprehensive template matching fingerprinting

KW - Corylus avellana L. volatile fraction

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KW - Key-aroma markers

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