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BIOPROCESS AND BIOSYSTEMS ENGINEERING · 2020 ·Vol. 43 ·期 5 ·831-838 · IF 2.419

Effects of salinity on the synthesis of 3-methylthiopropanol, 2-phenylethanol, and isoamyl acetate in Zygosaccharomyces rouxii and Z. rouxii 3-2

Liu Bin,Wang Xufeng,Zhao Jiahao,Qin Liehao,Shi Lei,Zhou Tao,Liu Shuang,Wang Chunling

Zygosaccharomyces rouxii referred as Yeast S is an important microorganism widely applied in traditional fermented food to accelerate flavor formation. Z. rouxii 3-2 referred as Yeast S 3-2 constructed previously is a new strain having higher salt tolerance than wild type. In this study, salt stress response of synthesis key flavor metabolites 3-methylthiopropanol, 2-phenylethyl alcohol, and isoamyl acetate in Yeast S and S 3-2 were investigated based on SPME–GC–MS and RT-qPCR. Analysis of GC–MS data showed that high salinity led to increase the contents of 3-methylthiopropanol and 2-phenylethyl alcohol both in Yeast S and Yeast S 3-2, while inhibited the synthesis of isoamyl acetate, and the induced effect on Yeast S 3-2 was more pronounced than Yeast S. Furthermore, the RT-qPCR results revealed that the salinity could enhance the genes expression of ARO10 and PDC1 , and stronger effect on Yeast S 3-2 than S. However, the gene expression of AFT1 was reduced in high-salt culture conditions, which was consistent with the results of GC–MS data. The results presented in this study can provide theoretical support of Z. rouxii 3-2 application during food fermentation.

研究领域: 微生物学 · 食品科学 · 分子生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2021 · IF 7.514

An efficient approach for simultaneously obtaining oil and epigoitrin from Orychophragmus violaceus seeds by microwave-mediated immiscible binary solvent extraction

Ru Zhao,Xinyu Yang,Aoqi Zhang,Tieyang Zhou,Yunwei Zhou,Lei Yang

Microwave-mediated immiscible binary solvent extraction (MIBSE) was applied to simultaneously extract oil and epigoitrin from Orychophragmus violaceus seeds . The upper phase of n -hexane was used to obtain oil, and the lower phase of ethanol solution was used to obtain epigoitrin. Factors potentially affecting the yields of oil and epigoitrin were systematically investigated. The optimum conditions were an ethanol volume fraction of 65%, liquid–solid ratio of lower-phase of 20 mL/g, liquid–solid ratio of upper-phase of 12 mL/g, microwave irradiation power of 393 W, and microwave irradiation time of 29 min. The actual yields of oil and epigoitrin were 34.08% ± 1.38% and 11.86 ± 0.47 mg/g, respectively. GC–MS analysis illustrated that the seed oils obtained by MIBSE and Soxhlet extraction exhibited similar fatty acid compositions. The separated epigoitrin was determined by HPLC analyses, which obtained a purity of 91.25% ± 3.83%, follwed by NMR determinations.

CAS / MDL: 67-56-1 7664-38-2
研究领域: 化学工程 · 分析化学 · 植物科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2019 ·Vol. 8 ·期 6 ·205 · IF 3.011

Headspace Gas Chromatography-Mass Spectrometry for Volatile Components Analysis in Ipomoea Cairica (L.) Sweet Leaves: Natural Deep Eutectic Solvents as Green Extraction and Dilution Matrix

Wei Zhang,Xianrui Liang

In this study, natural deep eutectic solvents (NADESs) were used as both the extraction and dilution matrix in static headspace gas chromatography-mass spectrometry (SHS-GC-MS) for the analysis of volatile components inIpomoea cairica(L).Sweet(ICS) leaves. Six NADESs were prepared and the NADESs composed of choline chloride and glucose with a 1:1 molar ratio containing 15% water were preferred due to the better peak responses. A total of 77 volatiles inICSleaves were detected and tentatively identified by mass spectral matching with the US National Institute of Standards and Technology (NIST, 2014) Mass Spectral Library and the retention index-assisted qualitative method. These 77 volatile components were mainly terpenoids, aromatics, and aliphatics. Among them, β-elemene, β-caryophyllene, α-humulene, and 2, 4-di-tert-butylphenol were found to be the main components. This investigation verified that the use of NADESs is an efficient green extraction and dilution matrix of the SHS-GC-MS method for direct volatile component analysis of plant materials without extra extraction work.Keywords:Ipomoea cairica(L.)Sweetleaves;natural deep eutectic solvents;static headspace gas chromatography-mass spectrometry;volatile components

