FOOD RESEARCH INTERNATIONAL
·
2023
·
IF 8.1
Yonghong Ye,Songyan Zheng,Yuanxing Wang
The ripe Gannan navel oranges have an appealing aroma, but few studies have reported the changes of these aromatic substances during the growth of navel oranges. In this study, changes of aroma components in Gannan navel orange from 119 to 245 days after flowering were systematically studied using headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC–MS) coupled with multivariate analysis, including principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). A total of 43 and 54 aroma components were identified in pulp and peel of navel orange, respectively. The odor active value (OAV) results indicated that 14 substances were the key aroma components during the growth of navel orange. Among them, the contribution of linalool, β-myrcene and limonene were the highest. The multivariate statistical analysis further confirmed that 14 and 18 compounds could be used as key markers to distinguish the pulp and peel at different growth stages, respectively. Results from this study contributed to a better understanding of the dynamic variation and retention of aroma compounds during navel orange growth, and have great potential for industrial application.
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高影响因子
Food Chemistry-X
·
2023
·
IF 6.1
Yuting Rong,Jialing Xie,Haibo Yuan,Lilei Wang,Fuqiao Liu,Yuliang Deng,Yongwen Jiang,Yanqin Yang
Storage time is one of the important factors affecting the aroma quality of Pu-erh tea. In this study, the dynamic changes of volatile profiles of Pu-erh teas stored for different years were investigated by combining gas chromatography electronic nose (GC-E-Nose), gas chromatography-mass spectrometry (GC–MS), and gas chromatography-ion mobility spectrometry (GC-IMS). GC-E-Nose combined with partial least squares-discriminant analysis (PLS-DA) realized the rapid discrimination of Pu-erh tea with different storage time (R 2 Y = 0.992, Q 2 = 0.968). There were 43 and 91 volatile compounds identified by GC–MS and GC-IMS, respectively. A satisfactory discrimination (R 2 Y = 0.991, and Q 2 = 0.966) was achieved by using PLS-DA based on the volatile fingerprints of GC-IMS. Moreover, according to the multivariate analysis of VIP > 1.2 and univariate analysis of p < 0.05, 9 volatile components such as linalool and (E)-2-hexenal were selected as key variables to distinguish Pu-erh teas with different storage years. The results provide theoretical support for the quality control of Pu-erh tea.
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高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Xin Fang,Yanan Liu,Jingyi Xiao,Cunqiang Ma,Youyi Huang
High-performance liquid chromatography (HPLC), headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC–MS) and ultra-high performance liquid chromatography–Q-Exactive HF-X mass spectrometer (UHPLC–Q-Exactive HF/MS) were carried out to reveal dynamic changes of volatile and non-volatile compounds during the withering process of black tea. A total of 118 volatile organic compounds (VOCs) and 648 metabolites were identified in fresh and withered tea-leaves, respectively. Among them, 47 VOCs (OAV > 1.0) for the aroma formation, and 46 characteristic metabolites (VIP > 1.50, p < 0.01) selected through orthonormal partial least squares-discriminant analysis, indicated the withering contribution during black tea processing. Overall, the withering promoted alcohols, aldehydes, phenols, heterocyclic oxygen, hydrocarbons and halogenated hydrocarbons through relevant hydrolyzation, decomposition, terpene synthesis, and O -methylation. The hydrolyzation, O -methylation, condensation and N -acylation of kaempferol glycosides, quercetin glycosides, ester catechins, and gallic acid generated the accumulation of methoxyl flavonoids and flavonoid glucosides, dihydrokaempferol, syringic acid, theaflavins, and N -acylated amino acids, respectively.
