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Foods · 2026 ·Vol. 15 ·期 19 ·3570 · IF 6

Multi-Source Data Fusion Integrating HPLC, GC-IMS, and Multidimensional Biomimetic Technologies for Evaluating the Effects of Different Processing Degrees on the Quality of Salt-Processed Semen Cuscutae

Chenyang Deng,Mengqing Liu,Kaiwen Chen,Cetao Tang,Yue Kang,Hao Zhang,Yazhong Zhang,Chuanshan Jin,Deling Wu,Xiaoli Wang

Semen Cuscutaeis commonly used as a medicinal and edible functional food ingredient. Salt-processing can significantly alter its sensory quality and endogenous components. Currently, salt-processedSemen Cuscutaemainly adopts hyperoside as the quality evaluation indicator, which fails to meet the requirements for the identification of processing intensity (heat level) during the development of the traditional Chinese medicine industry. This study aims to construct a comprehensive quality evaluation framework for identifying the optimal processing degree of salt-processedSemen Cuscutae. Multi-dimensional bionic technologies including machine vision, electronic nose and electronic tongue, combined with HPLC and GC-IMS, were applied to analyze the changes in sensory characteristics and endogenous components of salt-processedSemen Cuscutaeacross different processing degrees. Characteristic indicators were comprehensively scored using the AHP-TOPSIS method. Compared with other groups, appropriately processed salt-processedSemen Cuscutaeexhibited a brown appearance, significantly different W1W/W2W sensor responses, resulting in a more harmonious taste profile and distinct volatile chemical markers. Further correlation analysis was performed among bionic sensing indicators, endogenous components and GC-IMS-derived volatile data. AHP-TOPSIS results demonstrated that salt-processedSemen Cuscutaewith an appropriate processing degree exhibits optimal comprehensive quality. The comprehensive quality evaluation framework established in this study provides scientific support for the process control and quality assessment ofSemen Cuscutaeas a functional food ingredient, and also offers a methodological reference for the processing evaluation of similar medicinal and edible food materials.

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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2026 · IF 4

Effects of chicken fat oxidation levels on flavor compounds and sensory properties of Maillard reaction products in chicken bone broth: HS-SPME-GC–MS and molecular simulation approach

Xinlei Shi,Heyan Li,Ling Yao,Nanyu Zhao,Zhihua Song,Jianhua Huang,Xiaosan Wang

BACKGROUND Moderate oxidation of chicken fat plays a vital role in enhancing meat aroma, yet the specific contributions of oxidation products to olfactory perception remain unclear. The present study investigated the effects of varying chicken fat oxidation levels on the volatile compounds and sensory properties of Maillard reaction products (MRPs) derived from chicken bone hydrolysate. RESULTS Headspace-solid phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC–MS) identified 132 volatile compounds in MRPs. Thirteen key aroma-active compounds exhibited odor activity values (OAVs) ≥ 1, notably ( E , E )-2,4-decadienal, ( E , E )-2,4-nonadienal and 2- n -heptylfuran, which contributed MRPs fatty, green and roasted notes. Molecular docking revealed that these volatiles formed stable interactions with specific human olfactory receptors, particularly OR1D2, with binding energies ranging from −6.2 to −3.8 kcal mol −1 . Among them, ( E , E )-2,4-decadienal exhibited the highest binding affinity (−6.2 kcal mol −1 ). Molecular dynamics simulations (100 ns) were further performed to assess the dynamic stability and key interactions of these receptor-ligand interactions. The results indicated that the complexes reached equilibrium after approximately 10–20 ns. Specifically, ( E , E )-2,4-decadienal exhibited the most stable binding conformation, characterized by a root mean square deviation of approximately 0.50 nm and persistent hydrogen bonding with Tyr-182. CONCLUSION Moderate lipid oxidation (specifically the O3 treatment, oxidized for 1.5 h) significantly enhanced chicken flavor by generating key aroma-active compounds that tightly and stably bind to human olfactory receptors. These findings provided theoretical insights into the potential molecular interaction mechanisms of meat aroma perception and suggested that controlled lipid oxidation is a feasible strategy for flavor enhancement. © 2026 Society of Chemical Industry.

