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Current Research in Food Science · 2025 · IF 7

Drying-method dictates green-tea flavor: Key odorants, OAV-based markers and precursor fate mapped by GC-MS/O and targeted metabolomics

Tianzi Yu,Yulin Fan,Jixing Zhang,Jingming Ning

Green tea occupies a prominent position in the Chinese tea market. Although drying the tea constitutes a critical processing step, its mechanistic impact on aroma quality remains unclear. This study aimed to investigate the effects of three drying methods—roasted drying (RD), pan drying (PD), and sun drying (SD), namely, on green tea aroma formation. Sensory molecular science and targeted metabolomic analyses indicated that PD resulted in distinct chestnut- and bean-like aromas, while SD resulted in fatty and green aromas. ( E )-2-heptenal, ( E )-2-octenal, and nonanal, characteristic of SD green tea, were found to be the key sources of fatty aroma. These compounds are typically produced by the degradation of unsaturated fatty acids such as linoleic, oleic, and palmitic acids. Conversely, 2,5-dimethylpyrazine and 3,5-diethyl-2-methylpyrazine, generated through the Maillard reaction (MR), were identified as primary contributors to the chestnut- and bean-like aromas resulting from PD. Precursor analysis (soluble sugars, free amino acids, fatty acids, and MR intermediates) substantiated these findings. This study systematically elucidates drying-driven aroma modulation mechanisms, providing a theoretical foundation for optimizing the aroma quality of green tea.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2022 ·Vol. 11 ·期 18 ·2804 · IF 5.561

GC–MS Untargeted Analysis of Volatile Compounds in Four Red Grape Varieties (Vitis vinifera L. cv) at Different Maturity Stages near Harvest

Xiaobo Gu,Xue Zhang,Keqing Wang,Xi Lv,Ruyi Li,Wen Ma

Grape volatile compounds directly determine the aroma quality of wines. Although the aroma profile of grapes evolved greatly at different maturity stages, there were less considerations for aroma status when determining grape harvest time. In the present study, several maturation indicators, namely, sugars/acids ratio, free volatile compounds, bound volatile compounds and IBMP (3-isobutyl-2-methoxypyrazine) content were monitored in four red wine grape varieties (Vitis viniferaL. cv Cabernet Sauvignon, Cabernet Gernischet, Cabernet Franc and Merlot) near harvest time (42 days) in Ningxia, China. The results showed that the highest sugars/acids ratio was reached on day 21 and day 28 for Merlot and the other three varieties, respectively. For both free and bound volatile compounds, the content of carbonyl compounds decreased continuously in the process of ripening. The contents of free alcohols, esters and terpenes increased in the ripening stage and decreased in the stage of over-ripening. The accumulation of favorable bound aroma compounds peaked at day 35. The content of IBMP presenting a green smell in all four varieties descended continuously and kept steady from day 28. Therefore, the present findings revealed that the best aroma maturity time of four studied grape varieties was later than the sugars/acids ratio in Ningxia region. Aroma maturity should be taken into account during harvest time determination.Keywords:wine grape;volatile compounds;aroma maturity;harvest

研究领域: 葡萄栽培学 · 食品科学
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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8

Integrating GC–MS, high-throughput sequencing, and machine learning to elucidate flavor development and microbial succession in Italian-style dry-cured ham

Xiangxiang Sun,Mengwei Shi,Wenxiang Jiang,Xiaohui Li,Ahmed S.M. Saleh,Hongyan Zhang

This study investigated effects of ripening on physicochemical, aroma profiles, and microbial succession in Italian-style dry-cured ham (ISDCH). Results showed that moisture content and pH decreased significantly during ripening, while the proteolytic index, cohesiveness, and hardness increased. Seventeen key volatile compounds were identified, with aldehydes dominating early ripening and esters becoming enriched in later stages. High-throughput sequencing showed dynamic microbial shifts, with Staphylococcus and Tetragenococcus emerging as dominant genera at the mid-to-late ripening stages. Sixteen potential biomarkers were identified through random forest analysis. Correlation analysis further indicated that Tetragenococcus was closely associated with ester formation, contributing to enhanced aroma complexity. These results provide new insights into microbial contributions to flavor development in ISDCH and offer guidance for selecting potential starter cultures to improve product quality.