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高影响因子
Foods
·
2022
·Vol. 11
·期 17
·2662
·
IF 5.561
Xiangying Yu,Xiaochun Chen,Yuting Li,Lin Li
To reflect the volatile differences of dried citrus peel as affected by cultivars and drying methods, the volatile compounds of dried citrus peel of two cultivars (Citrus reticulata“Chachi” andCitrus reticulata“Ponkan”), prepared under three drying methods (sun-drying (SD), hot-air-drying (AD), and freeze-drying (FD)), were analyzed by GC-MS, odor activity values (OAVs), and GC-IMS. GC-MS data indicated that SD was favorable to preserve terpenic alcohols (linalool, α-terpineol and terpinene-4-ol), β-cymene, methyl methanthranilate, and monoterpenes; while AD was favorable to preserve aliphatic aldehydes and sesquiterpenes; and SD was more similar with AD in GC-MS analysis of volatile profile (of higher MW) for both cultivars from the PCA outcome. Furthermore, significant difference in volatile isomeric composition of different samples was also clearly demonstrated through extracted ion chromatogram (EIC) by GC-MS analysis. GC-IMS analysis showed the favorability of FD to preserve ketones, phenols, esters, and aromatic aldehydes; and SD was more similar with FD in GC-IMS analysis of volatile profile (of smaller MW) for both cultivars from the PCA outcome. Moreover, the OAVs indicate that 2-methoxy-4-vinylphenol contributed much to the flavor of dried Ponkan peel, while 2-methoxy-4-vinylphenol, methyl methanthranilate, and methyl anthranilate played an important role in the flavor of dried Chachi peel; and the highest OAVs for monoterpenes were observed at SD for both cultivars. Thus, the combination of GC-MS and GC-IMS analyses with PCA in this paper suggested the superiority of SD to preserve volatiles and characteristic aroma in dried citrus peel, and that SD contributed much to the quality of dried Chachi peel.Keywords:citrus peel;volatile compounds;sun-drying (SD);hot-air-drying (AD);freeze-drying (FD);GC-MS;GC-IMS
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Analytical Methods
·
2022
·Vol. 14
·期 36
·3583-3597
·
IF 3.532
Wen-Ting Gu,Lin-Yuan Li,Wen-Jing Rui,Zhong-Wen Diao,Guo-Dong Zhuang,Xiao-Mei Chen,Zheng-Ming Qian,Shu-Mei Wang,Dan Tang,Hong-Yan Ma
Cultivated ginseng (CG), transplanted ginseng (TG) and mountain cultivated ginseng (MCG) classified by the habitat type all belong to Panax ginseng and were reported to have similar types of secondary metabolites. Nonetheless, owing to the distinctly diverse habitats in which these ginseng types grow, their pharmacological effects differ. In the present study, an emerging analytical approach involving headspace solid-phase microextraction-gas chromatography–mass spectrometry (HS-SPME-GC–MS) was established to effectively distinguish among CG, TG and MCG. First, the volatile components were analysed and identified by using the NIST library combined with measured retention indices (Kovats', RI), and a total of 78 volatile components were finally characterized, which included terpenes, alcohols, esters, aldehydes and alkynols. Furthermore, multivariate statistical approaches, principal component analysis (PCA) and orthogonal partial least-squares discrimination analysis (OPLS-DA) were subsequently utilized to screen for compounds of significance. Under optimized HS-SPME-GC–MS conditions, 12, 16, and 16 differential markers were screened in the CG-TG, CG-MCG and TG-MCG groups, respectively. Our study suggested that HS-SPME-GC–MS analysis combined with metabolomic analytical methods and chemometric techniques can be applied as potent tools to identify chemical marker candidates to distinguish CG, TG and MCG.
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FOOD RESEARCH INTERNATIONAL
·
2019
·
IF 3.579
Mostafa Gouda,Meihu Ma,Long Sheng,Xiaole Xiang
This study was focused on the differences between three concentrations of four safe bio-active volatile terpenes and natural compounds (trans-cinnamaldehyde, thymol, menthol, and vanillin) on the egg yolk volatile components. In which, Headspace Solid phase Micro Extraction (HS-SPME) followed by GC/MS were used for volatiles analysis, and electronic nose (E-Nose) with 18 sensors was used for the aroma pattern. In the results, a total of 111 different volatile compounds were identified by using GC/MS. Some ketones, amines, nitro and organic acid compounds such as hexanone were significantly reduced after using these compounds. On the other hand, first principal components (PC1) of trans-cinnamaldehyde (0.1%) was decreased significantly ( p < .05) to −4.8 ± 0.8, compared to the control with 4.3 ± 2.1. And, it increased benzaldehyde and nonanal peaks area significantly to 46.56 ± 14.46 and 9.22 ± 4.81 MPA. In menthol (0.1%), the content of d-limonene was decreased to 4.65 ± 0.49 MPA, compared to the control with 14.16 ± 4.95 MPA. On the other hand, by E-Nose, vanillin (0.1%) PC1 was decreased significantly to −4.48 ± 0.43. Moreover, thymol (0.1%) decreased hydrocarbon sensation to 0.448 ± 0.005. And, vanillin (0.1%) decreased hydrogen sulfide and ketones sensation to 0.169 ± 0.01 and 0.344 ± 0.01, respectively. In conclusion, this study is providing novel information to understand the effects of bio-active molecules on the biological fatty media volatility. Also, it explains how terpenes can protect egg yolk media from the unacceptable odor formation which results from the degradation of its lipids and proteins.
