MOLECULES
·
2026
·Vol. 31
·期 12
·2138
·
IF 5.1
Xiaoduo Ma,Lei Xing,Ranran Feng,Shumin Hu,Wei Yong,Tianyang Guo,Zhaoxia Yang,Huanlu Song
Whisky is well-known worldwide owing to its unique flavor, and its fermentation and distillation conditions have a significant effect on its aroma. In this paper, new-make spirits were prepared by four fermentation conditions (two distilling yeasts and two fermentation temperatures), and the different stages (wort, wash, low wine, and new-make spirit) of the samples were collected. The main aroma compounds and their precursors were initially determined in wort and wash samples by GC-MS, UPLC-MS and HPLC. Results showed that Strecker degradation, reduction, and esterification occurred during the fermentation process, leading to decreased contents of amino acids and increased contents of volatile esters, alcohols, and acids. Moreover, the two distilling yeasts exhibited their respective optimal fermentation temperatures. Then, the distillation process was evaluated by two-dimensional gas chromatography–olfactory–mass spectrometry (GC×GC-O-MS), and 74 aroma compounds were found in different stages of new-make whiskies fermented by the two distilling yeasts and one brewer’s yeast. The contents of most compounds were enhanced by at least ten times after two distillations, while the contents of some sulfur compounds decreased. Finally, the feature aroma-active compounds of each new-make whisky were identified according to rOAV. These results provided theoretical and methodological support for yeast selection and process control in whisky production.
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Foods
·
2025
·Vol. 14
·期 14
·2441
·
IF 5.1
Erlin Zhai,Jing Zhang,Jiancai Zhu,Rujuan Zhou,Yunwei Niu,Zuobing Xiao
Lard imparts unique organoleptic properties that underpin its essential role in Chinese gastronomy; however, the specific lipid precursors contributing to its aroma remain unclear. This study explores the flavor formation mechanism of lard by comparing its texture and aroma at two preparation temperatures, 130 °C and 100 °C. We identified a total of 256 and 253 lipids at these temperatures, respectively, with triacylglycerols (TGs) and diacylglycerols (DGs) being the predominant lipid species. An HS-GC-IMS analysis detected 67 volatile compounds, predominantly aldehydes, acids, and alcohols. A subsequent Orthogonal Partial Least Squares-Discriminant Analysis (OPLS-DA) identified 49 discriminatory lipids and 20 differential volatiles. A correlation analysis showed a positive relationship between aldehydes and unsaturated triglycerides in lard, with TG (16:1-16:1-18:0), TG (17:2-18:1-18:1), TG (16:1-17:1-18:1), and TG (18:1-18:1-20:1) identified as characteristic markers at both temperatures. Furthermore, there was a positive correlation between ketones and alcohols and phospholipids and sphingolipids containing unsaturated fatty acid chains. TGs and glycerophospholipids (GPs), rich in polyunsaturated fatty acids, are likely key precursors driving the formation of distinct flavors during lard processing. This study elucidates the mechanistic interactions between lipids and volatile organic compounds, providing a framework for optimizing lard processing protocols and flavor modulation.
研究领域:
食品化学
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脂质科学
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风味化学
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分析化学
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食品加工
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LWT-FOOD SCIENCE AND TECHNOLOGY
·
2022
·
IF 6.056
Lu Liang,Yuchen Liu,Yuxin Liu,Siyi Gan,Xuejin Mao,Yuanxing Wang
The herbal tea made from the leaves and stems of Cyclocarya paliurus is thought to be more flavorful than those made from the leaves only. However, evidence supporting this view is not available yet. 53 VOCs and 54 non-VOCs were identified via HS-SPME-GC-MS and UPLC-Q-TOF/MS, respectively, which were found to vary dramatically in three groups of samples (combination of stems and leaves, separated leaves, and separated stems). 11 VOCs and 18 non-VOCs potential markers are responsible for the change of metabolic effects through the biosynthesis of flavonoids, the synthesis of terpenoids, and the oxidation of fatty acids and carotenoids. In response, the stems were effective to enhance fatty odors, the initial astringency and bitterness and the aftertaste of sweetness of the leaves. Stems are conducive to increasing total phenolic content, total flavonoid content and antioxidant capacity of Cyclocarya paliurus herbal extract because of the increase in polyphenols. In addition, the stems have the potential to be used as raw materials for nerolidol and polyphenols extraction. This study has been the first to determine the contribution of stem to the flavor of Cyclocarya paliurus herbal tea and these results provide the theoretical basis for making Cyclocarya paliurus herbal tea with stems.