CAS / MDL: 629-62-9
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Analytical Methods · 2015 ·Vol. 9 ·期 7 ·2026-2035 · IF 1.956

A Novel Molecularly Imprinted Polymer Based on Carbon Nanotubes for Selective Determination of Dioctyl Phthalate from Beverage Samples Coupled with GC/MS

Du Jiaojiao,Gao Ruixia,Mu Hui

Phthalates represent a potential risk for humans, since they are ubiquitous environmental contaminants. Efficient extraction and purification procedures are demanded for the detection of low concentration levels of phthalates. In this work, a novel type of molecularly imprinted polymers coated onto the surface of vinyl functionalized multi-walled carbon nanotubes was synthesized and coupled with gas chromatography–mass spectrometry (GC/MS) for the selective separation and determination of dioctyl phthalate (DOP) in beverage samples. The morphology, structure property, and thermostability of the resultant polymers were characterized by transmission electron microscopy, Fourier transform infrared spectroscopy, and thermogravimetric analysis. The adsorption properties of the prepared polymers were investigated by equilibrium rebinding and competitive experiments. The resultant imprinted nanomaterials exhibited high capacity and favorable selectivity. In addition, the feasibility of the developed method using the obtained imprinted polymers as a solid-phase sorbent coupled with GC/MS for the selective isolation and determination of DOP in different beverage samples was demonstrated. Under optimal conditions, the limit of detection of the proposed method for DOP was 2.3 ng L −1 . DOP spiked at three levels of concentration in beverage samples was extracted and determined through the application of the present method, with recoveries ranging from 88.6 to 93.0 % with relative standard deviations less than 5.6 %.

研究领域: 分析化学 · 环境毒理学 · 食品安全 · 分子识别 · 材料科学 · 色谱分析
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Analytical Methods · 2026 · IF 2.6

Identification of key aroma components in Rose Lujiu from different origins based on e-nose, e-tongue, GC-MS and GC-IMS

Jun-Xia Li,Min Gong,Chao Ma,Yao-Yao Li,Ling-Xiao Liu,Bin Wang,Jin-Jing Ren,Sheng-Ming Lei,Yun-Guo Liu

Rosa rugosa Thunb. can be skillfully blended with high-quality, mellow Baijiu to produce Rose Lujiu (RL), which emits a delightful aroma. In this study, e-nose, e-tongue, GC-MS, and GC-IMS were employed to analyze the aromatic compounds. Relative odor activity value (ROAV) analysis and orthogonal partial least squares discriminant analysis (OPLS-DA) were employed to comprehensively assess volatile compounds and predict key aroma compounds. A total of 111 volatile compounds were identified using GC-MS analysis. Additionally, GC-IMS analysis identified a total of 70 aroma compounds, among which 13 key contributors to the aroma were determined based on odor activity thresholds. These results indicate that ethyl acetate, ethyl butanoate, propyl hexanoate, and 3-methyl-1-butanol emerged as pivotal odorants enabling discrimination among different RL samples. These findings would provide valuable data for the application of commercial samples in the flavor modulation of RL.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2026 · IF 7.1

Vitriolic and sensory characterization of commercial pomegranate wines: Key aroma-active compounds revealed by HS-SPME-GC-MS and HS-GC-IMS

Xuemei Yang,Zihan Liu,Tingting Qi,Juanxia Yang,Jiawei Qi,Lei Xu,Cheng Liu

First dual-technique volatilomic analysis of pomegranate wine. • Triple-screening for key aroma compounds in pomegranate wine. • PLSR correlated volatiles with sensory attributes in pomegranate wine. • Data driven strategy bridging chemical analysis and industrial application. Key aroma-active compounds of pomegranate wine remain inadequately characterized. Herein, volatile profiles of twelve commercial pomegranate wines and one dry red wine were analyzed using complementary headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). 144 volatile compounds were identified and quantified. Through an integrated screening approach combining odor activity values (OAV >1), relative odor activity values (ROAV >1), and variable importance in projection (VIP >1), 21 key aroma-active compounds were determined. Esters such as ethyl hexanoate (OAV up to 11,122), ethyl octanoate (up to 23,920), and ethyl butanoate (up to 4626) dominated fruity and floral notes, while ( E )-2-hexenal and hexanal contributed green attributes. Blended pomegranate-grape wines exhibited enhanced ester profiles. Sample P3 (with ashberry) achieved the highest sensory score (87.91/100), which was attributed to high linalool (OAV = 3909) and ionone (OAV = 25,711). Partial least squares regression (PLSR) confirmed positive correlations between ethyl esters and fruity/floral notes. Based on these findings, a practical quality control strategy was proposed, including target OAV benchmarks and the recommended use of GC-IMS for rapid volatile screening. This study provides a flavor fingerprint and theoretical support for quality control and improvement of pomegranate wine.

