Food Bioscience
·
2022
·
IF 5.318
Qi Mei,Zhaona Xu,Quanye Wu,Likang Qin,Haiying Zeng,Yi Zhu
In this study, an untargeted metabolomics method based on LC-MS was used to investigate the differential metabolites of coix seed after fermentation by Monascus purpureus . The compounds with highly correlated variable importance in projection (VIP) values of orthogonal partial least squares discriminant analysis (OPLS-DA) were selected as the important metabolites of coix seed samples. Coix seed was fermented by M. purpureus for 9 d. The color value units (CVU) of pigment in fermented coix seed reached 157.47 CVU/g, and the contents of total phenols and total flavonoids were 0.32 mg/g and 1.2 mg/g, respectively. A total of 270 differential metabolites were detected, including amino acids, peptides, fatty acids, phenols, steroids, and their derivatives, of which the relative contents of 187 metabolites showed a significant upward trend (p < 0.05). Amino acids, peptides and analogues accounted for the largest proportion at 26%, among which most metabolites were enriched. For example, N-alpha-acetyllysine, l -tryptophan and l -arginine exhibited a fold change (FC) of 6200.87, 330.29, and 35.59, respectively. In particular, the detected steroid metabolites accounted for 3% of the total metabolites, and they all participated in the same pathway, in which androsterone, 2-methoxyestrone and etiocholanolone were upregulated. The synthesis of these steroids was related to the precursors and enzymes in the pathway, such as dehydroepiandrosterone, androstenedione, and 3beta-hydroxy-delta5-steroid dehydrogenase (HSD3B). The results of this study reveal M. purpureus fermentation can successfully transform coix seed, improving the functional activities of metabolites. Thus, this process has high development value with important applications in the food industry.
研究领域:
食品科学
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代谢组学
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微生物学
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药理学
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产品关联
DOI
高影响因子
Food Science & Nutrition
·
2020
·Vol. 8
·期 6
·2882-2894
·
IF 1.797
Changyuan Wang,Yuchao Feng,Shu Zhang,Tianxin Fu,Yanan Sheng,Yiwei Zhang,Yingjun Jiang,Miao Yu,Liyuan Zhang,Dongjie Zhang
Metabolomic studies were carried out using gas chromatography and mass spectrometry (GC-MS) on Daohuaxiang variety rice ( Oryza sativa L.) from the Wuchang Geographical Indication Rice Protection Area in Heilongjiang Province, to investigate the effects of storage on brown rice metabolism. The data were subjected to principal component analysis (PCA), orthogonal partial least squares-discriminant analysis (OPLS-DA), and cluster analysis using software such as SIMCA. Analysis of the samples led to the identification of a total of 160 metabolites. No significant differences were found in the amount of metabolites before and after storage. A total of 31 differential metabolites were screened, and the changes in metabolite content showed a “reverse change” overall. Storage significantly changed the content of various metabolites in rice, with fatty acids impacted most significantly. Metabolic pathway analysis revealed that fatty acid biosynthesis is a key metabolic pathway in rice storage. The degradation of brown rice quality caused by storage is closely related to the composition and content of its metabolites, and that change in lipid content significantly affects brown rice quality during storage.
研究领域:
农业科学
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食品科学
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分析化学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Yuan Pan,Hui-Wen Gu,Yi Lv,Xiao-Li Yin,Ying Chen,Wanjun Long,Haiyan Fu,Yuanbin She
Identifying geographical origins of red wines made in specific regions is of significance since the false claim of geographical origins has been frequently exposed in China's wine industry. In this work, an untargeted metabolomic approach based on UPLC-QTOF-MS was established to discriminate geographical origins of Chinese red wines. The principal component analysis (PCA) showed significant differences between wine samples from three famous geographical origins in China. The metabolites contributing to the differentiation were screened by orthogonal partial least squares-discriminant analysis (OPLS-DA) with pairwise modeling. 40 and 46 differential metabolites in positive and negative ionization modes were putatively identified as chemical markers. Furthermore, heatmap visualization and OPLS-DA models were constructed based on these identified markers and external verification wine samples from different regions were successfully discriminated, with recognition rate up to 96.7%. This study indicated that UPLC-QTOF-MS-based untargeted metabolomics has great potential for the geographical origin traceability of Chinese red wines.
