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ARS Home » Northeast Area » Beltsville, Maryland (BHNRC) » Beltsville Human Nutrition Research Center » Food Composition and Methods Development Laboratory » Research » Publications at this Location » Publication #321319
Title: Differentiation of Bread Made with Whole Grain and Refined Wheat (T. aestivum) Flour Using LC/MS-based chromatographic Fingerprinting and Chemometric Approaches

Author
item Geng, Ping
item Harnly, James - Jim
item Chen, Pei

Submitted to: Journal of Food Composition and Analysis
Publication Type: Peer Reviewed Journal
Publication Acceptance Date: 1/28/2016
Publication Date: 1/28/2016
Citation: Geng, P., Harnly, J.M., Chen, P. 2016. Differentiation of Bread Made with Whole Grain and Refined Wheat (T. aestivum) Flour Using LC/MS-based chromatographic Fingerprinting and Chemometric Approaches. Journal of Food Composition and Analysis. 47:92-100.

Interpretive Summary: A fuzzy chromatography mass spectrometric (FCMS) fingerprinting method combined with chemometric analysis was established to diffrentiate between breads made from whole wheat (WW) flours and refined wheat (RW) flour. The chemical compositions of the bread samples were profiled. Chemometric analysis revealed the components responsible for the chemical differences between WW and RW flour/bread samples. Alk (en) ylresorcinols (ARs) were demonstrated to be the most important markers for differentiation between WW and RW flour/breads. Diglycerides (DGs), phosphatidylethanolamine (PE), and phytosterols also contributed significantly to the classification. Bread crumb and crust showed no difference in chemical profiles in this study.

Technical Abstract: A fuzzy chromatography mass spectrometric (FCMS) fingerprinting method combined with chemometric analysis was established to diffrentiate between whole wheat (WW) flours and refined wheat (RW) flour, and the breads made from them. The chemical compositions of the bread samples were profiled using high-resolution accurate-mass multi-stage mass spectrometry (UHPLC-HRAM-MSn) with atmospheric pressure chemical ionization (APCI) in positive ionization mode. Principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA) of the FCMS fingerprints revealed the components responsible for the chemical differences between WW and RW flour/bread samples. Alk (en) ylresorcinols (ARs) were demonstrated to be the most important markers for differentiation between WW and RW flour/breads. Diglycerides (DGs), phosphatidylethanolamine (PE), and phytosterols also contributed significantly to the classification. Bread crumb and crust showed no difference in chemical profiles in this study. SIMCA, using WW modeling, could be a potent and robust tool for authentication of WW breads.