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Foods · 2024 ·Vol. 13 ·期 24 ·3984 · IF 4.7

Exploring the Impact of Different Saccharomyces cerevisiae Strains on the Flavor Profile of Greengage Alcoholic Beverage Using GC-E-Nose, HS-GC-IMS, and HS-SPME-GC-MS

Zhenbao Shi,Wenzhe Li,Ziqiang Chen,Zhengcong Peng,Mingtao Ma,Jinglong Zhang,Dianhui Wu,Guangfa Xie,Jian Lu

Greengage alcoholic beverage (GAB) is gaining popularity for its distinctive fruity aroma and nutritional benefits. TheSaccharomyces cerevisiaestrain applied for fermentation significantly influences the metabolic production of aroma compounds, making the selection ofS. cerevisiaestrains to be critical for enhancing the unique flavor profile of the GAB in commercial production. In this study, the effects of two common commercialS. cerevisiaestrains (SY, EC-1118) and two laboratory-derived strains (ET008-c54, NM-8) on the flavor profile of the GAB were investigated. Volatile organic compounds (VOCs) of the GAB samples were analyzed using GC-E-Nose, HS-SPME-GC-MS, and HS-GC-IMS. Results showed significant differences in the flavor compound content of the GAB fermented by different strains. Nine VOCs were identified as potential markers by partial least squares–discriminant analysis (PLS-DA) combined with variable importance in projection (VIP), with ethyl esters playing a key role in distinguishing the aroma characteristics of different groups. Consequently, 13 aromatic compounds were selected and considered to be the typical VOCs of the GAB. Notably, β-ionone and ethyl octanoate emerged as representative aroma compounds, both showing the highest concentrations in the SY sample. These findings will provide valuable insights into the aroma differences of the GAB fermented by different strains and offer theoretical guidance for selecting suitable strains in the industrial production of the GAB.

研究领域: 食品科学 · 微生物学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2024 · IF 6

Characterization of the volatile flavour compounds in Yunnan Arabica coffee prepared by different primary processing methods using HS-SPME/GC-MS and HS-GC-IMS

Huinan Zhai,Wenjiang Dong,Yumei Tang,Rongsuo Hu,Xinxin Yu,Xiaoai Chen

In this study, coffee samples from seven primary processing methods—traditional dry processing (CG), dry processing I (GA), dry processing II (GB), traditional wet processing (CS), honey processing I (MA), honey processing II (MB), and honey processing III (MC)—underwent comprehensive investigation using HS-SPME/GC-MS and HS-GC-IMS. A total of 81 and 96 VOCs were identified by GC-MS and GC-IMS, respectively. The differences in VOCs among various primary processing samples were observed. The results demonstrated increased volatilization of coffee flavor substances due to anaerobic fermentation. CG, GA, and GB samples exhibited high levels of fruity, floral, and sweet aromas. Conversely, honey processing methods (MA, MB, and MC) enhanced the caramel, roasted aroma, and buttery flavor of coffee samples. PCA and PLS-DA successfully categorized coffee beans based on their aroma properties. These findings indicated that honey processing, combined with drying, significantly influenced coffee bean VOCs, enhancing caramel, roasted aroma, and buttery flavor—crucial for the characteristic volatile metabolites of Yunnan arabica coffee beans.

CAS / MDL: 106-35-4 67-56-1
研究领域: 食品科学 · 分析化学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2022 · IF 6.056

Identification of changes in the volatile compounds of robusta coffee beans during drying based on HS-SPME/GC-MS and E-nose analyses with the aid of chemometrics

Ke Zhang,Jinhuan Cheng,Qidi Hong,Wenjiang Dong,Xiaoai Chen,Guiping Wu,Zhenzhen Zhang

In this study, headspace solid-phase microextraction/gas chromatography-mass spectrometry (HS-SPME/GC-MS) and electronic-nose (E-nose) analyses were performed to examine the comprehensive flavor profiles of robusta coffee during heat air drying. A total of 62 volatile compounds were identified by HS-SPME/GC-MS, the level of acids, aldehydes, alcohols and esters decreased during drying process, however, the relative content of hydrocarbons and acids increased. Principal component analysis of the E-nose results clearly differentiated the samples related to drying time, and it was found that samples of initial stages (0 h, 3 h, and 6 h) had strong positive with different sensors. Partial least squares-discriminant analysis (PLS-DA) indicated that alcohols, ketones, and esters were the main contributing compounds to the flavour of coffee beans. The VIP score of PLS-DA larger than one illustrated that T30/1, T70/2, PA/2, and P30/2 were positive with ketones, sulfur compounds, and esters. These results could provide theoretical evidence about the change rule in volatile compounds of coffee beans during drying process, and could be applied to other thermally sensitive tropical agricultural products.