研究领域:
食品科学
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分析化学
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代谢组学
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葡萄酒科学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2023
·Vol. 12
·期 14
·2656
·
IF 5.2
Yanbin Wang,Dan Wu,Yingqi Wu,Xiaoqing Tong,Yuchuan Qin,Liling Wang
In order to study the effect of both greenhouse and forest cultivating environments onStropharia rugosoannulata, its volatile aroma compounds were measured by a headspace solid phase micro extractions—gas chromatograph—mass spectrometer (SPME–GC–MS). The optimal adsorption temperature was 75 °C and the optimal adsorption time was 40 min. A total of 36 volatile aroma compounds were identified by GC–MS, including 8 aldehydes, 2 ketones, 4 alcohols, 15 alkenes, and 4 alkanes. Hexanal, 3-Octanone, 2-Undecanone, (E)-Nerolidol, and (Z)-β-Farnesene made great aromatic contributions. Among them, Hexanal, 3-Octanone, 2-Undecanone were the key aroma compounds for which odor activity values (OAVs) were more than 1. (E)-Nerolidol showed odor modification in the forest samples and showed a key aroma effect in greenhouse samples. (Z)-β-Farnesene showed odor modification in greenhouse samples. 3-Octanone was the largest contributing compound for which the OAV was more than 60. The total content of volatile aroma compounds first increased and then decreased with growth time; it reached the highest level at 48 h: 2203.7 ± 115.2 μg/kg for the forest environment and 4516.6 ± 228.5 μg/kg for the greenhouse environment. The aroma was the most abundant at this time. All samples opened their umbrella at 84 h and become inedible. Principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal partial least squares discriminant analysis (OPLS–DA) were combined to analyze the aroma difference ofS. rugosoannulataunder two cultivation modes. PCA and HCA could effectively distinguish the aroma difference in different growth stages. Under different culturing methods, the aroma substances and their changes were different. The samples were divided into two groups for forest cultivation, while the samples were divided into three groups for greenhouse cultivation. At the end of growth, the aroma ofS. rugosoannulatawith the two cultivation modes was very similar. OPLS–DA clearly distinguished the differences between the two cultivation methods; 17 key aroma difference factors with variable importance projection (VIP) > 1 were obtained from SPLS–DA analysis.Keywords:Stropharia rugosoannulata;cultivation mode;volatile aroma compounds;mushroom;gas chromatography—mass spectrometry
研究领域:
食品科学
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分析化学
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真菌学
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DOI
PubMed
高影响因子
Analytical Methods
·
2025
·
IF 2.6
Suxuan Li,Ningyang Mao,Cong Chen,Hui Zhao,Xiaoyu Chen,Liusheng Wang,Fuyun Cui,Wenning Feng,Zhiyong Wu
This study employed headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) technology combined with multivariate statistical analysis methods to analyze the flavor compounds in flue-cured tobacco from five different regions in China: Henan, Hunan, Yunnan, Chongqing, and Fujian. A total of 98 volatile aroma compounds were identified through HS-GC-IMS analysis, including esters, ketones, aldehydes, acids, alcohols, heterocyclic compounds, sulfur-containing compounds, other types of compounds, and 8 uncharacterized compounds. Principal Component Analysis (PCA) and Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) were utilized to conduct dimensionality reduction and distinguish the samples, effectively recognizing differences in volatile compounds among tobacco leaves from various origins. A Random Forest (RF) classification model was constructed, and its reliability was validated through ROC (Receiver Operating Characteristic) analysis, achieving an AUC (Area Under the Curve) value of 0.980, which demonstrates exceptional predictive performance. PCA revealed distinct separations of tobacco leaf samples from different regions on the PCA score plot, and OPLS-DA analysis further validated these differences and confirmed the model's validity through permutation testing. Twenty key aroma compounds with VIP > 1.0 were screened by integrating OPLS-DA with the Random Forest classification model. These compounds showed significant differences in content among different samples, suggesting their potential as chemical markers for distinguishing the origin of flue-cured tobacco. This study not only provides a new method for identifying volatile compounds in tobacco but also offers novel insights into the geographical identification of flue-cured tobacco.
