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FOOD RESEARCH INTERNATIONAL · 2026 · IF 8.8

Effects of different roasting temperatures on the flavor characteristics of shelled macadamia kernels: Analysis based on HS-GC-IMS and HS-SPME-GC–MS

Xueping Zhang,Xinxin Yu,Rongsuo Hu,Jiyue Zhang,Wenjiang Dong

This study aimed to evaluate the effect of roasting temperature on the flavor characteristics of shelled macadamia kernels (SMKs) employing quantitative descriptive sensory analysis, color analysis, and two volatile compound profiling techniques, namely headspace-solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC–MS) and headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). Sensory and color analyses showed that roasting at 140 °C yielded a desirable roasted macadamia product, exhibiting a rich balsam flavor, creamy aroma, and uniform, harmonious faint yellow color. HS-SPME-GC–MS and HS-GC-IMS identified 107 volatile organic compounds (VOCs). Aldehydes, pyrazines, and furans increased with increasing roasting temperature, and these compounds were key contributors to the nutty aroma. Lipid oxidation dominated flavor formation during low-temperature roasting, while Strecker degradation prevailed at high temperatures. Among the VOCs, 23 with relative odor activity values (ROAV) of ≥1 contributed significantly to the overall aroma of roasted SMK. Furthermore, HS-SPME-GC–MS and HS-GC-IMS identified 10 and 16 key VOCs, respectively, including 2-methylpyrazine, 2,5-dimethylpyrazine, 2-ethylpyrazine, nonanal, and propanal. Interestingly, ethanol content showed a significant negative correlation ( p  < 0.05) with “bitter,” and “burnt”, as well as with a*, b*, and c, whereas most pyrazine compounds exhibited positive correlations with these sensory attributes ( p  < 0.05). Altogether, the findings of this study present roasting as an effective approach for enhancing macadamia nut aroma and provide valuable insights for flavor control in nut products.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

A systematic comparative analysis of ginger-related varieties from three dimensions based on HS-SPME-GC-Q-TOF MS and UHPLC-LTQ-Orbitrap MS

Huan-ya Yang,Lin Yang,Yu-lu Wang,Yun-shu Hu,Yun Li,Hua Qu,Wen-long Wei,Hui-yan Yang,Qi-rui Bi,Jian-qing Zhang,De-an Guo

Ginger is extensively utilized in culinary and traditional medicine worldwide. This study presents a comparative analysis on ginger-related varieties from different species, growth stages, processing methods and geographical origins using headspace solid-phase microextraction gas chromatography quadrupole time-of-flight mass spectrometry (HS-SPME-GC-Q-TOF MS) and ultra-high performance liquid chromatography linear-ion-trap-quadrupole orbitrap MS (UHPLC-LTQ-Orbitrap MS). A total of 120 volatiles and 377 non-volatiles were annotated. Metabolomics revealed 44 differential components to discriminate six Zingiberaceae species. Among them, ginger contained the highest levels of chemical components. Additionally, 44 components were found to completely distinguish two growth stages and four processing forms of ginger. As ginger matures, changes in volatiles become more pronounced, while significant differences in non-volatiles were observed across processing stages. Moreover, ginger from three regions was compared, and ginger from Western was found to have more abundant non-volatiles and a higher qualification rate (Yunnan 100 % vs. Fujian 33 %, Henan 15 %). This study maps the chemical profile of ginger and related varieties, providing insights for development of novel products and informing decisions in cultivation, production, and purchasing.

