FOOD CHEMISTRY
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2025
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IF 9.8
Yingying Zhang,Yuan Wang,Huan Liu,Dasheng Xu,Dengyong Liu
A method based on headspace solid-phase microextraction fiber derivatization (HS-SPME-FD) coupled with gas chromatography-triple quadrupole mass spectrometry (GC-TQ/MS) was developed to quantify 18 flavor-related carbonyl compounds in roasted lamb. Optimization of derivatization conditions established the following optimal parameters: a 3 g/L concentration of O-2,3,4,5,6-(pentafluorobenzyl)hydroxylamine hydrochloride (PFBHA), fiber loading at 50 °C for 5 min, followed by simultaneous extraction/derivatization at 50 °C for 30 min. The method was validated for linearity, limits of detection (LOD), limits of quantification (LOQ), precision, and accuracy. Results confirmed the method's suitability for determining carbonyl compounds in roasted lamb. During roasting, the composition and concentration of carbonyl compounds increased significantly, with hexanal being the most abundant. Additionally, the method detected carbonyl compounds in the model system at levels comparable to real roasted lamb, validating both the model's accuracy and the method's quantitative precision.
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Food Chemistry-X
·
2024
·
IF 6.5
Bing Zhang,Siman Zheng,Mingquan Huang,Qiang Wu,Wei Dong,Jihong Wu,Hongqin Liu,Dongrui Zhao,Yougui Yu,Jinchen Li
The volatile compounds in 16 different storage containers and years of Xiangjiao Baijiu (XJBJ) were compared and analyzed via direct injection (DI) combined with gas chromatography–mass spectrometry (GC–MS) and headspace extraction (HS) coupled with gas chromatography-ion mobility spectrometry (HS-GC-IMS) for the first time. Through HS-GC-IMS analysis, it was found that the succession rules of 14 compounds such as furfural during aging process. A total of 60 compounds were identified using DI-GC–MS. Twenty-five of these compounds were further quantified, and 19 compounds had odor activity values (OAVs) > 1, which were important contributor to aroma of XJBJ. Among them, those with OAVs >1000 included ethyl hexanoate, ethyl octanoate, ethyl butanoate, and ethyl pentanoate. Combining the results of quantitative, OAVs and partial least squares-discriminant analysis (PLS-DA) revealed that 10 compounds such as ethyl octanoate were the important compounds that lead to the differences between different storage types of XJBJ.
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MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Wenhui Lu,Liangliang Zhang,Zixuan Nie,Xian Wu
Fire investigation plays a crucial role in determining the origin and cause of fire incidents, thereby influencing subsequent criminal liability assessments. The collection and analysis of trace evidence play a significant role in evidence confirmation, case reconstruction, and advancing forensic science for solving fire-related cases. On-site combustion residues present significant challenges due to their complex sources, minute quantities, and compromised integrity, complicating trace evidence retrieval in public security operations. Combustion-derived odor traces offer potential sources for volatile-based evidence analysis. This study utilized Headspace Gas Chromatography-Ion Mobility Spectrometry (HS-GC-IMS) to comprehensively profile volatile organic compounds (VOCs) in paper-based combustion residues. Tree-based machine learning algorithms were integrated to identify key VOC markers, enabling rapid source apportionment of multi-category and low-concentration volatiles. A total of 51 different types of volatiles were qualitatively identified, along with the visualization of topological distribution and fingerprint. The Categorical Boosting (CatBoost) model was identified as optimal, achieving high accuracy (96.67 %), precision (96.51 %), recall (97.22 %), F1-score (96.72 %), and an AUC value of 100 %. The SHapley Additive exPlanations (SHAP) framework was applied to interpret feature importance, enhancing model credibility and operational transparency. This study has demonstrated that integrating interpretable machine learning with HS-GC-IMS strategies can elucidate complex relationships between diverse on-site combustion residue sources and their characteristic VOC profiles. These findings are expected to provide a scientific foundation for fire case investigations, compensation claims, and liability assessments.
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Food Chemistry-X
·
2024
·
IF 6.5
Xiaoqing Miao,Shuang Li,Yang Liu,Jing Li,Xiuping Dong,Ming Du,Pengfei Jiang
To improve the ease of eating sea cucumbers, we investigated the impact of puffing temperature (190 °C - 250 °C) and time (1–5 min) on their quality and flavor. As temperature and time increased, sea cucumber puffing significantly enhanced. The microstructure of the puffed sea cucumber exhibited a uniform porous structure at 230 °C for 4 min. However, further puffing treatment caused the void to collapse. A total of 81 volatile organic compounds (VOCs) were identified using HS-GC-IMS, and 18 VOCs with Relative odor activity value (ROAV) ≥1 were identified. The content of fishy compounds, such as dimethyl sulfide, 1-octanal, and 1-nonanal in sea cucumbers gradually decreased with increasing temperature and time. Combined with GC–MS analysis indicating that the flavor of sea cucumbers puffed at 250 °C for 5 min was superior. Our findings suggest new avenues for sea cucumber processing and address the limited research on puffing techniques for protein-based raw materials.