研究领域:
植物化学
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食品科学
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代谢组学
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TALANTA
·
2022
·
IF 6.556
Lin Li,Yingying Li,Sijia Zhang,Ting Wang,Xiaohong Hou
In this study, MIL-101(Cr)/cellulose aerogel/melamine sponge composite was fabricated through a simple soaking method. The composite was packed in the syringe barrel and used as the sorbent for microextraction in packed syringe. Coupled to UPLC-MS/MS, the proposed method was employed for the analysis of trace nitroimidazoles in water samples. The parameters affecting the extraction efficiency, including sorbent type, pH value of sample solution, sample solution volume and elution solvent were optimized. Under the optimal conditions, good linearity (r > 0.99 for five analytes), high sensitivity (limit of detection: 8.250–16.33 ng L −1 ), ideal precision (intra-day precision: 1.1%–5.3%, inter-day precision: 1.8%–6.7%) and satisfactory accuracy (recovery: 70.4%–96.7%) were achieved. The proposed method was proved to be efficient, easily operative and environmentally friendly.
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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.
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INDUSTRIAL CROPS AND PRODUCTS
·
2022
·
IF 6.449
Hui-Dan Hou,Cheng-Ying Wu,Jing Zhou,Fang Long,Hong Shen,Jin-Di Xu,Shan-Shan Zhou,Qian Mao,Ying-Jie Wei,Song-Lin Li
Agastache rugosa (AR) is a wildly cultivated medicinal and aromatic crop, which usually recommended to be harvested when the plant is exuberant with not flowering or in full flower stage. But there is no scientific basis for the support of the cognition. Therefore, the accumulation patterns of major active components during flower development (inflorescences with buds, full bloom and after full bloom stages) in two chemotypes (menthone type and estragole type) of AR were investigated by newly developed GC–QQQ–MS/MS and UPLC–QTOF–MS/MS methods. Five volatile (pulegone, menthone , estragole, methyleugenol and β -caryophyllene) and nine non-volatile components (rosmarinic acid, tilianin, acacetin 7- O -(6"- O -malonyl)- β - D -glucopyranoside, apigenin , agastachoside, isoagastachoside, acacetin 7- O -(2"- O -acetyl-6"- O -malonyl)- β - D -glucopyranoside, cirsimaritin and acacetin) in two chemotypes of AR samples at three stages were simultaneously quantified. It was found that the relatively higher contents of main volatile components were present in menthone type of AR collected at the full flower stage and in estragole type of AR at the after full bloom stage, whereas the relatively higher contents of main non-volatile components were present in menthone type of AR collected at the inflorescences with buds stage and in estragole type of AR at the after full bloom stage. Considering major active volatile and non-volatile components with higher levels, full bloom stage and after full bloom stage should be optimal harvesting time for menthone type and estragole type of AR, respectively.
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Food & Function
·
2021
·Vol. 12
·期 19
·8899-8906
·
IF 5.396
Qing Zheng,Yaru Hu,Ayuan Xiong,Ying Su,Zihao Wang,Kun Zhao,Yougui Yu
Elucidating the organometallic interactions in Baijiu will promote a deeper understanding of the flavour formation mechanism during Baijiu aging. However, the organometallic interactions during aging are difficult to explore because the concentration and status of metals in Baijiu samples are affected by other substances (such as organic acids), and the concentrations of these substances also change dynamically. Hence, the flavour formation mechanism of aged Baijiu was investigated based on a multi-method analysis (i.e. electrochemistry, ICP-MS/OES, and UPLC-Q-Orbitrap-MS/MS), which enabled us to solve the difficulty above. The key finding is that, in the aging period, the organic acids induce the transformation of the metal ion state from the complex state to the free state. As a result, the flavour compound (i.e. the esters) contents in aged Baijiu are regulated by the free metal ion-catalyzed reactions.
