JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Meng Wei,Xiaochang Liu,Peng Xie,Aiyun Han,Yuanhua Lei,Xiaodong Yang,Yinchu Liu,Songshan Zhang,Baozhong Sun
In this study, the interactions between myofibrillar proteins (MPs) and key heterocyclic flavor compounds, 2-ethyl-6-methylpyrazine, 2-acetylpyrrole, 2-acetyl-thiazole, and 2-acetyl-2-thiazoline, in beef, were investigated using solid phase microextraction (SPME) combined with gas chromatography-mass spectrometry (GC–MS), spectroscopic, and followed by molecular docking. The GC–MS results revealed that the molecular structures of the flavor compounds strongly influenced their binding affinity with MPs. 2-Ethyl-6-methylpyrazine and 2-acetylpyrrole exhibited salting-out effects from the MPs solution, and 2-acetyl-2-thiazoline displayed a higher binding affinity with MPs compared to 2-acetyl-thiazole, indicated by the Hill binding models. Fluorescence static quenching experiments also demonstrated that 2-acetyl-2-thiazoline had a higher Stern–Volmer constant with MPs than 2-acetyl-thiazole. Circular dichroism analysis revealed that increased concentrations of flavor compounds transformed ordered structures in MPs into random coils. This suggests that high molar concentrations of 2-acetyl-thiazole and 2-acetyl-2-thiazoline induced conformational changes in MPs. In accordance with the molecular docking model, hydrogen bonds, van der Waals forces, and hydrophobic interactions were identified as the primary noncovalent interactions between MPs and 2-acetyl-thiazole and 2-acetyl-2-thiazoline. This study provides valuable insights for controlling flavor profiles of beef products.
研究领域:
食品科学
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分析化学
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分子生物学
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蛋白质化学
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DOI
高影响因子
Food Chemistry-X
·
2024
·
IF 6.5
Qiao Huang,Ying Liu,Lei Tian,Fuqiang Xiong,Zongjun He,Yanhui Zhao,Shuangquan Xiang,Xianping Qiu,Jianshen Yu,Tongwei Guan
By examining and analyzing bran-free fermented Baijiu (BFB) with varying storage periods (0–20 years), it was observed that the overall concentration of volatile compounds initially increases and subsequently decreases over time. Furthermore, BFB exhibited more kinds of long chain esters, higher concentration of acetals, and reduced furfural content. The process of cellaring can enhance the aged, sweet, and fruity aroma of BFB. 16 flavor compounds, including 1,1-diethoxyethane, ethyl dodecanoate, and ethyl hexadecanoate, can be used as markers for vintage BFB, and electronic sensory technology was capable of discerning BFB in different years. The results of redundancy analysis (RDA) showed a positive correlation between metals and aldehydes, esters, and ketones, while indicating a negative correlation with acids and alcohols. Al, Fe, and Ca underwent the most significant changes during storage period, and they were positively correlated with differential substances, such as benzaldehyde, vanillin, ethyl isovalerate, and ethyl palmitate ( P < 0.01).
研究领域:
食品科学
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化学工程
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分析化学
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感官科学
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产品关联
DOI
PubMed
高影响因子
RSC Advances
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2023
·Vol. 13
·期 4
·2635-2648
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IF 3.9
Ying Li,Yingxin Tian,Qixue Wang,Xinyi Gu,Long Chen,Yiqun Jia,Shan Cao,Ting Zhang,Mingmei Zhou,Xiaojun Gou
Gynura segetum (Lour.) Merr. (GS), has been widely used in Chinese folk medicine and can promote circulation, relieve pain and remove stasis. In recent years, the hepatotoxicity caused by GS has been reported, however its mechanism is not fully elucidated. Metabolomic techniques are powerful means to explore the toxicological mechanism and therapeutic effects of traditional Chinese medicine. The purpose of this study was to establish a serum metabolomics method based on Gas Chromatography-Mass Spectrometry (GC-MS) to explore the hepatotoxicity mechanism of different exposure times and doses of GS in rats. Sprague Dawley (SD) rats were administered daily with distilled water, 7.5 g kg−1 GS, or 15 g kg−1 GS by intragastrical gavage for either 10 or 21 days. The methods adopted included enzyme-linked immunosorbent assay (ELISA), Hematoxylin and Eosin (H&E) staining and GC-MS-based serum metabolomics. Serum biochemistry analysis showed that the levels of alanine aminotransferase (ALT), aspartate aminotransferase (AST), triglycerides (TG), total bilirubin (TBIL) and total bile acid (TBA) significantly (P < 0.05) increased while the levels of albumin (ALB) and high-density lipoprotein (HDL) significantly (P < 0.05) decreased in GS-treated groups, compared with the control group. Interestingly, the ALT, AST, TG and ALB levels changed in a time- and dose-dependent manner. The results of H&E staining showed the degree of liver damage after administration of GS gradually deepened with the extension of administration time and the increase of the dose. According to the results of metabolomics analysis, 26 differential metabolites were identified, which were involved in 8 metabolic pathways including phenylalanine metabolism, glyoxylic acid and dicarboxylic acid metabolism and so on. Meanwhile, the number of differential metabolites in different GS-treated groups was associated with GS exposure time and dose. Therefore, we concluded that GS might induce hepatotoxicity depending on the exposure time and dose.