CAS / MDL: 123-76-2
研究领域: 分析化学 · 植物科学 · 植物化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2019 · IF 5.399

Interactions of selected ketone flavours with porcine myofibrillar proteins: The role of molecular structure of flavour compounds

Hui Shen,Mingquan Huang,Mouming Zhao,Weizheng Sun

Typical ketone flavours (with variations in chain length, position and number of keto group, branched chain) were selected to investigate the effect of molecule structure of ketones on their interactions with myofibrillar proteins (MPs). Results showed that 2,3-pentanedione quenched the fluorescence of MPs more effectively than 2-pentanone and 3-pentanone due to the number of keto group. There was no significant difference between 5-methyl-2-hexanone and 2-heptanone, which was attributed to their similar molecular size and polarity. The quenching effect of homologous ketone flavours increased with carbon chain growth due to the higher hydrophobic interaction. Dynamic quenching played a major role in the fluorescence quenching process of MPs by 2-pentanone, 3-pentanone, 5-methyl-2-hexanone, 2-heptanone and 2-octanone. The α-helix content decreased gradually with the increase of ketones concentration. Results of GC/MS were in accordance with the fluorescence quenching analysis generally, whereas 2,3-pentanedione and 2-nonanone exhibited some differences due to their higher steric hindrance effects.

研究领域: 食品科学 · 蛋白质化学 · 香料化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ANALYTICAL BIOCHEMISTRY · 2021 · IF 3.365

Systematic evaluation of sample preparation strategy for GC-MS-based plasma metabolomics and its application in osteoarthritis

Zhuoru He,Zhongqiu Liu,Lingzhi Gong

Sample preparation plays a crucial part in plasma metabolomics . In order to obtain an optimal sample extraction method for gas chromatography mass spectrometry (GC-MS)-based plasma metabolomics, five different extraction strategies including protein precipitation , liquid-liquid extraction and solid-phase extraction were evaluated systematically for both plasma untargeted- and targeted-metabolomics. The comprehensive evaluation revealed that the all-in-one sample preparation method , MeOH-MTBE-H 2 O (1:5:1.5, v/v/v), was the optimal extraction method for both untargeted- and targeted-metabolomics. Next, the optimal sample preparation protocol was applied in plasma metabolomics of osteoarthritis (OA). A panel containing cholesterol, lactic acid, stearic acid , alpha-tocopherol and oxalic acid was selected as candidate biomarker to distinguish OA patients from healthy controls (HC) based on the support vector machine (SVM) classification model. The discriminating capability of the candidate biomarker panel was further validated successfully with logistic regression and principal components analysis (PCA) analysis. Therefore, the panel could potentially act as diagnostic biomarker for osteoarthritis.

研究领域: 医学 · 代谢组学
✓ 已验证 DOI 高影响因子
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Journal of Oceanology and Limnology · 2024 · IF 1.3

Non-targeted metabolomic analysis of Pyropia yezoensis metabolites using GC-MS and its regulation under high temperature

Zeb Aurang,Yang Xiuwen,Khan Yasmin,He Hongyan,Fu Caiwei,Zhang Dongren,Qu Jing,Shen Songdong

Pyropia yezoensis (red algae) or commonly known as nori, is highly regarded for its nutritional benefits and distinct taste, leading to its widespread consumption. The bio-activity and sensory characteristics of P. yezoensis are attributed to the metabolites it contains. In this study, identification and quantification of the diverse range of metabolites of P. yezoensis and metabolomic analysis were conducted using gas chromatography-mass spectrometry (GC-MS). Furthermore, the impact of high temperature on its metabolites regulation was also investigated. Due to metabolomic analysis, a diverse range of metabolites were identified in P. yezoensis , including lipids, amino acids, carbohydrates, and secondary metabolites. Several known bioactive compounds, including alcohol and polyols, amines, amino acids-peptides-analogues, beta hydroxy acids and derivatives, carbohydrates and carbohydrate conjugates, cholestane steroids, dicarboxylic acid and derivatives, and fatty acids and conjugates were detected in abundance, highlighting the nutritional and functional properties of P. yezoensis . Additionally, the metabolites composition of P. yezoensis was significantly affected in high temperatures, which led to up-regulation of considerable primary metabolites and few were down-regulated, and suggested a potential response and adaptation mechanism of P. yezoensis to elevated temperature conditions. This research highlighted the metabolomics of P. yezoensis , provided insights into its metabolite composition and regulatory responses to high temperature conditions, enhanced our knowledge of the biochemical pathways and adaptive mechanisms of P. yezoensis , which can assist the improvement strategies of utilization and cultivation to promote this valuable alga in response to fluctuating environmental conditions.