CAS / MDL: 106-35-4
研究领域: 食品科学 · 化学计量学
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Food Analytical Methods · 2018 ·Vol. 12 ·期 2 ·544-557 · IF 2.245

Comparison of Aroma Profiles of Traditional and Modern Zhenjiang Aromatic Vinegars and Their Changes During the Vinegar Aging by SPME-GC-MS and GC-O

Al-Dalali Sam,Zheng Fuping,Sun Baoguo,Chen Feng

Zhenjiang aromatic vinegar is one of the most popular vinegars in China, which can be produced by either traditional or modern techniques. Aroma profiles of the traditional Zhenjiang aromatic vinegar (TZAV) and the modern Zhenjiang aromatic vinegar (MZAV) at different stages of their aging were analyzed by headspace solid-phase microextraction (HS-SPME) with an aid of DVB/CAR/PDMS fiber combined with gas chromatography-mass spectrometry (GC-MS) and gas chromatography-olfactometry (GC-O). A total of 53 volatile compounds were identified. Among them, 43 aromas were positively identified after comparison with their corresponding authentic compounds. Two volatiles, including isopentyl alcohol and butyl benzoate, were only identified in TZAV, while propiophenone was only identified in MZAV. In addition, some volatiles were found to be generated during the aging period, which included isopentyl alcohol, 3-(methylthio)propyl acetate, and 2-acetoxy-3-butanone in the TZAV samples, and 2-ethyl-1-hexanol, octanoic acid, propiophenone, and dimethyl trisulfide in the MZAV samples. The total amount of volatile compounds in the MZAV was greater than its counterpart TZAV. Moreover, 29 odor-active compounds were recognized by GC-O analysis, while 25 of them were confirmed by their authentic compounds, and their perceived odors included sweet, acid, buttery, floral, herbal, fruit, fresh, pungent, almond, and geraniol notes.

研究领域: 食品科学 · 分析化学 · 农学
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Food Bioscience · 2025 · IF 5.9

Elucidation of the key aroma compounds of floral and fruity aroma in sauce-flavored Baijiu by pervaporative membrane separation, GC-IMS, GC-MS, and Aroma Omission Studies

Zhen Mou,Xuemei Cai,Jingyun Liu,Ruijie Deng,Zhaonan Liu,Ruiyu Fan,Jian Tang,Aimin Luo

Floral and fruity aromas are vital indicators for evaluating the quality of the sauce-flavored Baijiu, however, are hard to analyze and elucidate due to the interference of other aromas in the liquor. Herein, we developed a pervaporation membrane separation technology (PV), that effectively reduces the complexity of analyzing floral and fruity aromas and enables the identification of key flavor compounds of the floral and fruity aromas in sauce-flavored Baijiu. Contributed to the separation via PV on flavor, liquor samples differing in floral and fruity aromas are efficiently separated that allows to be sensitively analyzed by gas chromatography-ion mobility spectrometry (GC-IMS) and gas chromatography-mass spectrometry (GC-MS). We found that a total of 29 compounds that potentially contributed to floral and fruity aroma. Aroma recombination and omission/addition experiments were conducted to verify the contribution of these compounds to the overall aroma, leading to the identification of 15 key aroma compounds including affecting floral and fruity aromas. And discovered esters serving as key components for contributing floral and fruity aromas. Meanwhile, Acetals can make the aromas become more coordinated and aldehydes facilitate floral and fruity aroma release. The work contributes to a tool for elucidating complexity of flavor compounds in Baijiu.