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SCIENCE OF THE TOTAL ENVIRONMENT · 2022 · IF 10.753

m6A contributes to a pro-survival state in GC-2 cells by facilitating DNA damage repair: Novel perspectives on the mechanism underlying DEHP genotoxicity in male germ cells

Haowei Fu,Xiaofang Zhu,Qiannan Di,Jiahui Sun,Qianqian Jiang,Qian Xu

Di(2-ethyl-hexyl) phthalate (DEHP), an environmental endocrine disruptor, can destroy the sperm genomic integrity and impairs spermatogenesis. N6-methyladenosine (m6A) is involved in the cellular effects of DEHP. However, the genotoxic effect of DEHP on spermatocytes and the possible role of m6A in this process remain unclear. This study demonstrated that m6A alleviates DEHP genotoxicity in GC-2 cells. In DEHP-treated mice, DNA double-strand breaks (DSBs) were induced in the testis and spermatocytes. To further explore the molecular mechanism of DEHP genotoxicity on spermatocytes, GC-2 cells were exposed to DEHP. DEHP produced distinct genotoxicity and caused DSBs, which led to the inhibition of DNA synthesis and cell cycle arrest. The DNA damage response (DDR) was initiated to repair the DSBs induced by environmentally relevant levels of DEHP (100 μM and 200 μM). During this process, METTL3 upregulated m6A, which facilitated the DDR via stabilizing the DNA damage repair factors ( Rad51 and Xrcc5 ) mRNA to maintain the pro-survival state. Moreover, Mettl3 knockdown partially inhibited DDR. Interestingly, high-dose DEHP (400 μM and 600 μM) directly induced apoptosis rather than the pro-survival state. Altogether: METTL3-mediated m6A participates in maintaining the pro-survival state by upregulating DDR, providing guidance for mitigating the genotoxicity of environment-related level DEHP exposure.

CAS / MDL: 117-81-7
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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.

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INDUSTRIAL CROPS AND PRODUCTS · 2023 · IF 5.9

A comprehensive study of the effect of drying methods on compounds in Elaeagnus angustifolia L. flower by GC-MS and UHPLC-HRMS based untargeted metabolomics combined with chemometrics

Jia-Ni Zhang,Meng-Han Ma,Xing-Ling Ma,Feng-Lian Ma,Qing-Yu Du,Jia-Nan Liu,Xing-Cai Wang,Qi-Peng Zhao,Yong-Jie Yu,Yuanbin She

The effect of drying methods on the variations of volatile, semi-volatile, and involatile compounds in Elaeagnus angustifolia L. (E.A.) flower was comprehensively investigated by using gas chromatography-mass spectrometry (GC-MS) and ultrahigh performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) based untargeted metabolomics combined with our recently developed automatic data analysis software AntDAS for the first time. About 21 volatile compounds, 44 semi-volatile compounds, and 17 involatile compounds were identified and showed significant differences among drying methods. Chemometric methods like principal components analysis (PCA), and partial least squares-discriminant analysis (PLS-DA) were used in combination with heatmap analysis to reveal the relationship between compound compositions and drying methods. Finally, it was concluded that room-temperature drying is more conducive to preserving volatile compounds in E.A. flower, and hot air drying is better for preserving semi-volatile and involatile compounds. This work can provide guidelines for industrial processes of E.A. flower.

CAS / MDL: 7647-14-5 7757-82-6
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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
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2023 · IF 6

Applying HS-SPME-GC-MS combined with PTR-TOF-MS to analyze the volatile compounds in coffee husks of Coffea arabica with different primary processing treatments in Yunnan

Li Wan,Hong Wang,Xinyuan Mo,Yueping Wang,Lianping Song,Liangyan Liu,Wenjuan Liang

Primary processing treatments are crucial to the flavor profile of coffee beans, which create the flavor precursors basis in coffee husks and diffuse into the beans, with satisfying outcomes. In this study, eleven coffee husks of Coffea arabica with different primary processing treatments (sun exposure, washing and honey treatment) from three latitudes of Yunnan were investigated by the combination of HS-SPME-GC-MS and PTR-TOF-MS. A total of 114 volatile organic compounds (VOCs) and 77 masses were identified. The characteristic compounds octanoic acid ( S1 ) and methyl linoleate ( S11 ) in sun-exposed, phenethyl alcohol ( F4 ), methyl salicylate ( F7 ), 3,5-dimethylbenzaldehyde ( F9 ) and phytone ( T9 ) in washed and n -hexadecanoic acid ( S9 ) of honey-treated husks were recognized by the ions at m/z 33.032, m/z 68.049, m/z 83.049, m/z 67.054, m/z 57.034, m/z 41.030 and m/z 49.010, respectively. This study demonstrated the feasibility and complementarity of HS-SPME-GC-MS and PTR-TOF-MS in the rapid identification of VOCs in coffee husks. Meanwhile, the antioxidant capacities of the 11 husks were evaluated in vitro , and the sun-exposed samples exhibited most promising potency, in which methyl salicylate ( F7 ), methyl linoleate ( S11 ), methyl linolenate ( S13 ), ethyl linoleate ( S14 ), ethyl linolenate ( S16 ), linalool ( T1 ), citronellol ( T2 ) and caffeine ( J3 ) contributed mainly to the antioxidant capacities.