研究领域:
分析化学
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食品科学
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植物学
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化学计量学
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农业科学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Sustainable Food Systems
·
2023
·
IF 4.7
Cui Hui-Na,Gu Hui-Wen,Li Zhi-Quan,Sun Weiqing,Ding Baomiao,Li Zhenshun,Chen Ying,Long Wanjun,Yin Xiao-Li,Fu Haiyan
The production season is one of the judgment standards of the green tea quality and spring tea is generally considered of higher quality. Moreover, early spring tea is usually more precious and sells for a higher price. Therefore, a multifaceted strategy that integrates lipidomics and metabolomics, based on UPLC-Triple-TOF/MS coupled with chemometrics, was developed to discriminate early spring green tea (ET) and late spring green tea (LT). Twenty-six lipids and forty-five metabolites were identified as characteristic components. As for characteristic lipids, most of glycerophospholipids and acylglycerolipids have higher contents in ET. By contrast, glycoglycerolipids, sphingolipids and hydroxypheophytin a were shown higher levels in LT samples. Most of the differential metabolites identified were more abundant in ET samples. LT samples have much higher catechin, procyanidin B2, and 3',8-dimethoxyapigenin 7-glucoside contents. Based on the integration of differential lipids and metabolites, the reconstructed orthogonal partial least squares discriminant analysis (OPLS-DA) model displayed 100% correct classification rates for harvest time discrimination of green tea samples. These results demonstrated that the integration of lipidomics and metabolomics approaches is a promising method for the discrimination of tea quality.
研究领域:
农业化学
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食品科学
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分析化学
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植物科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2022
·
IF 4.52
Shi Shen,Xi Chen,Qin Zhuo,Yan Ma,Jingbo Wang,Liyuan Wang,Zhaolong Gong,Junsheng Huo
To investigate the differences among kiwifruits from six different cultivars ( Actinidia chinensis , Actinidia delicosa and Actinidia arguta ), UPLC-QTOF-MS and UPLC-ESI-MS/MS coupled to multivariate statistical analysis were applied to untargeted metabolites and targeted analysis of kiwifruit samples for the first time. In untargeted analysis, the metabolome of kiwifruits was exhibited by principal component analysis (PCA), a total of 44 up-regulated feature compounds were screened based on the orthogonal partial least squares-discriminant analysis (OPLS-DA) and identified as glycosyl compounds , hydrocinnamic acids and various flavonoids . Furthermore, the contents of 27 targeted procyanidins , flavonoids and hydrocinnamic acids were analyzed by a UPLC-ESI-MS/MS method. It was indicated that phenol glycosides were much higher in A. arguta , responsible for the aroma of kiwifruits, various quercetin glycosides were higher in A. arguta , and much higher flavan-3-ols and hydrocinnamic acids were rich in A. Chinensis cv. Hongyang (red) kiwifruits. In addition, the results of chemometric analysis showed the untargeted metabolites and targeted compounds were responsible for the classification on the kiwifruits, which can benefit the scientific understanding of chemical diversity for kiwifruits, and improve the investigation of new wild kiwifruit cultivars, especially red kiwifruit and A. arguta .
研究领域:
植物科学
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分析化学
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食品科学
✓ 已验证
DOI
高影响因子
Horticulturae
·
2022
·Vol. 8
·期 11
·1029
·
IF 2.923
Qing-Fang Xu,Liang Fan,Kai-Xiang Lu,Dong-Mei Zhao,Ming-Xia Zhang,Jian Cai
Both free and glycosidically bound forms of volatile compounds in Vidal grapes from the Shangri-La high-altitude region during the on-vine non-destructive dehydration process were investigated by headspace solid-phase micro-extraction (HS-SPME) combined with gas chromatography–mass spectrometry (GC-MS), following which the data were processed by multivariate statistical analysis. Fatty-acid-derived volatiles (FADs), amino-acid-derived volatiles (AADs), and isoprene-derived volatiles (IPDs), which occurred mainly in bound forms, were the three major volatiles in dehydrated Vidal grapes. Water-loss concentration, biosynthesis, and biodegradation all occurred during dehydration, eventually modifying some volatiles significantly, especially some powerful odorants such as hexanal,trans-2-hexenal, 2-phenethyl acetate, β-myrcene, linalool, geraniol,cis-rose oxide, and β-damascenone. 1-Octen-3-ol was relatively stable during the non-destructive on-vine dehydration process and its content in grape juice was mainly determined by the concentration effect. 2,4-Di-tert-butylphenol, 2-phenethyl acetate, 2-methyl-1-propanol, and hexanol were screened as some of the most important metabolic markers to discriminate grapes at different dehydration degrees. Our study also highlights the fundamental importance of the expression of volatile content in the metabolomic study of grape berries.Keywords:late harvest;over-ripening;dessert wine;metabolomics;clustered heatmap;OPLS-DA
研究领域:
农学
·
食品科学
·
分析化学
·
植物生理学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）