CAS / MDL: 64-18-6
研究领域: 植物化学 · 食品科学 · 药用植物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2025 · IF 8.2

Effects of different roasting temperatures on the flavor characteristics of jujube wine: Analysis based on HPLC, HS-GC-IMS, and HS-SPME-GC–MS

Binbin Li,Qian Mu,Huijing Guo,Wenting Jia,Mengzhen Zhang,Ya Liu,Xinwen Jin

The effects of jujube pretreatment at different roasting temperatures (80–160 °C) on the dynamic changes in free amino acids and volatile organic compounds in jujube wine were evaluated using HPLC, HS-GC-IMS, HS-SPME-GC–MS, and sensory analysis. The results revealed that roasting at 80–100 °C enhanced the accumulation of sweet amino acids in jujube wine, whereas roasting at 140–160 °C increased the bitter amino acid content. As the roasting temperature increased, the contents of esters, alcohols, acids, aldehydes, and ketones in jujube wine rose initially before declining thereafter. Meanwhile, the furan compound content exhibited a continuous increase. Through multivariate statistical analyses, including orthogonal partial least squares-discriminant analysis (OPLS-DA), relative odor activity value (ROAV) calculations, and variable importance in projection (VIP), six key characteristic flavor compounds were identified. These included isoamyl acetate, ethyl hexanoate, and ethyl octanoate. The novel insights derived from this study could guide the improvement of jujube wine flavor.

CAS / MDL: 123-96-6
研究领域: 食品科学 · 分析化学 · 风味化学 · 酿酒学 · 农产品加工
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2025 · IF 8.2

Insights into VOCs variation derived from Chinese black truffles (Tuber indicum) between grades via E-nose, HS-SPME-GC-MS, and HS-GC-IMS

Yiye Luo,Lusi Ouyang,Shuo Zhang,Yusheng Wang,Pingzhang Yao,Yin Liu,Xiaoyu Chen,Lin Yuan,Zhiyong Wu

This study investigated volatile organic compound (VOC) variations across commercial grades (G1, G2, G3) of Chinese black truffles ( Tuber indicum ) using electronic nose ( E -nose), headspace solid-phase microextraction gas chromatography–mass spectrometry (HS-SPM E -GC–MS), and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). E-nose analysis revealed significant differences in sulfur-containing and terpenic compounds between grades. HS-SPME-GC–MS identified 95 VOCs, with G1 exhibiting the highest diversity (75 compounds) and unique markers like 2-butanone. Orthogonal partial least squares-discriminant analysis (OPLS-DA) highlighted 86 discriminatory VOCs (VIP > 1). Odor activity value (OAV) analysis showed G1 had the strongest aroma intensity, driven by esters (ethyl isobutyrate, OAV = 6574) and alcohols (1-octen-3-ol, OAV = 3444). Higher-grade truffles (G1) contained distinct sulfur compounds absent in lower grades. This multi-technique approach provides a biochemical basis for refining truffle grading standards beyond morphological criteria.

研究领域: 食品科学 · 分析化学 · 食品化学 · 真菌学 · 挥发性有机物分析 · 感官分析 · 化学计量学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2020 ·Vol. 9 ·期 4 ·505 · IF 4.092

Volatile Organic Compounds Profiles to Determine Authenticity of Sweet Orange Juice Using Head Space Gas Chromatography Coupled with Multivariate Analysis

Qi Zhou,Guijie Li,Zhu Ou-Yang,Xin Yi,Linhua Huang,Hua Wang

An efficient and practical method for identifying mandarin juice over-blended into not from concentrate (NFC) orange juice was established. Juices were extracted from different cultivars of sweet orange and mandarin fruits. After being pasteurized, the volatile organic compounds (VOCs) in the juice samples were extracted using headspace solid-phase microextraction, and qualitatively and quantitatively analyzed using gas chromatography–mass spectrometry detection. Thirty-two VOCs contained in both the sweet orange juice and mandarin juice were used as variables, and the identification model for discriminating between the two varieties of juice was established by principal component analysis. Validation was applied by using common mandarin juices from Ponkan, Satsuma and Nanfengmiju cultivars blended at series of proportions into orange juices from Long-leaf, Olinda, and Hamlin cultivars. The model can visually identify a blending of mandarin juice at the volume fraction of 10% or above.Keywords:mandarin juice;not from concentrate (NFC);principal component analysis (PCA);headspace solid-phase microextraction (HS-SPME)