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TALANTA · 2018 · IF 4.244

A hydrophobic deep eutectic solvent mediated sol-gel coating of solid phase microextraction fiber for determination of toluene, ethylbenzene and o-xylene in water coupled with GC-FID

Tiemei Li,Yuefei Song,Jingjie Xu,Jing Fan

As a new type of green solvents , deep eutectic solvents (DESs) are attracting more and more attentions due to their unique properties and cheapness. However, most DESs reported previously were hydrophilic and thus limiting their applications in aqueous medium. In this study, a novel hydrophobic DES was prepared by mixing ethylparaben and methyl trioctyl ammonium chloride , and density, viscosity, and contact angle of the DES were determined to character its solvent characteristics. Then, this DES was used as an efficient additive of sol-gel sorbent coating of poly(dimethylsiloxane) (PDMS) fiber. It was found that the addition of hydrophobic DES could generate a lot of neat pores in the PDMS fiber surface, thus significantly improving the performance of PDMS fiber coating. The feasibility of PDMS-DES adopted for head space solid phase microextraction was evaluated by GC-FID for the extraction and determination of volatile organic compounds, such as toluene, ethylbenzene and o -xylene. Key parameters affecting the extraction efficiency were investigated systematically. Under optimal conditions, the linear range with PDMS-DES fiber lied between 10 and 1000 μg L −1 , and the limit of detection (LOD) was in the range from 0.005 to 0.025 μg L −1 . Compared with homemade PDMS fiber, the peak area of signal response for the PDMS-DES fiber was 3 times higher. At the same time, the LOD for the proposed method was much lower than the commercial 100 µm-PDMS fiber coating.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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ANALYST · 2015 ·Vol. 141 ·期 1 ·243-250 · IF 4.107

Preparation of porous aromatic framework/ionic liquid hybrid composite coated solid-phase microextraction fibers and their application in the determination of organochlorine pesticides combined with GC-ECD detection

Mingxue Wu,Gang Chen,Ping Liu,Weihong Zhou,Qiong Jia

A novel hybrid material incorporating porous aromatic frameworks and an ionic liquid, 1-(triethoxy silyl)propyl-3-aminopropyl imidazole hexafluorophosphate, was prepared as solid-phase microextraction coating and employed for the extraction of organochlorine pesticides. Combining the advantages of porous aromatic frameworks and an ionic liquid, the fiber exhibited a high adsorption capacity for organochlorine pesticides. Under optimized experimental conditions, enhancement factors of 247–1696 were obtained with good linearity in the range of 1–500 μg L−1. The detection limits and quantification limits were determined to be in the range of 0.11–0.29 μg L−1 and 0.35–0.93 μg L−1. The relative standard deviations for six replicates of organochlorine pesticides were in the range of 4.4%–7.2% and 5.7%–10.1% for one fiber and fiber-to-fiber, respectively. By coupling with a gas chromatography–electron capture detector, the novel fiber was successfully used for the determination of organochlorine pesticides in juice and milk samples with recoveries of 76.1%–121.3%.