研究领域:
药理学
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毒理学
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代谢组学
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传统中药
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2020
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IF 4.006
Sam Al-Dalali,Fuping Zheng,Baoguo Sun,Chenxi Zhou,Ming Li,Feng Chen
Effects of different brewing processes, such as the solarization process (i.e. with or without), selection of different types of rice as a raw material (i.e. normal or sticky rice), and addition of flavoring materials (i.e. presence or absence of spices or sugar), on the aroma profiles of three types of Chinese vinegars were investigated. These three vinegars were the Longmen aromatic sweet rice vinegar (LASRV), Longmen aromatic rice vinegar (LARV), and Longmen rice vinegar (LRV). Headspace solid-phase microextraction combined with gas chromatography-mass spectrometry (HS-SPME-GC-MS) and HS-SPME-aroma extract dilution analysis combined with gas chromatography-olfactometry (HS-SPME-AEDA-GC-O) were used to identify and quantify the volatile compounds, as well as the aroma-active compounds in the Longmen vinegars. Among the total of 68 volatile compounds that were identified, 49 were confirmed by their corresponding chemical standards. The results showed that the LASRV sample contained higher concentrations of acids, alcohols, esters, sulfides, acetal, and aromatic hydrocarbons because of effects of the solarization process and the presence of added sugar. The LARV sample was found to contain more aldehydes, pyrazines, ketones, phenols, lactone, and oxazoles, which might be contributed by the solarization process, as well as the addition of spices.
研究领域:
食品科学
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分析化学
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风味化学
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DOI
高影响因子
Foods
·
2023
·Vol. 12
·期 19
·3702
·
IF 5.2
Qincao Chen,Penghui Yu,Ziyi Li,Yuhang Wang,Yafang Liu,Yin Zhu,Haihui Fu
Aroma is a vital factor influencing tea quality and value. It is a challenge to produce a kind of black tea with a floral/fruity aroma, good taste, and without a green/grassy odor simultaneously using small- and medium-leaf tea species. In this study, the effect of re-rolling treatment on the aroma quality of small-leaf Congou black tea was investigated using the methods of the equivalent quantification of aroma and gas chromatography–mass spectrometry (GC-MS). Sensory evaluation showed that re-rolling treatment improved the aroma quality of Congou black tea by conferring upon it floral and fruity scents. In total, 179 volatile compounds were identified using GC-MS, of which 97 volatiles showed statistical differences (Tukey s-b(K),p< 0.05). Re-rolling treatment significantly reduced the levels of alcoholic fatty acid-derived volatiles (FADVs) and volatile terpenoid (VTs), but increased the levels of aldehydic and ester FADVs, most amino acid-derived volatiles (AADVs), carotenoid-derived volatiles (CDVs), alkene VTs, and some other important volatile compounds. Based on the odor characteristics and fold changes of differential volatile compounds, hexanoic acid, hexyl formate, cis-3-hexenyl hexanoate, (Z)-3-hexenyl benzoate, hexyl hexanoate, phenylacetaldehyde, benzyl alcohol, β-ionone, α-ionone, dihydroactinidiolide, ipsenone, β-farnesene, β-octalactone, melonal, etc., were considered as the potential key odorants responsible for the floral and fruity scents of re-rolled black tea. In summary, this study provides a novel and simple processing technology to improve the aroma quality of small-leaf Congou black tea, and the results are beneficial to enriching tea aroma chemistry.Keywords:black tea;aroma;re-rolling;GC-MS;fermentation
研究领域:
食品科学
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植物学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2024
·Vol. 13
·期 17
·2653
·
IF 4.7
Zhiwei Hou,Ziyue Chen,Le Li,Hongping Chen,Huiyuan Zhang,Sitong Liu,Ran Zhang,Qiyue Song,Yuxuan Chen,Zhucheng Su,Liying Xu
Scented green tea (Camellia sinensis) is a type of reprocessed green tea produced by scenting with flowers. To investigate the differences in the volatiles of scented green tea processed with four different flowers (Jasminum sambac,Osmanthus fragrans,Michelia alba, andRosa rugosa), gas chromatography–ion mobility spectrometry (GC–IMS) and gas chromatography–mass spectrometry (GC–MS) were employed to detect and identify the volatile compounds in the four types of scented teas. GC–IMS and GC–MS identified 108 and 101 volatile compounds, respectively. The key characteristic volatile compounds, namely indole, linalool,β-myrcene, benzyl acetate, and ethyl benzoate (jasmine tea); cedrol, (E)-β-ionone,γ-decalactone, and dihydro-β-ionol (osmanthus tea); geraniol, phenylethyl alcohol, jasmone, methyl jasmonate, hexadecanoic acid, 4-ethyl-benzaldehyde, 2-methylbutyl hexanoate, and indole (michelia tea); and 3,5-dimethoxytoluene, (E)-β-ionone, and 2-methylbutyl hexanoate (rose tea), were identified through chemometric analysis combined with relative odor activity values (ROAVs) and sensory evaluation. This study provides new insights into the formation of aroma molecular fingerprints during green tea scenting with flowers, providing theoretical guidance for infusing distinct aroma characteristics into green tea during scented tea processing.