CAS / MDL: 108-94-1
研究领域: 食品科学 · 分析化学 · 农业化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Evaluation of the effect of Torulaspora delbrueckii on important volatile compounds in navel orange original brandy using E–nose combined with HS–SPME–GC–MS

Jingjing Liu,Yin Wan,Yanru Chen,Haowei Fan,Mengxiang Li,Qihai Jiang,Guiming Fu

Simultaneous inoculation of non- Saccharomyces cerevisiae during the alcoholic fermentation process has been found to be an effective strategy for enhancing wine flavor. This study aimed to investigate the effect of Torulaspora delbrueckii NCUF305.2 on the flavor of navel orange original brandy (NOOB) using E–nose combined with HS–SPME–GC–MS. The results showed a significant increase ( p  < 0.05) in the sensitivity of NOOB to W5C, W3C, W1S, and W3S sensors by mixed fermentation (MF). Esters in NOOB increased by 4.13%, while higher alcohols increased by 21.93% ( p  < 0.001), terpenes and others increased by 52.07% and 40.99% ( p  < 0.01), respectively. Notably, several important volatile compounds with relative odor activity values above 10 showed an increase. Sensory analysis revealed that a more pronounced citrus-like flavor and higher overall appearance scores were found in MF than in pure fermentation (PF). These findings offer valuable theoretical guidance for enhancing the quality of fruit brandies.

CAS / MDL: 108-11-2
研究领域: 食品科学 · 微生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Foods · 2025 ·Vol. 14 ·期 22 ·3946 · IF 5.1

Comparative Analysis of Volatile Organic Compounds in Freshwater-Cultured and Saline–Alkaline Selectively Bred Tilapia Using Electronic Nose, GC-IMS, and HS-SPME-GC-MS

Zhi Wang,Yi Yang,Dongxue Zhang,Jiashu Li,Longsheng Zhang,Yan Zhao,Jinliang Zhao,Junling Zhang,Jikui Wu

Tilapia is a cornerstone species in global aquaculture, yet the impact of saline-alkaline adaptive breeding on its flavor-related volatile organic compounds (VOCs) remains unclear. Herein, we compared VOCs in freshwater-cultured tilapia (FW) and 7th-generation tilapia subjected to long-term selective breeding for saline-alkaline tolerance (SAWG7) using an electronic nose (E-nose), gas chromatography-ion mobility spectrometry (GC-IMS), and headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS). The aim was to identify flavor differentiation and assess the effect of saline-alkaline acclimation. E-nose analysis revealed distinct odor profiles, with SAWG7showing higher sensor responses for aldehydes, ketones, and alcohols. GC-IMS detected 32 VOCs, highlighting significant increases in alcohols, aldehydes, and heterocyclics in SAWG7. GC-MS identified 43 VOCs, with orthogonal partial least-squares discriminant analysis (OPLS-DA) confirming 18 discriminant compounds, including elevated ketones (2-undecanone), aldehydes ((E)-2-octenal), alcohols (2,7-Octadien-1-ol), and furans (2-ethyl-Furan) in SAWG7, linked to lipid oxidation under saline-alkaline stress. These findings demonstrate that long-term saline-alkaline breeding achieves a potentially more diverse VOC profile in tilapia by altering its volatile profiles. The study provides insights for optimizing aquaculture practices to improve product quality in marginal environments.

研究领域: 水产养殖 · 食品化学 · 分析化学 · 风味科学 · 环境胁迫生理学
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MOLECULES · 2022 ·Vol. 27 ·期 14 ·4393 · IF 4.927

Discrimination and Characterization of the Volatile Organic Compounds in Schizonepetae Spica from Six Regions of China Using HS-GC-IMS and HS-SPME-GC-MS

Chao Li,Huiying Wan,Xinlong Wu,Jiaxin Yin,Limin Zhu,Hanjiang Chen,Xinbo Song,Lifeng Han,Wenzhi Yang,Heshui Yu,Zheng Li