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2024
·
IF 3.1
Fangqi Cao,Shuchen Yu,Xiujuan Chen,Lu Xiao,Tingting Qiu,Xiru Wang,Daiwen Zhang,Xiaoliang Yuan,Ping Shi
Synthetic cannabinoids (SCs) are an evolving class of new psychoactive substances (NPS) with structurally various compounds that are increasing over the past few years. Therefore, they are initially hard to identify because of the lack of analytical information. Moreover, there is little to no information regarding the pharmacology of these compounds despite human abuse. In the present study, gas chromatography-mass spectrometry (GC-MS), ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF MS), and nuclear magnetic resonance (NMR) spectroscopy were used to identify the structure of three compounds obtained from seized materials. The pharmacological properties of these compounds were evaluated by subsequent behavioral testing, including von Frey and cold allodynia tests. The results indicated that these compounds were determined to be 2-(1 H -indazole-3-carboxamido)-3,3-dimethylbutanoate (MDMB-INACA), N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1 H -indazole-3-carboxamide (ADB-INACA), and N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexyl-1 H -indazole-3-carboxamide (ADB-HINACA) via GC-MS, UPLC-Q-TOF MS and NMR analysis, and they can attenuate mechanical and cold allodynia induced by paclitaxel in rats with peripheral neuropathy. Compared with MDMB-INACA and ADB-HINACA, ADB-INACA showed better analgesic effects on paclitaxel-induced peripheral neuropathy (PIPN) in rats, and its effect was similar to that of the positive drug N′-(1-hexyl-2-oxoindolin-3-ylidene) benzohydrazide (MDA-19).
研究领域:
药理学
·
毒理学
·
分析化学
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高影响因子
Foods
·
2025
·Vol. 14
·期 14
·2490
·
IF 5.1
Yingqi Zhou,Yihong Wang,Jia Zheng,Siyi Pan,Xiaoyun Xu,Fang Yuan
Aroma is an important indicator for evaluating the quality of baijiu. In this study, we determined the aroma-active compounds in four representative brands of strong-aroma baijiu from Sichuan and Jianghuai regions through GC-MS/O, and GC-TOF-MS quantification. In addition, the non-volatile composition of four baijiu samples was quantified by BSTFA derivatization and GC-MS. By constructing a full recombination model containing both volatile and non-volatile components, the effect of different groups of non-volatile compounds on the aroma of strong-aroma baijiu was evaluated through recombination-omission tests. A total of 72 aroma-active compounds and 59 non-volatile compounds were identified and quantified. The results indicated that pyrazines, furfural, and furan derivatives displayed higher aroma intensities in strong-aroma baijiu produced in Sichuan compared to that produced in Jianghuai. The recombination model that included both aroma-active and non-volatile compounds showed a closer resemblance to the original baijiu samples, underscoring the critical role these compounds play in shaping the dominant aroma profile of strong-aroma baijiu. Non-volatile compounds significantly influenced six aroma attributes: fruity, sweet, sauce, pit, acidic, and alcoholic notes. Omission tests revealed that among posorly volatile organic acids, monobasic acids had distinct effects on the aroma profile, while dibasic acids did not show any noticeable influence on the sensory characteristics.
研究领域:
食品科学
·
分析化学
·
风味化学
·
感官分析
·
酿造技术
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EUROPEAN FOOD RESEARCH AND TECHNOLOGY
·
2025
·
IF 3.2
Guo Shuang,Qiao Xuan,Lv Zihan,Li Lintao,Liang Yutong,Meng Zhiyun,Gan Hui,Gu Ruolan,Wu Zhuona,Dou Guifang,Li Gaoying,Liu Shuchen
This work aims to establish a highly selective, sensitive, and accurate gas chromatography-mass spectrometry (GC-MS) method for detecting concentrations of seven representative fatty acids absorbed into the bloodstream after a single gavage of 10 mL/kg Xanthoceras sorbifolia Bunge ( X.sorbifolia ) oil in rats and conducting pharmacokinetic studies. The plasma samples were processed using two-step derivatization with NaOH and BF 3 -CH 3 OH, with an Agilent HP-88 capillary column serving as the stationary phase. Concentrations of seven fatty acids, namely hexadecanoic acid (palmitic acid, C16:0), octadecenoic acid (stearic acid, C18:0), cis -9-octadecenoic acid (oleic acid, C18:1), cis -9,12-octadecadienoic acid ( linoleic acid, C18:2), cis -11-eicosenoic acid (gondoic acid, C20:1), cis -13-docosaenoic acid (erucic acid, C22:1), and cis -15-tetracosenoic acid (nervonic acid, C24:1), were quantitatively determined under programmed temperature and ion detection mode. The results showed that the seven fatty acids were well separated and exhibited a good linear relationship between concentration and peak area ratio within the detection range (R 2 > 0.99). The precision and accuracy within and between batches were both less than 15%. After derivatization, the plasma samples remained stable at -20 °C, 4 °C, and 10 °C; The matrix effect did not affect the quantitative analysis, and the extraction recovery rate ranged from 100.3% to 107.76%. After gavage administration of X.sorbifolia oil to rats, the levels of unsaturated fatty acids in the blood were significantly increased compared to those in the blank control group. The peak concentration (T max) was 7–8 h, and the mean retention time (MRT) was 10–12 h. This experiment provides a basis for elucidating the potential material basis of the nutritional efficacy of X. sorbifolia oil after oral administration.