CAS / MDL: 71-43-2 589-62-8
研究领域: 食品科学 · 分析化学
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INDUSTRIAL CROPS AND PRODUCTS · 2019 · IF 4.191

GC-MS profiling, bioactivities and in silico theoretical explanation of cone oil from Pinus thunbergii Parl

Yi Yang,Jing Meng,Chang Liu,Yunci Zhang,Jing Tian,Dongyu Gu

The exploration of effective α-amylase inhibitors may lead to an efficient approach to treat diabetes. In vitro tests showed that the cone oil of Pinus thunbergii was more effective on α-amylase than on lipase. Twenty-four chemical compounds were identified by gas chromatography-mass spectrometry (GC–MS), representing 89.88% of the cone oil. The major compounds were D-limonene and α-pinene. To explore the active compounds in the oil mixture, we investigated the identified compounds through molecular docking. Results indicated that aromadendrene, α-copaene, β-copaene, caryophyllene and γ-cadinene with low binding energies demonstrated potential activity on α-amylase. Among them, aromadendrene completely enfolded in the active site was the major active compound. Its activity was assayed in vitro , and the IC 50 value was 63.84 ± 0.17 μg/mL. The study revealed that these active compounds acted alone or synergistically to inhibit α-amylase.

CAS / MDL: 609-99-4 1492-30-4
研究领域: 药理学 · 生物化学 · 植物科学 · 分子生物学
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2025 · IF 6.6

Volatile organic compound dynamics in Ugni Blanc and Vidal wines during fermentation in the Hexi Corridor (China): Insights from E-nose, GC-MS, GC-IMS, and multivariate statistical models

Yinghu Ma,Yuanyuan Wang,Jia Li,Bo Wang,Min Li,Tengzhen Ma,Yumei Jiang,Bo Zhang

In this study, the dynamic changes of volatile organic compounds (VOCs) in Ugni Blanc and Vidal wines during different fermentation stages in the Hexi Corridor region (China) were comprehensively investigated using a combination of GC-MS, GC-IMS, and E-nose techniques. 71 and 63 VOCs were identified through GC-MS and GC-IMS, respectively, with esters, alcohols, aldehydes, and ketones comprising the predominant compounds. The fermentation process induced significant changes in the composition and concentration of VOCs. Furthermore, E-nose analysis demonstrated effective discrimination between Ugni Blanc and Vidal wines. The orthogonal partial least squares discriminant analysis and Random Forest models were employed to analyze GC-MS and GC-IMS data, facilitating the identification of VOCs that significantly influence these wines at various fermentation stages. By combining the calculation of OAV and ROAV, 9 potential key aroma compounds were identified, including ( Z )-3-hexenyl acetate, isoamyl acetate, ethyl octanoate, ethyl laurate, 1-octanal, 1-pentanal, isobutyraldehyde, 1-octen-3-ol, and β -damascenone. This study provides valuable insights into the dynamic changes of VOCs during the fermentation of Ugni Blanc and Vidal wines, offering a foundation for improved fermentation control and enhanced wine quality.

研究领域: 食品科学 · 分析化学
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JOURNAL OF CHROMATOGRAPHY A · 2024 · IF 3.8

Determination of strobilurin fungicides residual in vegetables based on amino modified magnetic graphene oxide solid phase extraction coupled with GC–MS/MS

Qinghua Yang,Qianying Qiu,Yilan Shi,Jinxin Wang,Feng Chen,Juan Yang,Weibing Zhang,Zhen Yin