研究领域: 海洋生物学 · 代谢组学 · 环境科学 · 生物化学
✓ 已验证 DOI 高影响因子
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Journal of Food Measurement and Characterization · 2026 · IF 3.6

HPLC and GC–MS characterization of bioactive lipophilic fractions from dragon fruit peels with anti-inflammatory activity

Puah Boon-Peng,Jalil Juriyati,Attiq Ali,Kamisah Yusof,Jamal Jamia Azdina

Dragon fruit ( Hylocereus spp.) is widely cultivated in Southeast Asia and is known for its nutritional and medicinal properties. Despite this potential, dragon fruit peel remains an underutilized by-product, while previous studies have largely focused on antioxidant activity, membrane-stabilizing effects, or enzyme-based anti-inflammatory assays, with limited evidence on cytokine modulation in human macrophages. Therefore, this study aimed to evaluate the anti-inflammatory activity of crude extracts and solvent-partitioned fractions from Hylocereus costaricensis (red flesh) and H. undatus (white flesh), and to characterize the phytochemical profiles of the most active fractions. Crude extracts were prepared using 80% ethanol and subsequently fractionated with hexane, ethyl acetate, and butanol. Cytotoxicity was assessed in phorbol 12-myristate 13-acetate (PMA)-differentiated THP-1 human macrophages using the methyl thiazolyl tetrazolium (MTT) assay, while anti-inflammatory activity was evaluated in lipopolysaccharide (LPS)-stimulated THP-1 macrophages by quantifying interleukin-1 beta (IL-1β), interleukin-6 (IL-6), and tumor necrosis factor alpha (TNF-α). All samples demonstrated low cytotoxicity up to 500 µg/mL. The peel hexane fractions showed the most pronounced cytokine suppression, particularly against IL-1β (81–84%) and IL-6 (74–75%), whereas TNF-α inhibition was moderate. Concentration–response studies revealed that the H. undatus peel hexane fraction was the most potent with IC 50 of 5.73 µg/mL and 76.64 µg/mL for IL-1β and IL-6, respectively. High-performance liquid chromatography (HPLC) identified β-amyrin and campesterol in both active fractions, while gas chromatography–mass spectrometry (GC-MS) detected fatty acids, tocopherols, and triterpenoids. Although H. costaricensis peel contained higher levels of β-amyrin (0.59%) and campesterol (2.83%), H. undatus peel (0.15% β-amyrin; 1.86% campesterol) showed stronger cytokine inhibition, suggesting that multiple lipophilic constituents may contribute to the observed activity. These findings indicate that dragon fruit peel lipophilic fractions are promising sources of cytokine-suppressive constituents and provide analytical support for the valorization of this underutilized by-product as functional food or nutraceutical ingredients.

✓ 已验证 DOI 高影响因子
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TALANTA · 2025 · IF 6.1

Systematic investigation into matrix effect compensation in the GC-MS analysis of flavor components using analyte protectants

Ruihong Liu,Lining Pan,Yaqiong Qin,Fuwei Xie,Cong Nie,Xiaoyu Wang,Xiaobing Zhang,Mantang Chen,Bing Wang,Peijian Sun,Jizhao Guo,Huapeng Cui