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Food Bioscience · 2024 · IF 4.8

Uncovering the flavor differences between black rice wine and glutinous rice wine by GC-MS, GC-IMS, HPLC, and electronic sensory analysis

Aoxing Tang,Bangzhu Peng

The black rice bran component (BRBC) is the main difference between black rice and glutinous rice, but its influence on the flavor of rice wines brewed from them is ambiguous. To address this, the flavor profiles and compounds of four rice wines — brewed from glutinous rice (B), glutinous rice with BRBC (added), polished black rice (without BRBC), and whole black rice (HH) — were analyzed using e-nose, GC-MS and GC-IMS. The e-nose revealed significant aroma profile differences between B and HH, with 47 and 49 volatile compounds detected by GC-MS and GC-IMS, respectively. Orthogonal partial least-squares discrimination and fold change analysis highlighted the significant impact of BRBC on the aroma differences between HH and B. Chemometrics and odor activity values identified isoamyl acetate, ethyl caprylate, (E)-2-octenal, phenylethyl acetate, ethyl caproate, 2,4-heptadienal, and 1-octen-3-ol as key contributors to the fresh and fruity aroma in B, while ethyl butanoate, ethyl isoiautyrate, benzene acetaldehyde, (E)-2-octen-1-ol, guaiacol, and heptanal were predominant in HH, contributing to its rich and complex aroma. The e-tongue indicated significant taste distinctions between HH and B, potentially due to the influence of the black rice bran component on the regulation of organic acid and free amino acid content. This study provides new insights into the regulation of rice wine flavor through raw materials.

研究领域: 食品科学 · 化学分析
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ANALYTICAL LETTERS · 2024 · IF 1.6

Determination of Preservative Allergens in Skincare Products by Gas Chromatography-Tandem Mass Spectrometry (GC-MS/MS) With Response Surface Methodology (RSM) Optimization

Tongtong Liu,Weina Han,Lulu Wang,Xiaoyu Hou,Jin Cao

The aim of this study was to optimize the extraction conditions of 15 preservative allergens from skincare products using response surface methodology (RSM) and determination by gas chromatography – tandem mass spectrometry (GC-MS/MS). The optimal parameters were: 50% acetonitrile (ACN) (% v/v), a solvent/sample ratio of 80, and an extraction time of 10 min. The method provided good linearity (R2 ≥ 0.990) from 0.01 to 2 µg/mL with low limits of detection (0.02–0.2 mg/kg) and quantification (0.04–1 mg/kg). Recoveries ranged from 70.1 to 125.6% and the relative standard deviations (RSDs) varied from 2.0 to 14.9%. The method was successfully applied to eighty skincare products to accurately quantify these preservatives allergens.

CAS / MDL: 7487-88-9
研究领域: 分析化学 · 化妆品科学
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RAPID COMMUNICATIONS IN MASS SPECTROMETRY · 2024 ·Vol. 38 ·期 20 ·e9893 · IF 1.8

Integrated network pharmacology and GC–MS-based metabolomics to investigate the chemical profile and efficacy of Anemarrhenae Rhizoma and its processed products

Wenyu Li,Jinhuan Wei,Xi Tian,Huiyi Zhang,Mengxin Yang,Yukun Niu,Qian Zhang,Nan Wang,Yiran Jin,Yingfeng Du

Rationale Anemarrhenae Rhizoma (AR) has been a frequently utilized traditional Chinese medicine (TCM) for an extended period, with its salt-processed variant being a prevalent application form. Contemporary pharmacological investigations have demonstrated that the salt-processed iteration exhibits a multitude of markedly augmented pharmacological properties. However, whether the pharmacodynamic material basis of this change is related to volatile substances remains unclear. The aim of this study was to develop a strategy to screen volatile pharmacodynamic substances in AR and salt-processed AR (SAR). Methods A comprehensive approach was developed to identify volatile pharmacodynamic compounds by integrating plant metabolomics, target network pharmacology, and molecular docking technology. Plant metabolomics using GC–MS analysis was conducted to identify volatile chemical markers distinguishing between AR and SAR. Subsequently, network pharmacology was utilized to investigate the correlation between chemical markers and associated diseases. Following this, molecular docking technology was utilized to explore the correlation between chemical markers and disease targets, resulting in the discovery of potential quality control markers. Results Fifty volatile compounds were isolated and identified in the salt of AR and SAR. The findings from plant metabolomics analysis demonstrated a distinct differentiation, revealing 13 volatile chemical markers that distinguish between AR and SAR. A target (PPARG) associated with diabetes was identified through target network pharmacology analysis. Thirteen volatile components were subsequently chosen as potential quality markers, taking into account their hypoglycemic activity. Conclusions The method developed provides a novel strategy for the identification of pharmacophores in AR and SAR, as well as establishing a foundation for the exploration of the volatile differential components and pharmacodynamics in various processed products of TCMs. Additionally, the findings of this study can serve as a theoretical framework for the development and utilization of volatile components in AR and its processed derivatives.