This research investigated the creation and utilization of an amino-functionalized magnetic graphene oxide (Fe₃O₄-NH₂@GO) nanocomposite as a selective sorbent for extracting and identifying strobilurin fungicides (SFs) from vegetable samples. The investigation utilized a method where magnetic solid phase extraction (MSPE) was integrated with Gas chromatography-triple quadrupole mass spectrometer (GC–MS/MS) for analysis. The physicochemical properties of synthesized sorbent were characterized using Scanning electron microscope (SEM) , Fourier infrared transform spectrum (FT-IR) , X Ray Diffraction (XRD), and vibrating sample magnetometry (VSM) techniques. The adsorption performance of Fe₃O₄-NH₂@GO aligned with the pseudo-second-order kinetics, Elovich, and Freundlich isothermal adsorption models, suggesting various interactions with SFs, including π-π interactions, hydrogen bonding, and electrostatic forces. The maximum adsorption capacity of two selected representative SFs (Picoxystrobin and E-metominostrobin) for the adsorbent were 55.85 mg/g and 47.35 mg/g, respectively. Additionally, the amino group exhibited notable potential for SFs adsorption. Parameters for MSPE, such as the quantity of sorbent, adsorption duration, eluent types and volumes, and sample pH, were optimized. Under optimal conditions, the developed method showed satisfactory performance within a range of 10 to 2000 µg L⁻¹ (R² ≥ 0.9969), low detection limits (0.01–0.080 µg/kg), high analyte recovery (80.5–104.3 %), and good precision (RSD ≤ 4.96 %, n = 6). This method is rapid, straightforward, environmentally friendly, demonstrates good sensitivity and providing a new perspectives on developing sorbents for SFs in complex food matrices. Also Fe₃O₄-NH₂@GO as a sorbent firstly used for extraction and enrichment of phenyl fungicides residues in food samples exhibits remarkable promise, thereby contributing to the advancement of pesticides residue determination methodologies.

研究领域: 分析化学 · 食品安全
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2024 · IF 5.7

Comparative Investigation of Aroma-Active Volatiles in (“Ruixue”, “Liangzhi”, “Crystal Fuji,” and “Guifei”) Apples by Application of Gas Chromatography–Mass Spectrometry–Olfactometry (GC–MS–O) and Two-Dimensional Gas Chromatography-Quadrupole Mass Spectrometry (GC × GC-qMS) Coupled with Sensory Molecular Science

Ning Ma,Jiancai Zhu,Heng Wang,Michael C. Qian,Zuobing Xiao

Aroma dramatically impacts the overall flavor profiles and consumer acceptance; therefore, it is necessary to conduct a comprehensive analysis of the aroma characteristics of apples. In this study, the aroma differences among four popular apple varieties (“Ruixue”, “Liangzhi”, “Crystal Fuji,” and “Guifei”) were compared using two extraction methods (headspace-solid phase microextraction, and solvent-assisted flavor evaporation) coupled with gas chromatography–mass spectrometry–olfactometry (GC–MS–O) and two-dimensional gas chromatography-quadrupole mass spectrometry (GC × GC-qMS). A total of 82 odorants were identified via GC–MS–O, and 143 volatiles were identified by GC× GC-qMS. Among them, 41 key aroma-active compounds (butanal, ethyl acetate, 3-methylbutanal, methyl butanoate, 2-methylpropyl acetate, ethyl 2-methylbutanoate, ethyl 3-methylbutanoate, butyl acetate, hexanal, 2-methylbutyl acetate, 1-butanol, 2-methylpropyl butanoate, 3-methylbutyl acetate, (E)-2-hexenal, butyl butanoate, butyl 2-methylbutanoate, hexyl acetate, hexyl butanoate, hexyl, 2-methylbutanoate, 1-octen-3-ol, 3-methylthiopropanol, 1,3-octanediol, linalyl acetate, and so on) with high odor activity values (OAVs) and AI value (odor activity values ≥1 or aroma intensity ≥3) were identified. Partial least-squares-discriminant analysis showed that Ruixue exhibited a high “fruity” note, Guifei and Crystal Fuji had the greatest “wood,” “floral,” and “sweet” notes, while Liangzhi presented a significant “green” note. This study provided flavor chemistry support for the apple quality control and production.

