Integration of GC-MS, ROAV, and chemometrics to characterize key differential volatile compounds in wild and cultivated blueberries from Northeast China

The flavor of blueberries influences consumers' purchasing behavior and satisfaction, holding significant research value for enhancing market competitiveness. In this study, we analyzed the volatile metabolites of Wild blueberry (Wb) and Cultivated blueberry (Cb) in Northeast China (NC) using headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS), identifying 618 volatile organic compounds (VOCs). Through multivariate statistical analysis, 140 volatile differential compounds were detected between Wb and Cb, including trans -alpha-Bergamotene; 2-ButenoicAcid,2-methyl-; Benzoic acid,2-hydroxy-, ethylester; Benzoic acid, ethyl ester, above 4 VOCs were unique to Wb; while 28 VOCs, such as Carotol and 1-Hexanol, were unique to Cb. KEGG enrichment analysis indicated that α -Linolenic acid metabolism and Inflammatory mediator regulation of TRP channels are the key pathways for volatile differential substance formation. By employing relative odor activity value (ROAV) and chemometrics, 131 key aroma-presenting substances were identified. Among them, β -Ionone, 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl- with sweet and fruity aroma were the most crucial. Following comprehensive, in-depth analysis by HS-SPME-GC-MS and ROAV, Carotol and 1-Hexanol were found to be useful as biomarker compounds for distinguishing Wb and Cb. This study provides a theoretical basis for distinguishing the aroma characteristics of Wb and Cb in NC, the processing adaptability of different varieties of blueberries. • 32 VOCs could be used as key markers to distinguish Wb from Cb. • Identified 131 key aroma compounds with rOAV > 1 in blueberries. • α-Linolenic acid and Inflammatory mediators regulate TRP channels are key pathways. • Cb is more favorable for the accumulation of terpenoids volatile compounds. • Carotol and 1-Hexanol as biomarker for differentiating the aroma of Wb and Cb.

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Publication Details

Journal
LWT
Published
2025-05-23
DOI
https://doi.org/10.1016/j.lwt.2025.117950
Citations
10
Primary Topic
Phytochemicals and Antioxidant Activities
Type
article
Field-Weighted Citation Impact
7.74

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article

Integration of GC-MS, ROAV, and chemometrics to characterize key differential volatile compounds in wild and cultivated blueberries from Northeast China

Xin Guo, Yuehua Wang, Yu Nie, Jinlong Tian et al.
10 citations
LWT
Phytochemicals and Antioxidant Activities
7.74
article

Integration of GC-MS, ROAV, and chemometrics to characterize key differential volatile compounds in wild and cultivated blueberries from Northeast China

Xin Guo, Yuehua Wang, Yu Nie, Jinlong Tian, Baoru Yang, Yongqiang Zhou, Bowen Hu, Yiming Zhang, Yue Li, Siyuan Li, Xu Xie, Yumeng Wang, Bin Wen, Bin Li, Wang Ming-qian, Jia-Chen Shang
article en
10 citations

Abstract

The flavor of blueberries influences consumers' purchasing behavior and satisfaction, holding significant research value for enhancing market competitiveness. In this study, we analyzed the volatile metabolites of Wild blueberry (Wb) and Cultivated blueberry (Cb) in Northeast China (NC) using headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS), identifying 618 volatile organic compounds (VOCs). Through multivariate statistical analysis, 140 volatile differential compounds were detected between Wb and Cb, including trans -alpha-Bergamotene; 2-ButenoicAcid,2-methyl-; Benzoic acid,2-hydroxy-, ethylester; Benzoic acid, ethyl ester, above 4 VOCs were unique to Wb; while 28 VOCs, such as Carotol and 1-Hexanol, were unique to Cb. KEGG enrichment analysis indicated that α -Linolenic acid metabolism and Inflammatory mediator regulation of TRP channels are the key pathways for volatile differential substance formation. By employing relative odor activity value (ROAV) and chemometrics, 131 key aroma-presenting substances were identified. Among them, β -Ionone, 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl- with sweet and fruity aroma were the most crucial. Following comprehensive, in-depth analysis by HS-SPME-GC-MS and ROAV, Carotol and 1-Hexanol were found to be useful as biomarker compounds for distinguishing Wb and Cb. This study provides a theoretical basis for distinguishing the aroma characteristics of Wb and Cb in NC, the processing adaptability of different varieties of blueberries. • 32 VOCs could be used as key markers to distinguish Wb from Cb. • Identified 131 key aroma compounds with rOAV > 1 in blueberries. • α-Linolenic acid and Inflammatory mediators regulate TRP channels are key pathways. • Cb is more favorable for the accumulation of terpenoids volatile compounds. • Carotol and 1-Hexanol as biomarker for differentiating the aroma of Wb and Cb.

LWTVol. 225
Shenyang Agricultural University (CN), University of Turku (FI)
National Natural Science Foundation of China, National Key Research and Development Program of China
Zero hunger
Openalex Percentile: Top 2%
Phytochemicals and Antioxidant Activities
7.74
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