研究领域:
食品科学
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分析化学
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农学
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植物科学
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DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xuyang Liu,Feng Zhou,Mingchun Wen,Shan Jiang,Piaopiao Long,Jia-Ping Ke,Zisheng Han,Mengting Zhu,Yu Zhou,Liang Zhang
To explore the influence of tea trichomes on the quality of white tea, liquid chromatography quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS), and headspace solid phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC–MS) were used to identify non-volatile and volatile compounds white tea without trichomes (WTwt) and pure trichomes (PT). It was found that the bitter and astringent compounds, caffeine (CAF), epigallocatechin gallate (EGCG), epicatechin gallate (ECG) and flavonol glycosides, were mainly enriched in the WTwt, with 16.3-fold, 47.1-fold and 28.7-fold decrease in CAF and EGCG and ECG, respectively, and the content of these compounds in PT were lower than the taste thresholds. In PT, kaempferol-3- O -( p -coumaroyl)-glucoside and kaempferol-3- O -(di- p -coumaroyl)-glucoside were non-volatile marker compounds, and decanal was significant aroma contributor with rOAV = 250.86. Moreover, the compounds in trichomes mainly contributed to the fruity and floral aroma of white tea, among which benzyl alcohol, (E) -geranylacetone, decanal, dodecanal and 6-methyl-5-hepten-2-one were the crucial aroma components, which were 2.1, 1.7, 1.8, 1.4 and 2.2 times as much as the WTwt in the PT, respectively. In conclusion, trichomes can improve the quality of white tea by reducing the bitterness and astringency, increasing the umami, as well as enhancing the fruity and floral aromas.
研究领域:
植物学
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化学
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食品科学
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代谢组学
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DOI
PubMed
高影响因子
TALANTA
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2021
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IF 6.057
Xiaogang Lu,Zixuan Zhang,Haibo Liu,Hui Tang,Runli Gao,Chengxin Pei,Hongmei Wang,Junhua Xiao
Chemical forensics has been widely recognized as an important tool to investigate alleged use of chemical weapons and/or to identify the illicit production of chemical warfare agents. This paper describes the use of gas chromatography and mass spectrometry (GC-MS) to determine chemical attribution signatures (CAS) N,N -dimethylphosphoramidic dichloride (DMPADC), a key precursor of tabun, for tracking the production of tabun. Synthetic samples were identified and classified by using GC-MS and chemometrics . Analysis samples (n = 27) were collected from three synthetic DMPADC routes; 20 potential CAS were identified, and the structures of five CAS were assigned. Principal component analysis (PCA) was performed to summarize the distribution trend of the samples and to check for the presence of outliers. A Partial least squares discriminant analysis (PLSDA) model was established to discriminate and classify the synthetic samples. The proposed model in this paper has high predictive ability, and the test set samples can be correctly categorized.