Volatile organic compounds (VOCs) are the main chemical components ofSchizonepetae Spica(SS), which have positive effects on the quality evaluation of SS. In this study, HS-SPME-GC-MS (headspace solid-phase microextraction-gas chromatography-mass spectrometry) and HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) were performed to characterize the VOCs of SS from six different regions. A total of 82 VOCs were identified. In addition, this work compared the suitability of two instruments to distinguish SS from different habitats. The regional classification using orthogonal partial least squares discriminant analysis (OPLS-DA) shows that the HS-GC-IMS method can classify samples better than the HS-SPME-GC-MS. This study provided a reference method for identification of the SS from different origins.Keywords:volatile organic compounds;Schizonepetae Spica;HS-SPME-GC-MS;HS-GC-IMS;OPLS-DA

CAS / MDL: 5989-54-8 591-24-2
研究领域: 药学化学 · 分析化学 · 中药学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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MOLECULES · 2024 ·Vol. 29 ·期 5 ·1142 · IF 4.2

Comparison of Flavonoid Content, Antioxidant Potential, Acetylcholinesterase Inhibition Activity and Volatile Components Based on HS-SPME-GC-MS of Different Parts from Matteuccia struthiopteris (L.) Todaro

Xin Wang,Jiatao Guo,Siqi Zang,Baodong Liu,Yuhuan Wu

Matteuccia struthiopterisis one of the most globally consumed edible ferns and widely used in folk medicine. Reports mainly focus on young fronds and the rhizome which are common edible medicinal parts. However, there are few detailed reports on other parts. Therefore, the volatile components of different parts based on HS-SPME-GC-MS were identified, and total flavonoid contents, antioxidant activities and acetylcholinesterase inhibitory activities were compared in order to reveal the difference of volatile components and potential medicinal value of different parts. The results showed that total flavonoid contents, antioxidant activities and volatile components of different parts were obviously different. The crozier exhibited the strongest antioxidant activities, but only underground parts exhibited a dose-dependent inhibition potential against AChE. Common volatile compounds were furfural and 2-furancarboxaldehyde, 5-methyl-. In addition, it was found that some volatile components from adventitious root, trophophyll, sporophyll and petiole were important ingredients in food, cosmetics, industrial manufacturing and pharmaceutical applications.

研究领域: 药理学 · 植物学 · 分析化学 · 药用植物
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

Molecular sensory basis of the unique “cocoa aroma” in white tea: An integrated study combining HS-SPME-GC–MS, GC-O, molecular docking, and addition tests

Zhiqiang Zheng,Weiwei Wu,Zhihui Wang,Peng Zhang,Bangxing Ma,Yan Huang,Weijiang Sun

Cocoa aroma is a pleasant and highly market-accepted aroma type in white tea, yet its underlying key aroma components remain unclear. In this study, sensory quantitative descriptive analysis (QDA), gas chromatography–mass spectrometry (GC–MS), gas chromatography-olfactometry (GC-O), molecular docking , and aroma addition tests were employed to elucidate the aroma characteristics and aroma profile of cocoa aroma white tea (CCWT), traditional white tea (WT) and cocoa beans (CC), and then construct a comprehensive aroma flavor wheel. It was observed that CCWT consists of a composite aroma dominated by Cocoa aroma, accompanied by flowery, sweet, and herbal aroma. Ten compounds were identified as key aroma constituents in CCWT, including linalool , nerol , and β-ionone. Notably, isovaleraldehyde , 2-methylbutyraldehyde, and phenylacetaldehyde were identified as the primary aroma components contributing to the cocoa aroma. Molecular docking results revealed that 3 key aroma components generate cocoa aroma through hydrogen bonding and hydrophobic interactions with olfactory receptors , with binding energies of less than −4 kcal/mol. The addition tests indicated that isovaleraldehyde and 2-methylbutyraldehyde primarily contribute to the cocoa aroma in CCWT, while phenylacetaldehyde likely enhances this aroma through synergistic effects with other compounds. This research provides essential scientific support for enhancing white tea quality and guiding product development. A solid foundation has been established to facilitate sustainable growth of the broader tea industry.

