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Identification of flavor modulating compounds that positively impact coffee quality.
Food Chem. 2019 Dec 15; 301:125250.FC

Abstract

Untargeted LC/MS flavoromic profiling was utilized to identify compounds that positively impact coffee quality. The chemical profiles of eighteen coffee samples and the corresponding Specialty Coffee Association (SCA) cup scores were modeled by orthogonal partial least squares (OPLS) analysis with good fit and predictive ability (R2Y > 0.9, Q2 > 0.9). Four highly predictive chemical compounds positively correlated to cup score were subsequently isolated and purified (>90%) by multi-dimensional preparative LC/MS fractionation. Sensory recombination analysis by certified SCA Q-graders (n = 5) confirmed three out of four compounds significantly increased cup score when added to a control coffee (p < 0.001). Based on accurate mass spectrometry and NMR experiments, the compound structures were identified as novel compounds 3-O-caffeoyl-4-O-3-methylbutanoylquinic acid, and the corresponding lactone 3-O-caffeoyl-4-O-3-methylbutanoyl-1,5-quinide, as well as an unknown phenolic derivative containing a 3-methylbutanoyl moiety ([M-H]-1, m/z 671). No direct flavor activity was observed for each compound, indicating these compounds act as flavor-modifiers.

Authors+Show Affiliations

Department of Food Science and Technology, 317 Parker Food Science & Technology Building, The Ohio State University, 2015 Fyffe Rd., Columbus, OH 43210, United States.Department of Food Science and Technology, 317 Parker Food Science & Technology Building, The Ohio State University, 2015 Fyffe Rd., Columbus, OH 43210, United States.Department of Food Science and Technology, 317 Parker Food Science & Technology Building, The Ohio State University, 2015 Fyffe Rd., Columbus, OH 43210, United States.Department of Food Science and Technology, 317 Parker Food Science & Technology Building, The Ohio State University, 2015 Fyffe Rd., Columbus, OH 43210, United States. Electronic address: peterson.892@osu.edu.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31377616

Citation

Sittipod, Sichaya, et al. "Identification of Flavor Modulating Compounds That Positively Impact Coffee Quality." Food Chemistry, vol. 301, 2019, p. 125250.
Sittipod S, Schwartz E, Paravisini L, et al. Identification of flavor modulating compounds that positively impact coffee quality. Food Chem. 2019;301:125250.
Sittipod, S., Schwartz, E., Paravisini, L., & Peterson, D. G. (2019). Identification of flavor modulating compounds that positively impact coffee quality. Food Chemistry, 301, 125250. https://doi.org/10.1016/j.foodchem.2019.125250
Sittipod S, et al. Identification of Flavor Modulating Compounds That Positively Impact Coffee Quality. Food Chem. 2019 Dec 15;301:125250. PubMed PMID: 31377616.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Identification of flavor modulating compounds that positively impact coffee quality. AU - Sittipod,Sichaya, AU - Schwartz,Eric, AU - Paravisini,Laurianne, AU - Peterson,Devin G, Y1 - 2019/07/24/ PY - 2019/03/26/received PY - 2019/07/23/revised PY - 2019/07/23/accepted PY - 2019/8/5/pubmed PY - 2019/10/24/medline PY - 2019/8/5/entrez KW - Coffee KW - Flavor KW - Flavoromics KW - Modulator KW - Quality KW - SCA cup score KW - Untargeted chemical profiling SP - 125250 EP - 125250 JF - Food chemistry JO - Food Chem VL - 301 N2 - Untargeted LC/MS flavoromic profiling was utilized to identify compounds that positively impact coffee quality. The chemical profiles of eighteen coffee samples and the corresponding Specialty Coffee Association (SCA) cup scores were modeled by orthogonal partial least squares (OPLS) analysis with good fit and predictive ability (R2Y > 0.9, Q2 > 0.9). Four highly predictive chemical compounds positively correlated to cup score were subsequently isolated and purified (>90%) by multi-dimensional preparative LC/MS fractionation. Sensory recombination analysis by certified SCA Q-graders (n = 5) confirmed three out of four compounds significantly increased cup score when added to a control coffee (p < 0.001). Based on accurate mass spectrometry and NMR experiments, the compound structures were identified as novel compounds 3-O-caffeoyl-4-O-3-methylbutanoylquinic acid, and the corresponding lactone 3-O-caffeoyl-4-O-3-methylbutanoyl-1,5-quinide, as well as an unknown phenolic derivative containing a 3-methylbutanoyl moiety ([M-H]-1, m/z 671). No direct flavor activity was observed for each compound, indicating these compounds act as flavor-modifiers. SN - 1873-7072 UR - https://www.unboundmedicine.com/medline/citation/31377616/Identification_of_flavor_modulating_compounds_that_positively_impact_coffee_quality_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0308-8146(19)31359-7 DB - PRIME DP - Unbound Medicine ER -