Accurate quantitative analysis of flavor components is critical to eusuring product quality and safety. Matrix effects (MEs) in gas chromatography (GC) analysis frequently leads to a low sensitivity and inaccurate quantitation. This study first analyzed the MEs of 32 representative flavor components that cover the volatility range of GC-amenable analytes. The results revealed that flavor components with high boiling points, polar groups, or at low concentrations were particularly susceptible to MEs. The compensatory effects of 23 potential APs on MEs were evaluated, and the impacts of retention time ( t R ), hydrogen bonding capability, and concentration of APs on their compensatory effects were explored. The results indicated that a broader t R coverage rate and stronger hydrogen bonding capability led to better enhancement, while increasing AP concentration improved analyte peak intensity. However, similar t R , strong hydrogen bond capability or high AP concentration could also introduce negative effects, such as interference, insolubility, t R shift or peak distortion. Based on a comprehensive assessment of both positive and negative effects, a suitable AP combination of malic acid +1,2-tetradecanediol (both at 1 mg/mL) was developed to compensate the MEs across more analytes. After adding the combination, significant improvements were observed in the linearity, limit of quantitation (5.0–96.0 ng/mL), and recovery rate (89.3–120.5 %) of the method. This study comprehensively considered factors including the solubility, interference, protective effect of the agents, providing an efficient strategy for developing potential APs. This strategy holds broad application prospects in various fields, such as foods, beverages, cosmetics and more.

研究领域: 食品科学 · 分析化学 · 香料研究
✓ 已验证 DOI PubMed 高影响因子
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Foods · 2024 ·Vol. 13 ·期 20 ·3243 · IF 4.7

Dynamic Changes in Aroma Compounds during Processing of Flat Black Tea: Combined GC-MS with Proteomic Analysis

Cun Ao,Xiaojun Niu,Daliang Shi,Xuxia Zheng,Jizhong Yu,Yingbin Zhang

Flat black tea (FBT) has been innovatively developed to alleviate homogenisation competition, but the dynamic changes in aroma components during the process remain unclear. This study employed HS-SPME-GC-MS to analyse the aroma components of tea samples from various processing stages of FBT, and to make a comparative assessment with conventional strip-like Congou black tea (SBT). Additionally, a proteomic analysis was conducted on fresh leaves, withered leaves, and frozen–thawed leaves. Significant changes were observed in the aroma components and proteins during the processing. The results of the multivariate and odour activity value analysis demonstrated that the principal aroma components present during the processing of FBT were linalool, (E)-2-hexen-1-al, methyl salicylate, geraniol, hexanal, benzeneacetaldehyde, (Z)-3-hexenyl butyrate, dimethyl sulphide, 2-methylbutanal, 2-ethylfuran, nonanal, nonanol, 3-methylbutanal, (Z)-3-hexen-1-ol, 2-pentylfuran, linalool oxide I, and β-myrcene. Freezing–thawing and final roasting are the key processing steps for forming the aroma quality of FBT. The final roasting yielded a considerable quantity of pyrazines and pyrroles, resulting in a high-fried aroma, but caused a significant reduction in linalool, geraniol, β-myrcene, and esters, which led to a loss of floral and fruity aromas. The freezing–thawing treatment resulted in an accelerated loss of aroma substances, accompanied by a decrease in the expression level of lipoxygenase and 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. The formation of aroma substances in the linoleic acid metabolic pathway and terpenoid metabolic process was hindered, which had a negative impact on tea aroma. This study elucidates the causes of unsatisfactory aroma quality in tea products made from frozen tea leaves, providing theoretical support for the utilisation of frostbitten tea leaves, and helps us to understand the mechanism of aroma formation in black tea.

CAS / MDL: 110-38-3
研究领域: 食品科学 · 分析化学 · 茶叶加工技术 · 蛋白质组学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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POLYMER · 2024 · IF 4.1

Quantitative detection of plasticizer migration in starch/polyvinyl alcohol film with UV-Vis and GC-MS/MS

Sitong Liu,Jie Yi,Rui Dai,Meng Wai Woo,Zhulian He,Hui Chen

In this work, the migration of urea and/or formamide plasticizers in crosslinked starch/polyvinyl alcohol (PVA) films under UV irradiation has been accurately quantified by using a combination of GC-MS/MS and UV–Vis analysis. The crosslinked starch/PVA films, prepared with different amide plasticizers (urea, formamide, urea-formamide), were characterized via scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and X-ray photoelectron spectroscopy (XPS). After 7 days of UV irradiation, the starch/PVA film plasticized with urea-formamide (A 7 -SPF-UF) exhibited a flat surface morphology, high crystal stability, and highest thermal stability. The migration ratio of urea and formamide for A 7 -SPF-UF was also quantified to be 3.2 % and 4.5 %, respectively, using GC-MS/MS and UV–Vis analysis, indicating optimal migration resistance. The synergistic effect of urea and formamide as plasticizers built the dense network structure of A n -SPF-UF and improved the UV aging resistance, toughness and durability of the film. On one hand, this enhances the market competitiveness of the products; on the other hand, it promotes the development of environmentally friendly materials, aligning with sustainability requirements.