研究领域: 食品科学 · 感官科学 · 分析化学 · 分子生物学 · 茶叶化学 · 香气化学
✓ 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

Fabrication of a Robust Phenothiazine Hyper-crosslinked Polymer Coated Fiber for the Determination of Short-Chain Fatty Acids in Rat Faeces by HS-SPME/GC-FID

Chenqing Zhang,Juan Zhang,Zhiyu Zhang,Jing Yan,Zhuoyue Hou,Shusheng Zhang,Kai Hu

Short-chain fatty acids (SCFAs) are key biomarkers of gut microbiota activity and are implicated in various metabolic, inflammatory, and neurological diseases. This study fabricated a phenothiazine-based hyper-crosslinked polymer (PTZ-HCP) and applied it as a solid-phase microextraction (SPME) fiber coating for the analysis of nine SCFAs in rat feces by gas chromatography with flame ionization detection (GC-FID). The prepared PTZ-HCP was characterized by scanning electron microscopy, X-ray photoelectron spectroscopy, N 2 adsorption-desorption measurements, and thermogravimetric analysis. These analyses confirmed its successful synthesis and revealed a porous structure, high specific surface area, and excellent thermal stability. Owing to these structural advantages and the capability for multiple functional groups, the PTZ-HCP coatings demonstrated outstanding extraction efficiency and high adsorption capacity for SCFAs. An SPME/GC-FID method using PTZ-HCP coated fibers were established and validated. The validation results demonstrated significant advantages, including a wide linear range (1.0 × 10 -3 -0.50 μg·mL -1 for 2-methylvaleric acid; 1.0 × 10 -3 -2.0 μg·mL -1 for 4-methylvaleric acid), low LODs (3.0 × 10 -4 μg·mL -1 for 2-methylvaleric acid and 4-methylvaleric acid), and good precision (≤ 9.5%). This work presents a novel SPME coating material that effectively addresses key challenges in the extraction and analysis of SCFAs in rat fecal samples. Moreover, it verifies that Coptis chinensis modulates gut microbiota by altering SCFA levels, thereby offering important insights for research on the pathological mechanisms and treatment of Parkinson’s disease.

✓ 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

Comparison and discrimination of the terpenoids in 48 species of huajiao according to variety and geographical origin by E-nose coupled with HS-SPME-GC-MS

Yuanyuan Shao,Xiaoqiong Liu,Zhuoya Zhang,Pengxiang Wang,Kaikai Li,Chunmei Li

The unique flavor and aroma characteristics of huajiao were not only influenced by cultivated varieties, maturity, but also geographic origin. This study compared the terpenoids of 48 species of huajiao using headspace solid-phase microextraction–gas chromatography-mass spectrometry (HS-SPME-GC–MS) and electronic nose (E-nose). The E-nose results showed differences in huajiao from different origins and varieties, and from the PCA loading plots it was possible to conclude that some samples contained higher levels of hydrocarbons and alcohols, providing a preliminary discrimination between different species of huajiao. Further, GC-MS results showed that six key biomarkers could be used to distinguish red and green huajiao. Red huajiao in Central China contained more terpenoids than in other regions. Nine key biomarkers could be used to distinguish red huajiao from different regions. Oil huajiao exhibited a more distinct aroma in red huajiao. Green huajiao from Yunnan Province had more terpenoids than that from other provinces. The terpenoids content of Yunnan zhuyeqing was higher than other green huajiao. Heatmap analysis helped to find the most contributors of huajiao, which could be used as key terpenoids to differentiate huajiao of different regions or cultivars. Finally, through the correlation analysis of E-nose and GC-MS, it was found that the E-nose sensors could distinguish different huajiao by specific responses to some terpenoids in the samples.

CAS / MDL: 124-18-5
研究领域: 植物学 · 食品科学 · 分析化学
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