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Frontiers in Chemistry
·
2021
·
IF 5.221
Chang Xiangwei,Zhang Zhenyu,Yan Hui,Su Shulan,Wei Dandan,Guo Sheng,Shang Erxin,Sun Xiaodong,Gui Shuangying,Duan Jinao
Nucleobases, nucleosides, nucleotides and amino acids, as crucial nutrient compositions, play essential roles in determining the flavor, function and quality of Chrysanthemi Flos. The quality of Chrysanthemi Flos from different geographical origins is uneven, but there have been no reports about the screening of their quality markers based on nutritional ingredients. Here, we developed a comprehensive strategy integrating ultra performance liquid chromatography coupled with triple-quadrupole linear ion-trap tandem mass spectrometry (UPLC–MS/MS) and multivariate statistical analysis to explore quality markers of Chrysanthemi Flos from different geographical origins and conduct quality evaluation and discrimination of them. Firstly, a fast, sensitive, and reliable UPLC–MS/MS method was established for simultaneous quantification 28 nucleobases, nucleosides, nucleotides and amino acids of Chrysanthemi Flos from nine different regions in China. The results demonstrated that Chrysanthemi Flos from nine different cultivation regions were rich in the above 28 nutritional contents and their contents were obvious different; however, correlation analysis showed that altitude was not the main factor for these differences, which required further investigation. Subsequently, eight crucial quality markers for nine different geographical origins of Chrysanthemi Flos, namely, 2′-deoxyadenosine, guanosine, adenosine 3′,5′-cyclic phosphate (cAMP), guanosine 3′,5′-cyclic monophosphate (cGMP), arginine, proline, glutamate and tryptophan, were screened for the first time using partial least squares discriminant analysis (PLS-DA) and the plot of variable importance for projection (VIP). Moreover, a hierarchical clustering analysis heat map was employed to intuitively clarify the distribution of eight quality markers in the nine different regions of Chrysanthemi Flos. Finally, based on the contents of selected eight quality markers, support vector machines (SVM) model was established to predict the geographical origins of Chrysanthemi Flos, which yielded excellent prediction performance with an average prediction accuracy of 100%. Taken together, the proposed strategy was suitable to discover the quality markers of Chrysanthemi Flos and could be used to discriminate its geographical origin.
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JOURNAL OF CHROMATOGRAPHY A
·
2025
·
IF 4
Jinni Zhang,Songtao Li,Xiaojing Li,Canrong Chen,Wen Xie,Yanhui Zhong,Zian Lin,Zongwei Cai
Perfluoroalkyl carboxylic acids (PFCAs) are a class of persistent organic pollutants (POPs), which posed various hazards to organisms, including reproductive, developmental, neurological, and immunological toxicity. Consequently, developing an analytical method aimed at achieving highly sensitive detection of trace amounts of PFCAs in complex samples is clearly of great significance. Herein, the Fluorine-functionalized covalent organic framework (F-COF) was synthesized at ambient temperature, which has the advantages of high specific surface area (1297.7 m 2 g -1 ), suitable selective adsorption pore size and good stability. Based on the multiple effects of suitable pore size, fluorine-fluorine interactions and hydrophobic interactions, F-COF exhibited high adsorption performance towards PFCAs. Accordingly, the method of F-COF-based dispersive solid-phase extraction (dSPE) coupled with UPLC-MS/MS was developed for the quantitative analysis of 5 PFCAs in complex biological samples. The results showed that the good linearity for the 5 PFCAs within the concentration ranges of 0.4 to 10 4 ng L -1 , with correlation coefficients (r) all greater than 0.9993. The enrichment factors (EFs) ranged from 11.4 to 22.3 folds, and the limits of detection (LODs) were 0.11 to 0.17 ng L -1 . The established method provided a powerful tool for the enrichment and detection of PFCAs in mice serum and tissue. F-COF holds promising application prospects as a solid-phase extraction material for efficient enrichment separation and detection of PFCAs.
