Tags

Type your tag names separated by a space and hit enter

Combined untargeted and targeted fingerprinting with comprehensive two-dimensional chromatography for volatiles and ripening indicators in olive oil.
Anal Chim Acta. 2016 Sep 14; 936:245-58.AC

Abstract

Comprehensive two-dimensional gas chromatography (GC × GC) is the most effective multidimensional separation technique for in-depth investigations of complex samples of volatiles (VOC) in food. However, each analytical run produces dense, multi-dimensional data, so elaboration and interpretation of chemical information is challenging. This study exploits recent advances of GC × GC-MS chromatographic fingerprinting to study VOCs distributions from Extra Virgin Olive Oil (EVOO) samples of a single botanical origin (Picual), cultivated in well-defined plots in Granada (Spain), and harvested at different maturation stages. A new integrated work-flow, fully supported by dedicated and automated software tools, combines untargeted and targeted (UT) approaches based on peak-region features to achieve the most inclusive fingerprinting. Combined results from untargeted and targeted methods are consistent, reliable, and informative on discriminant features (analytes) correlated with optimal ripening of olive fruits and sensory quality of EVOOs. The great flexibility of the UT fingerprinting here adopted enables retrospective analysis with great confidence and provides data to validate the transferability of ripening indicators ((Z)-3-hexenal, (Z)-2-hexenal, (E)-2-pentenal, nonanal, 6-methyl-5-hepten-2-one, octane) to external samples sets. Direct image comparison, based on visual features, also is investigated for quick and effective pair-wise investigations. Its implementation with reliable metadata generated by UT fingerprinting confirms the maturity of 2D data elaboration tools and makes advanced image processing a real perspective.

Authors+Show Affiliations

Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Turin, Italy.Department Analytical Chemistry, Faculty of Science, University of Granada, C/Fuentenueva s/n, 18071, Granada, Spain.Department Analytical Chemistry, Faculty of Science, University of Granada, C/Fuentenueva s/n, 18071, Granada, Spain.Department Analytical Chemistry, Faculty of Science, University of Granada, C/Fuentenueva s/n, 18071, Granada, Spain.University of Nebraska - Lincoln, Lincoln, NE 68588-0115, USA.Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Turin, Italy.Dipartimento di Scienza e Tecnologia del Farmaco, Università di Torino, Turin, Italy. Electronic address: chiara.cordero@unito.it.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

27566362

Citation

Magagna, Federico, et al. "Combined Untargeted and Targeted Fingerprinting With Comprehensive Two-dimensional Chromatography for Volatiles and Ripening Indicators in Olive Oil." Analytica Chimica Acta, vol. 936, 2016, pp. 245-58.
Magagna F, Valverde-Som L, Ruíz-Samblás C, et al. Combined untargeted and targeted fingerprinting with comprehensive two-dimensional chromatography for volatiles and ripening indicators in olive oil. Anal Chim Acta. 2016;936:245-58.
Magagna, F., Valverde-Som, L., Ruíz-Samblás, C., Cuadros-Rodríguez, L., Reichenbach, S. E., Bicchi, C., & Cordero, C. (2016). Combined untargeted and targeted fingerprinting with comprehensive two-dimensional chromatography for volatiles and ripening indicators in olive oil. Analytica Chimica Acta, 936, 245-58. https://doi.org/10.1016/j.aca.2016.07.005
Magagna F, et al. Combined Untargeted and Targeted Fingerprinting With Comprehensive Two-dimensional Chromatography for Volatiles and Ripening Indicators in Olive Oil. Anal Chim Acta. 2016 Sep 14;936:245-58. PubMed PMID: 27566362.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Combined untargeted and targeted fingerprinting with comprehensive two-dimensional chromatography for volatiles and ripening indicators in olive oil. AU - Magagna,Federico, AU - Valverde-Som,Lucia, AU - Ruíz-Samblás,Cristina, AU - Cuadros-Rodríguez,Luis, AU - Reichenbach,Stephen E, AU - Bicchi,Carlo, AU - Cordero,Chiara, Y1 - 2016/07/12/ PY - 2016/05/13/received PY - 2016/06/27/revised PY - 2016/07/01/accepted PY - 2016/8/28/entrez PY - 2016/8/28/pubmed PY - 2018/1/19/medline KW - Comprehensive two-dimensional gas chromatography-mass spectrometry KW - Extra Virgin Olive Oil KW - Olives ripening KW - Retrospective investigations KW - Untargeted and targeted fingerprinting SP - 245 EP - 58 JF - Analytica chimica acta JO - Anal Chim Acta VL - 936 N2 - Comprehensive two-dimensional gas chromatography (GC × GC) is the most effective multidimensional separation technique for in-depth investigations of complex samples of volatiles (VOC) in food. However, each analytical run produces dense, multi-dimensional data, so elaboration and interpretation of chemical information is challenging. This study exploits recent advances of GC × GC-MS chromatographic fingerprinting to study VOCs distributions from Extra Virgin Olive Oil (EVOO) samples of a single botanical origin (Picual), cultivated in well-defined plots in Granada (Spain), and harvested at different maturation stages. A new integrated work-flow, fully supported by dedicated and automated software tools, combines untargeted and targeted (UT) approaches based on peak-region features to achieve the most inclusive fingerprinting. Combined results from untargeted and targeted methods are consistent, reliable, and informative on discriminant features (analytes) correlated with optimal ripening of olive fruits and sensory quality of EVOOs. The great flexibility of the UT fingerprinting here adopted enables retrospective analysis with great confidence and provides data to validate the transferability of ripening indicators ((Z)-3-hexenal, (Z)-2-hexenal, (E)-2-pentenal, nonanal, 6-methyl-5-hepten-2-one, octane) to external samples sets. Direct image comparison, based on visual features, also is investigated for quick and effective pair-wise investigations. Its implementation with reliable metadata generated by UT fingerprinting confirms the maturity of 2D data elaboration tools and makes advanced image processing a real perspective. SN - 1873-4324 UR - https://www.unboundmedicine.com/medline/citation/27566362/Combined_untargeted_and_targeted_fingerprinting_with_comprehensive_two_dimensional_chromatography_for_volatiles_and_ripening_indicators_in_olive_oil_ DB - PRIME DP - Unbound Medicine ER -