CAS / MDL: 9005-25-8
研究领域: 材料科学 · 环境科学
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SN Applied Sciences · 2019 ·Vol. 2 ·期 1 ·1-11 · IF 0

A modified QuEChERS/GC–MS for simultaneous determination of 16 pesticide adjuvant residues in fruits and vegetables

Li Genrong,Yu Wenqin,Xiao Zhaojing,Long Mei,Tong Lanyan,Qiu Yue

A rapid, sensitive, and practical QuEChERS method coupled with gas chromatography–mass spectrometry was developed for the simultaneous determination of 16 chemical adjuvant residues in samples of fruits (apple, nectarine, grape) and vegetables (tomato, cucumber, spinach). All target compounds were separated in less than 16 min. Samples were extracted with acetonitrile, and the types of extraction salt and cleanup sorbent were optimized. The optimized method was validated by evaluating the linearity, accuracy, precision, and matrix effect. The recoveries of the 16 pesticides adjuvants ranged from 61.2 to 116.3% with relative standard deviations lower than 11.6%. Limits of detection ranged from 0.21 to 3.02 μg/kg, and limits of quantification ranged from 0.71 to 10.07 μg/kg. Finally, the developed method was successfully employed to identify and quantify pesticide adjuvant residues in the analysis of 30 real fruit and vegetable samples.

研究领域: 分析化学 · 食品科学 · 环境科学
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Egyptian Journal of Forensic Sciences · 2019 ·Vol. 9 ·期 1 ·1-13 · IF 0

Forensic chemical profiling of flavouring additives in seized mu’assel (shisha) by gas chromatography-mass spectrometry (GC-MS)

Middha Deepak,Negi Archna

Water-pipe tobacco smoking obsession has again spread worldwide. Especially, the younger generation is besotted with mu’assel (shisha) and avidly use these for smoking. Numbers of additives are being added in commercial brands of mu’assel (shisha) to impart diverse taste with amusing aroma. The name of only one of the masking flavours like strawberry, chocolate, vanilla etc. and not the chemical ingredients are printed on the packets of mu’assel. The manufactures remain silent about mentioning the chemical ingredients used for flavourings as they may not have scientific data about chemical compounds attributing to multiple flavours. There is also a shortfall in quality control owing to non-availability of technical procedure(s) to identify masking multiple flavouring additives. Many of these flavoured additives are either carcinogenic or potentially hazardous for human health. Ignoring health hazards, the avaricious manufacturers are intentionally adding multiple additives to make their products more addictive in order to increase their sales. The need of the hour is to unequivocally establish a technique for chemical profiling of the flavouring additives in mu’assel. In this paper, seven popular commercial brands of mu’assel were extracted, sonicated and analysed by GC-MS technique for detection of flavouring additives.Twenty-eight flavouring additives, i.e. camphor, linalool, benzyl ethanol, β-citronellol, menthol, vanillin, ethyl vanillin, eugenol, eucalptol, patchouli alcohol, nerol, rheosmin, musk ambrette, musk ketone, phenyl ethyl methyl ether, anethole, estragole, limonene, benzaldehyde, terpineol, phenyl ethyl butyrate, phenethyl isobutyrate, piperonal, methyl isobutyrate, methyl dihydro jasmonate, anisyl alcohol, trans-geraniol and sabinene along with nicotine were detected in varied proportions by GC-MS technique in seven seized popular commercial brands of mu’assel.A study on chemical profiling of flavouring additives in commercial mu’assel has yet not been reported. Henceforth, this forensic attempt was aimed to secure public health by chemically profiling the flavouring additives of mu’assel. Many of the detected additives may cause severe health problems. Moreover, the smoker may suffer from neuroticism and psychoticism that may lead to a number of cases pertaining to physical assaults and sexual harassment.

研究领域: 毒理学 · 分析化学 · 公共卫生
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