研究领域:
分析化学
·
药理学
·
生物化学
·
营养学
·
药物化学
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高影响因子
CHEMOSPHERE
·
2016
·
IF 3.698
Qiang Wang,Lingyan Zhu,Meng Chen,Xinxin Ma,Xiaolei Wang,Junchao Xia
Bisphenol analogues are a group of chemicals which are being widely applied in industrial and household products owing to regulations on bisphenol A (BPA) in many countries. In this study, an analytical method, including extraction from complex environmental matrices, clean-up using solid phase extraction (SPE) and following-up derivatization prior to gas chromatography coupled with mass spectrometry (GC-MS), was developed to analyze seven commonly used bisphenols in sediment. Five kinds of extraction solvents , four kinds of SPE cartridges, and four kinds of SPE eluting solvents were individually tested for their performances; and the conditions for derivatizing were also optimized. Finally, C 18 cartridge was determined as the SPE cartridge and methanol was selected as extracting and eluting solvent. Acetic anhydride (AA) was used as derivatizing agent and reaction took 20 min at room temperature. The method was used successfully to measure the seven bisphenol compounds in sediment samples from Taihu Lake, China. BPA, bisphenol F and bisphenol S were detected in all sediment samples, with concentrations in the range of 3.94–33.2; 0.503–3.28 and 0.323–27.3 ng g −1 dw. Other compounds were detected at low frequencies or not detected. We provided a convenient, reliable, and sensitive method to analyze bisphenol compounds in complex environmental samples.
研究领域:
环境科学
·
分析化学
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高影响因子
Surfaces and Interfaces
·
2024
·
IF 5.7
Hao Xu,Run-Song Wang,Yang-Yang Yan,Xing Fan,Xiang Bai,Wen-Long Mo,Xian-Yong Wei
Twelve kinds of base oils were characterized by a series of analytical methods to obtain detailed composition and structure information. Mineral oil and poly alpha olefin oil were mainly composed of long-chain alkanes, while ester oil was mainly composed of ester compounds. Ten of the 12 base oils were selected to synthesize barium lubricating greases . Both base oils and greases were evaluated by molecular simulation , and the corresponding molecular models were constructed based on the structural information of base oils. Grease models constructed by barium 12-hydroxystearate and ester oil exhibited the largest surface adsorption energy and intermolecular interaction energy, respectively, because polar groups in lubricant tend to adsorb on metal surface and form an absorbing film. Comparing physicochemical properties of the synthesized barium lubricating greases. The temperature resistance of grease presents a positive correlation with the simulated intermolecular interaction energy.
研究领域:
化学工程
·
材料科学
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高影响因子
Foods
·
2026
·Vol. 15
·期 16
·2894
·
IF 6
Chengjiang Wei,Weiwei Wu,Zhechen Han,Peng Zhang,Chenglong Li,Siqing Du,Qi Lin,Fuming Lin,Weijiang Sun
Wuyi rock tea (WRT) processed from dew-soaked leaves is often characterized by a pronounced grassy off-odor defect. However, the key odor-active compounds and their potential underlying mechanisms remain unclear. In this study, quantitative descriptive sensory analysis, GC–MS, GC–O, molecular docking, and aroma addition tests were used to systematically elucidate the chemical basis and potential perceptual mechanisms of the key grassy off-odor in WRT processed from dew-soaked leaves. The results showed that 16 volatile compounds were significantly associated with dew, among which (E,E)-2,4-heptadienal, octanal, hexanal, and heptanal were identified as the major odor-active compounds responsible for the grassy off-odor. The accumulation of these aldehydes may be associated with lipid peroxidation under the influence of dew. Aroma addition and omission tests confirmed that (E,E)-2,4-heptadienal contributed significantly to grassy off-odor formation and that additive effects existed among the four compounds. Molecular docking predicted that the four key odor-active compounds interacted with human olfactory receptors, including OR1A1 and OR10J5, through hydrogen bonds and hydrophobic interactions, thereby affecting grassy off-odor perception, with predicted binding energies below −4.7 kcal/mol. This study elucidated the effects of dew on the formation of the characteristic aroma of WRT and provides a scientific basis for tea quality regulation and processing improvement.
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高影响因子
危险品化学品经营许可证（带存储）