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FOOD CHEMISTRY · 2026 · IF 9.8

Integrated application of e-nose, e-tongue, GC–MS, and LC–MS/MS reveals volatile profile and metabolic pathway variations of Fuji apples from Aksu and Yili producing regions

Yawen He,Chengxun Lin,Bin Zhang,Zixuan Wang,Jiangui Li,Zhenfan Yu

Fuji apples from the Aksu production region are highly favored by consumers. In contrast, those from the Yili region exhibit marked differences in flavor profiles, the mechanisms of which remain unclear. This study investigated the flavor variations in Fuji apples from these two producing regions by integrating analyses of both volatile and non-volatile metabolites. The results from the electronic nose and electronic tongue indicated that the sensors for W1W, W2W, W5S, and sourness exhibited the most pronounced responses in Fuji apples from the Aksu region. 16 key aroma-active compounds and 143 non-volatile differential compounds were identified. The aroma of Fuji apples was predominantly characterized by esters and terpenoids, with representative compounds including hexyl 2-methylbutanoate, 3-Methylbutyl acetate, 2-Methylbutyl acetate, and citronellol. These compounds collectively impart fruity, sweet, and floral notes. Furthermore, the peel of the ‘Yanfu 6’ cultivar from Aksu exhibited distinctive rosy and woody notes, while its pulp possessed a pineapple-like aroma. KEGG pathway enrichment analysis demonstrated that amino acid metabolism, fatty acid metabolism, and phenylalanine metabolism are interconnected. This study provides valuable insights for systematically understanding the formation of characteristic aromas in Fuji apples from the Xinjiang region

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Food Chemistry-X · 2026 · IF 9.2

Metabolomic fingerprint of volatile and non-volatile compounds of Ganoderma vinegar, Astragalus vinegar, and Winter jujube vinegar based on integrated HS-SPME/GC-MS and UPLC-MS/MS technologies

Hongrui Lv,Shang Guo,Min Zhu,Fang Gao

Vinegar is a traditional fermented flavouring, which has been a commercial product for thousands of years. Ganoderma vinegar (GV), Astragalus vinegar (AV), and Winter jujube vinegar (WV) are new functional health vinegars. The study aimed to recognize and compare the volatile compounds (VOCs) and non-volatile compounds (NVCs) in these vinegars based on metabolomic fingerprint. A total of 2417 differentially accumulated metabolites were screened out, which were classified as 8 clustering patterns using K-means method. The relative contents of 1076, 884, 457 metabolites were highest in GV, AV, WV, respectively, indicating GV dominating the comparative profile. Most VOCs were correlated with sweet, followed by fruity, green, woody, floral, herbal, waxy, fresh, spicy, balsamic, nutty, apple. The characteristics of NVCs exhibited that GV was dominant, followed by AV and WV. The study provided reference for investigation of authenticity, quality and origin of vinegars, and contributed to medical treatment of vinegar.

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INDUSTRIAL CROPS AND PRODUCTS · 2022 · IF 6.449

Accurate identification and quantification of ultra-multi-target flavours in essential oils through a combination of retention index distribution-based parallel dual-column GC-MS/MS and analyte protectants

Lining Pan,Yaqiong Qin,Mantang Chen,Huimin Liu,Shaofeng Liu,Xuehui Sun,Xiaoyu Wang,Li Chen,Fuwei Xie,Huapeng Cui,Tao Wang,Ruihong Liu,Peijian Sun

Comprehensively characterising the flavour composition of essential oils (EOs) is critical due to its wide application in food , cosmetics and medicine industries. The present research aims to obtain accurate identification and quantification of 592 flavours in EOs from different plant sources using parallel dual-column gas chromatography-tandem mass spectrometry (GC-MS/MS). A strategy based on retention index distribution was introduced to simplify the optimisation process of separation distribution on the dual columns and elution distribution within the analysis process for analytes. Each analyte was identified as a unique and resolved peak through the complementary separation capacity of dual columns and the specific monitoring ability of the MS/MS transitions. To improve the accuracy of quantitative analysis, a combination of 1,2-octanediol, 1,2-nonanediol, 1,2-tetradecanediol, and phytantriol was used as analyte protectants (APs) for matrix effect compensation. The addition of APs effectively eliminated the differences in the peak response of the same analyte in pure solvent and EO samples from different plant sources. The proposed method demonstrated good linearity with correlation coefficient values above 0.999 for 72.5% analytes, high sensitivity with limit of quantifications below 10 ng/mL for 77.7% analytes, good accuracy with recoveries between 80% and 120% for 97.3% analytes, and high repeatability with relative standard deviations between 0.1% and 10.0% for 96.6% analytes at all three spiked levels. Compared to GC/MS in analysis of marigold, lavender , and fennel oils, this parallel dual-column GC-MS/MS method is a much more reliable and powerful tool for accurately identifying and quantifying ultra-multi-target flavours in EOs, which is critical for fully characterising their flavour composition, precisely controlling the quality of EO materials and further developing a new flavouring technology.

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