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Quantitative structure-activity relationships (QSAR) of aroma compounds in different aged Huangjiu.
J Food Sci. 2020 Oct; 85(10):3273-3281.JF

Abstract

Huangjiu is a traditional wine in China with special taste and flavor. However, changes of aroma compounds during storage of Huangjiu remain unclear. In this study, aroma compounds in Jinse Nianhua Huangjiu of three different storage ages were qualitatively and quantitatively analyzed via headspace solid phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS). Based on odor activity value (OAV), the most important aroma compounds were found to be esters, aldehydes, alcohols, acids, ketones, phenols, and lactones. Even though the types of the aroma compounds were similar in different-aged Huangjiu, the concentrations of some compounds varied. Some aroma compounds' thresholds and OAV in Huangjiu were obtained by AC'Scent Intl. Olfactometer. It showed the key aroma compounds in Huangjiu had a positive correlation with their OAV instead of concentration. Quantitative structure-activity relationship (QSAR) models were developed to predict the flavor thresholds for alcohols, acids, and esters in Huangjiu, with higher accuracy for alcohols (R2 = 0.978) and acids (R2 = 0.987). This study will provide valuable information to unveil the regulation of Huangjiu flavor from molecular basis. PRACTICAL APPLICATION: The built mathematical model enables to predict changes of aroma compounds in Huangjiu during storage, based on the relationship between the quantum structure parameters of those aroma compounds and the odor activity value of flavor chemicals. This research will contribute to simplifying the wine flavor analysis for wine industry and also help to identify the age of the Huangjiu for customers.

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Publisher Full Text (DOI)

Authors+Show Affiliations

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

Shanghai Kangshi Food Technology Co., Ltd., No. 1978 Lianhua Rd., Shanghai, 201103, China.

Dept. of Food Science and Technology, The Ohio State Univ., 2015 Fyffe Rd., Columbus, OH, 43210, U.S.A.

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

School of Perfume and Aroma Technology, Shanghai Inst. of Technology, No. 100 Hai Quan Rd., Shanghai, 201418, China.

MeSH

AlcoholsChinaFlavoring AgentsFood HandlingGas Chromatography-Mass SpectrometryHumansLactonesOdorantsOlfactometryPhenolsQuantitative Structure-Activity RelationshipSolid Phase MicroextractionTasteTime FactorsVolatile Organic CompoundsWine

Pub Type(s)

Journal Article

Language

eng

PubMed ID

32918279

Citation

Feng, Tao, et al. "Quantitative Structure-activity Relationships (QSAR) of Aroma Compounds in Different Aged Huangjiu." Journal of Food Science, vol. 85, no. 10, 2020, pp. 3273-3281.

Feng T, Hu Z, Chen L, et al. Quantitative structure-activity relationships (QSAR) of aroma compounds in different aged Huangjiu. J Food Sci. 2020;85(10):3273-3281.

Feng, T., Hu, Z., Chen, L., Chen, D., Wang, X., Yao, L., Sun, M., Song, S., & Wang, H. (2020). Quantitative structure-activity relationships (QSAR) of aroma compounds in different aged Huangjiu. Journal of Food Science, 85(10), 3273-3281. https://doi.org/10.1111/1750-3841.15421

Feng T, et al. Quantitative Structure-activity Relationships (QSAR) of Aroma Compounds in Different Aged Huangjiu. J Food Sci. 2020;85(10):3273-3281. PubMed PMID: 32918279.

* Article titles in AMA citation format should be in sentence-case

TY - JOUR T1 - Quantitative structure-activity relationships (QSAR) of aroma compounds in different aged Huangjiu. AU - Feng,Tao, AU - Hu,Zhongshan, AU - Chen,Ling, AU - Chen,Da, AU - Wang,Xu, AU - Yao,Lingyun, AU - Sun,Min, AU - Song,Shiqing, AU - Wang,Huatian, Y1 - 2020/09/12/ PY - 2020/05/08/received PY - 2020/07/06/revised PY - 2020/07/21/accepted PY - 2020/9/13/pubmed PY - 2020/12/15/medline PY - 2020/9/12/entrez KW - AC'Scent Intl. Olfactometer KW - HS-SPME KW - Huangjiu KW - QSAR KW - olfactory threshold SP - 3273 EP - 3281 JF - Journal of food science JO - J Food Sci VL - 85 IS - 10 N2 - Huangjiu is a traditional wine in China with special taste and flavor. However, changes of aroma compounds during storage of Huangjiu remain unclear. In this study, aroma compounds in Jinse Nianhua Huangjiu of three different storage ages were qualitatively and quantitatively analyzed via headspace solid phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS). Based on odor activity value (OAV), the most important aroma compounds were found to be esters, aldehydes, alcohols, acids, ketones, phenols, and lactones. Even though the types of the aroma compounds were similar in different-aged Huangjiu, the concentrations of some compounds varied. Some aroma compounds' thresholds and OAV in Huangjiu were obtained by AC'Scent Intl. Olfactometer. It showed the key aroma compounds in Huangjiu had a positive correlation with their OAV instead of concentration. Quantitative structure-activity relationship (QSAR) models were developed to predict the flavor thresholds for alcohols, acids, and esters in Huangjiu, with higher accuracy for alcohols (R2 = 0.978) and acids (R2 = 0.987). This study will provide valuable information to unveil the regulation of Huangjiu flavor from molecular basis. PRACTICAL APPLICATION: The built mathematical model enables to predict changes of aroma compounds in Huangjiu during storage, based on the relationship between the quantum structure parameters of those aroma compounds and the odor activity value of flavor chemicals. This research will contribute to simplifying the wine flavor analysis for wine industry and also help to identify the age of the Huangjiu for customers. SN - 1750-3841 UR - https://www.unboundmedicine.com/medline/citation/32918279/Quantitative_structure_activity_relationships__QSAR__of_aroma_compounds_in_different_aged_Huangjiu_ DB - PRIME DP - Unbound Medicine ER -