CAS / MDL: 539-90-2
研究领域: 食品科学 · 植物学
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY · 2020 · IF 2.09

Quantitative detection and metabolic profile analysis of metabolites of tricarboxylic acid cycle and amino acids in psoriasis serum before and after receiving monoclonal antibody treatment by one-pot GC-MS derivatization

Jiaxing Fan,Jianglu Zhou,Shenmin Su,Yunqiu Yu,Lihong Chen,Yunchen Le,Xiaopan Wang,Li Zhang,Jie Zheng,Xia Li

Psoriasis is a common chronic inflammatory skin disease which may exhibit a variety of skin clinical manifestations associated with multiple comorbidities. However, its pathogenesis associated with metabolism has not yet been understood. The metabolites of tricarboxylic acid (TCA) cycle and amino acids are interlinked with each other and involve many physiological processes. This study determined 32 metabolites of TCA cycle and amino acids in psoriasis using an improved GC-MS method. This one-pot derivatization applied silanization and oximation simultaneously for easy, quick and sensitive quantitative detection of 32 metabolites in serum of patients with psoriasis. Through the established GC-MS method, 32 metabolites in serum were detected in a single run. The result of this preliminary study showed that there were significant alterations of the metabolites in tricarboxylic acid (TCA) cycle and amino acids before and after treatment. A shift towards healthy controls of these metabolites after treatment was observed using principal component analysis (PCA) as well. Receiver operating-characteristic curve (ROC) analysis of the analyzed 32 metabolites filtered 5 potential biomarkers of the clinical efficacy of the treatment. This result suggested the importance of these metabolites in the pathogenesis of psoriasis. To our best know, this is the first targeted metabolomics work to study the changes of TCA cycle metabolites and amino acids in the background of treatment of psoriasis.

研究领域: 医学 · 代谢组学
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CyTA-Journal of Food · 2018 · IF 1.371

Stachyose combined with tea polyphenols mitigated metabolic disorders in high fructose diet-fed mice as studied by GC-MS metabolomics approach

Yingmei Wu,Wenfeng Li,Yalong Lu,Qiu Wu,Xingbin Yang

High fructose (HF) ingestion is a common risk factor for the development of nonalcoholic fatty liver disease (NAFLD), which has become a serious health problem. The underlying mechanism of HF-induced NAFLD needs to be further understood and an effective prevention needs to be established urgently. Gas chromatography-mass spectrometer-based metabonomic method was employed to characterize the serum metabolic profile of HF-induced NAFLD in mice. β-Hydroxybutyric acid, elaidic acid and oleic acid that contributed to energy and lipid metabolism were confirmed as potential biomarkers for HF-induced NAFLD. With these changed metabolic pathways as possible drug targets, different administrations revealed that co-administration of stachyose and tea polyphenols was a more effective method than treatment of stachyose or tea polyphenols alone for preventing HF-induced negative changes of metabolic pathways in mice. These findings suggest that β-hydroxybutyric acid, elaidic acid and oleic acid are potential biomarkers in HF-induced NAFLD, and co-administration is a novel preventive strategy.

研究领域: 营养学 · 代谢组学 · 药理学 · 生物化学 · 食品科学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2022 · IF 4.52

Pre-column derivatization with trimethylsilyl diazomethane coupled with ASE-SPE-GC-MS/MS method for the quantification and validation of penicillin G residues in poultry tissues and pork

Chujun Liu,Xing Xie,Yawen Guo,Bo Wang,Kaizhou Xie,Yuhao Dong,Chenggen Yang,Zhixin Feng,Wenbin Bao

A novel, simple and high-sensitivity gas chromatography-tandem mass spectrometry (GC-MS/MS) method combined with external calibration was developed for the qualitative and quantitative determination of penicillin G residues in poultry tissues and pork. Samples were extracted by an ASE 350 apparatus with 0.2 mol/L phosphate buffer solution (pH 8.0) and purified on HLB solid-phase extraction (SPE) cartridges (60 mg/3 mL). Trimethylsilyl diazomethane (TMSD) was selected as the derivatization reagent for precolumn derivatization. The recoveries of analytes at the limit of quantitation (LOQ) and 25, 50 and 100 μg/kg ranged from 80.67% to 96.18%, with RSDs below 3.17%. The determination coefficient (R 2 ) values were above 0.9993 in the corresponding concentration range. The limits of detection (LODs) (S/N ≥ 3) and LOQs (S/N ≥ 10) ranged from 1.50 to 4.10 μg/kg and 4.50–8.20 μg/kg, respectively. In addition, the newly established method was implemented to analyze poultry tissues and pork purchased from a local market, demonstrating the sensitivity and applicability of the method.

研究领域: 分析化学 · 食品安全 · 兽医药理学
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