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MICROCHEMICAL JOURNAL
·
2024
·
IF 4.9
Yan Qiao,Menglin Wang,Erling Guo,Ke Wang,Ling Ma,Kaoqi Lian
This study aimed to design and synthesize a novel adsorbent Fe 3 O 4 @SiO 2 @MPA-TAPA-COF material for the first time and used as an adsorbent of MSPE. It had significant potential for the pretreatment of trace analytes. The MSPE was coupled with ultra performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) for the rapid extraction and detection of 12 sulfonamides (SAs) from water and milk samples for the first time. Several experimental parameters were optimized, including adsorbent dosage and the effects of pH, ionic strength, adsorption time, and desorption conditions. Under the optimized pretreatment and instrumental conditions, good linearity of 0.1–100 μg·L −1 with a correlation coefficient 0.9994–0.9999, low limits of detection (0.004–0.044 μg·L −1 ) and limits of quantitation (0.013–0.136 μg·L −1 ) were obtained. Moreover, the recoveries of sulfonamides in water and milk samples were in the range of 60.88 %-102.94 %, and the relative standard deviations not exceeding 9.62 %. Finally, the magnetic Fe 3 O 4 @SiO 2 @MPA-TAPA-COF material possessed the magnetic separation and high adsorption affinity for extracting SAs from real samples. This study holds great significance in enhancing the monitoring of SAs drug residues in water and milk.
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EUROPEAN FOOD RESEARCH AND TECHNOLOGY
·
2025
·
IF 3.2
Liu Nan-nan,Ren Qing-dan,Li Long,Wang Li-na,Shi Guang-liang,Qin Shou-tao
Apis cerana honey from Changbai Mountain (CBS honey), produced in northeastern China, is a high-quality specialty honey that has long been recognized as a natural health product with medicinal properties. In this study, UPLC-MS/MS metabolomics and ultra-fast proteomics technologies were employed to analyze the differences in metabolites and proteins among Apis cerana honey samples collected from various Chinese regions, including Jilin, Sichuan, Hainan, Hubei, and Tibet. Through an integrated multi-omics analysis, we identified candidate characteristic compounds, including 12 potential characteristic metabolites and 13 characteristic proteins, to differentiate CBS honey from Apis cerana honeys produced in other regions. These findings provide foundational reference for the authentication and geographical origin traceability of CBS honey.
研究领域:
食品科学
·
代谢组学
·
蛋白质组学
·
分析化学
·
产地溯源
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Foods
·
2026
·Vol. 15
·期 7
·1134
·
IF 6
Wei Zhao,Peng Yang,Mingyun Chen,Dongyu Gu,Dajun He
Raspberry (Rubus idaeusL.) fruits have been widely used due to their abundance of diverse polyphenolic compounds, whereas research on the chemical composition and bioactivity of their stems and leaves remains limited. In this study, the ethyl acetate extract of raspberry stems and leaves was evaluated for inhibitory activity against α-glucosidase and α-amylase. Guided by affinity ultrafiltration–mass spectrometry, 16 potential active components were further isolated and characterized. Among these, 13 compounds exhibited binding affinity for α-amylase, while 5 compounds showed binding affinity for α-glucosidase. Quercetin-3-O-β-D-glucoside-7-O-β-D-gentiobioside was isolated from raspberry stems and leaves for the first time. Procyanidin C3and quercetin exhibited significant inhibitory effects on the two enzymes. Molecular docking studies hinted at the interactions between these compounds and the key active sites of the two enzymes. These findings suggest that phenolic compounds in raspberry stems and leaves may possess potential as α-glucosidase and α-amylase inhibitors, providing a scientific basis for further research on their application as functional components for blood glucose control.
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危险品化学品经营许可证（带存储）