CAS / MDL: 141-78-6
研究领域: 中药学 · 代谢组学 · 药理学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF CHROMATOGRAPHY A · 2026 · IF 4

Portable cold-assisted head-space solid-phase microextraction coupled with GC–MS/MS for sensitive determination of trace polychlorinated naphthalenes in water

Yehong Han,Juntao Wang,Weihua Liu,Pengfei Li,Meiting Zhang,Xuhui Jin,Zhi Wang

A low-cost, battery-free cold assisted SPME device with 40 min cooling was developed. • It demonstrated a higher extraction efficiency for volatiles than conventional SPME. • The efficient cooling enables 30%–44% improvement in PCNs extraction via CA-SPME. • The CA-SPME-GC–MS/MS method achieves enrichment up to 4299 for eight PCNs. • It was successfully applied to the determination of PCNs in drinking water samples. A cold-assisted headspace solid-phase microextraction (CA-HS-SPME) method combined with gas chromatography–mass spectrometry (GC–MS) was developed for the determination of eight polychlorinated naphthalene (PCN) congeners in water sample. In the CA-HS-SPME setup, frozen gel served as the refrigerant and copper tube as the thermal conductor to cool the polydimethylsiloxane (PDMS) fiber during extraction, thereby enhancing extraction efficiency. The main experimental variables affecting the extraction performance, including temperature, extraction time, and salt concentration, were systematically optimized. Under the optimized conditions, the method exhibited good linearity over the range of 0.1/0.5/1–500 pg/mL, with the correlation coefficient ( r ) values ≥ 0.9962. The enrichment factors for the PCNs ranged from 955 to 4299, while the limits of detection and quantification were 0.02–0.28 pg/mL and 0.07–0.92 pg/mL, respectively. The intra-day and inter-day precisions (n = 6), expressed as the relative standard deviations, were 10.8%–16.3% and 12.2%–17.8%, respectively. The recoveries obtained from fortified water samples ranged from 90.7% to 117.8%. The proposed method is sensitive, simple, solvent-free, and provides an effective approach for the determination of trace PCNs in water. Download: Download high-res image (169KB) Download: Download full-size image

✓ 已验证 DOI PubMed 高影响因子
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Food Science & Nutrition · 2024 · IF 3.5

Evaluation of chemical components and quality in Xinhui Chenpi (Citrus reticulata ‘Chachi’) with two different storage times by GC–MS and UPLC

Junjie Shi,Lihua Peng,Weixuan Chen,Weilin Qiao,Kui Wang,Yueyang Xu,Jinle Cheng

Xinhui Chenpi (XHCP) is a well-known type of Chenpi (CP) widely used as both a Chinese herb and a food ingredient. While previous studies have explored how the quality of CP changes over time, there has been limited research specifically on XHCP. This study aims to assess the chemical components and quality of XHCP based on total flavonoid content (TF), antioxidant activity (AA), and color value (CV) at two stages: freshly harvested (XHCP-0Y) and after 3 years of storage (XHCP-3Y). Thirty-eight common volatile compounds were identified, and the content of 17 compounds among them, nine nonvolatile compounds, which included one alkaloid (synephrine), three phenolic acids (PA, protocatechuic acid, vanillic acid, and ferulic acid), and five flavonoids (narirutin, hesperidin, sinensetin, nobiletin, and tangeretin), were firstly detected by the newly developed gas chromatograph–mass spectrometer (GC–MS) and ultra-performance liquid chromatography (UPLC) methods. Compared to XHCP-0Y, the content of 17 volatile compounds and synephrine decreased in XHCP-3Y to varying degrees, while the content of PA, five flavonoids, TF, AA, and CV increased. The reduction of dryness caused by volatile compounds and the enhancement of efficacy related to PA, flavonoids, and AA suggested improved quality of XHCP after 3 years of storage. The methods developed in this study show promise for evaluating the quality of XHCP during the aging process.

研究领域: 生药学 · 分析化学 · 食品科学 · 中医药学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2023 · IF 8.1

Analysis of aroma components changes in Gannan navel orange at different growth stages by HS-SPME-GC–MS, OAV, and multivariate analysis

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.

CAS / MDL: 108-94-1
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