研究领域:
化学
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法医学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2018
·Vol. 23
·期 12
·3268
·
IF 3.098
Gaoming Lei,Jie Li,Tao Zheng,Junqiao Yao,Jingjing Chen,Lengxin Duan
Paeonia suffruticosaAndr. is a famous ornamental and aromatic plant with hundreds of cultivars in China. The objective of this work was to investigate comparative chemical profiles of essential oils and hydrolate extracts from eightP. suffruticosaAndr. cultivars from Central China. The percentages of hydrocarbons in hydrolate extracts (≤1.1%) were significantly lower than those in the essential oils (29.8–63.7%). The percentages of oxygenated compounds in hydrolate extracts (98.3–99.8%) were significantly higher than those in the essential oils (34.8–69.6%). Multivariate analyses with hierarchical clusters and principal components further indicated the chemical differences between essential oils and hydrolate extracts. Due to predominance of oxygenated compounds and almost trace level of hydrocarbons,P. suffruticosaAndr. hydrolate extracts could be good alternatives to the essential oils. Moreover, distribution of major oxygenated compounds in hydrolate extracts varied with cultivars. Hydrolate extracts from ’SHT’, ’WLPS’ and ’BXT’ presented chemotypes of methylated phenols (65.0%), 2-phenylethanol (64.4%) and geraniol + citronellol + nerol (59.9%), respectively. Those from five other cultivars presented somewhat mixed chemotypes. These results were further confirmed by quantitative evaluation relative to the major oxygenated compounds. The outcome of this work will promote applications ofP. suffruticosaAndr. hydrolate extracts in fragrances and cosmetics.Keywords:Paeonia suffruticosaAndr.;essential oil;hydrolate extract;chemical profile;GC-MS;GC-FID
研究领域:
植物学
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化学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2018
·Vol. 23
·期 9
·2163
·
IF 3.098
Xiaoqian Yin,Anmin Huang,Shifeng Zhang,Ru Liu,Fang Ma
Dalbergia cultrate,Dalbergia latifolia, andDalbergia melanoxylonare precious and valuable traded timber species of the genusDalbergia. For chemotaxonomical discrimination between these easily confused species, the total extractive content of the three wood species was determined using four different organic solvents. Fourier transform infrared (FTIR) spectroscopy was used to analyze functional group differences in the extractive components, inferring the types of principal chemical components according to characteristic peak positions, intensities, and shapes. Gas chromatography-mass spectrometry (GC-MS) was carried out a detailed characterization of the extractive components. The relative content of individual chemical components was determined by area normalization. Results revealed differences in the chemical components and total and individual extract contents of the threeDalbergiaspecies, indicating that FTIR and GC-MS spectroscopy can be applied to identify and discriminate betweenDalbergia cultrate,Dalbergia latifolia, andDalbergiamelanoxylon.Keywords:Dalbergiaspp.;distinction;extractives;FTIR;GC-MS
研究领域:
植物学
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林学
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分析化学
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产品关联
DOI
PubMed
高影响因子
CARBOHYDRATE POLYMERS
·
2016
·
IF 4.219
Lishan Xu,Yaojie Zhang,Lizhi Wang
Dragon fruit is a tropical fruit with good taste. It can bring health benefits to human body. As one of the major bioactive components in this fruit, the polysaccharides might contribute to the health benefits. However, the precise structure information remains unknown. A leading polysaccharide of dragon fruit pulp, DFPP, was purified and identified by NMR and GC–MS. →4-β- d -Glc p A-1→, →6-β- d -Gal p -1→ and →4-α- l -Rha p -1→ constituted the backbone and α- l -Ara f -1 → 5-α- l -Ara f -1→ formed the branch chain. The precise structure was putatively identified as below. The molecular weight was 2.2 × 10 3 kDa. The structure information of polysaccharides will be helpful to understand this fruit. Download : Download high-res image (88KB) Download : Download full-size image
研究领域:
食品科学
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植物化学
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产品关联
DOI
PubMed
高影响因子
Food Quality and Safety
·
2023
·
IF 5.6
Li Yang,Wu Minyu,Zhai Liang,Zhang Hui,Shen Lirong
Camellia oil and olive oil with superior economic value are easily adulterated with other, cheaper oils. It is difficult to identify both oils by traditional methods because of their similar fatty acid profiles. In the present study, a novel method for qualitative and quantitative analysis of β-sitosterol using GC/MS and GC/FID was developed to identify camellia oil and olive oil. The method validation of β-sitosterol analysis showed good linearity and satisfactory values for recovery, accuracy, precision, and repeatability. The linear regression coefficient (R2) of the calibration curve was 0.9985. An acceptable limit of detection (0.36 mg/100 g) and limit of quantification (1.20 mg/100 g) were achieved. The spiked recoveries were 95.0% to 100.3%. The relative standard deviation (RSD) of within-day precision was less than 3.26%, and the RSD of retention times and peak areas for repeatability were within 0.03% and 1.08%, respectively. The contents of β-sitosterol in virgin camellia oil and virgin olive oil were in the range of 14.1–30.2 mg/100 g and 94.3–173.2 mg/100 g, respectively, indicating that the β-sitosterol content in the former is seven times that in the latter, and β-sitosterol could be a potential marker for the authentication and adulteration detection of both oils.
研究领域:
食品科学
·
分析化学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）