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Frontiers in Nutrition
·
2026
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IF 5.5
Ze Zheng,Dongxue Qi,Xiaolei Tang,Jianan Qi,Yiwei Zhao,Yingqian Li,Zhen Dong,ZiYing Gao,Di Zou,Bin Qi,Li Liu
Background Huangjiu has diverse flavor characteristics across four official sweetness classifications, and complementary analytical measurements can provide a more detailed comparison of volatile profiles among commercial products. Methods Commercial Huangjiu samples representing dry, semi-dry, semi-sweet, and sweet types from the same manufacturer were characterized using an electronic nose, HS-SPME-GC-MS, and GC-IMS. Results E-nose responses indicated differences in response patterns among the four commercial products. HS-SPME-GC-MS tentatively identified 56 volatile compounds, while GC-IMS tentatively identified 54 volatile compounds, excluding the internal standard. The two platforms were complementary: GC-MS provided broader compound coverage, while GC-IMS showed enhanced sensitivity toward low-molecular-weight volatile compounds. Comparative analysis revealed differences in volatile composition and identified differential volatile compounds associated with sample separation in the fitted models. Conclusion These findings provide a comparative chemical basis for understanding the quality characteristics of commercial Huangjiu with different sweetness classifications and demonstrate the value of integrating complementary analytical techniques for fermented food characterization and quality evaluation.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2026
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IF 2.4
Xinjun Zhou,Jing Jiang,Xiaopeng Chen,Chenghong Wu,Linlin Wang,Xiaojie Wei,Liyuan Tan,Jiezhen Liang
Isothermal vapor–liquid equilibrium data were measured for the binary systems related to α-pinene + myrcene, α-pinene + β-caryophyllene, and myrcene + β-caryophyllene using static headspace gas chromatography at 313.2, 323.2, and 333.2 K. The experimental data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) models to obtain the binary interaction parameters. The small deviations demonstrated great agreement between the models and the experimental data. Moreover, the NRTL model showed marginally superior predictive accuracy in data association compared with the UNIQUAC model. The three binary systems exhibited simple phase behaviors with no azeotrope formation. In addition, the molecular surface charge profile and the binary energies of these systems were used to validate the strength of the σ-profile and to elucidate the role of intermolecular interactions in vapor–liquid equilibrium.
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2021
·Vol. 413
·期 23
·5789-5798
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IF 4.157
Zheng Chengyu,Zhou Qinan,Wang Zhenhe,Wang Jun
In recent years, the invasive cypress bark beetle ( Phloeosinus aubei ) has caused extensive damage to Platycladus orientalis plants in China, but its infestation is hard to monitor in the early stages. In this study, gas chromatography-mass spectrometry (GC-MS) was initially employed to investigate the volatile organic compound (VOC) emissions of P. aubei- infested P. orientalis saplings. The emissions of total sesquiterpenes were dominating (84−86% of total VOCs) and increased by 3.09-fold in P. aubei- damaged P. orientalis samples compared to undamaged samples, and the monoterpenes, aromatic compounds, and ketone emissions also had varying degrees of increase between 1.39-fold and 5.65-fold. Based on this variation, gas chromatography-ion mobility spectrometry (GC-IMS) was applied, as an untargeted analytical approach, to discriminate P. orientalis samples with different invasive severity. Two different features derived from GC-IMS data were adopted as the input information for classification and prediction models. Results showed that grid search support vector machine (GS-SVM) combined with multilinear principal component analysis (MPCA) based on spectral fingerprint achieved the best classification performances (> 88.98%), and partial least squares discriminant analysis (PLSR) method can accurately predict the pest numbers ( R 2 > 0.9423 and RMSE < 0.9827). In a word, the VOC profiling-based approach had the potential for evaluating P. aubei invasive severity and pest management.
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International Journal of Gastronomy and Food Science
·
2025
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IF 3.6
Huiying Wu,Wensheng Yao,Shuangyu Ma,Dengyong Liu,Mingcheng Zhang
In this study, the evolution of key flavor compounds in sonit sheep lamb during grilling process has been studied by the E-nose, E-tongue, HS-GC-IMS technique and physicochemical methods. The results showed that the moisture content in lamb decreased, protein content increased due to water loss, fat content reduced due to thermal degradation during the grilling process. The pH showed an initial rapid decrease with significant differences at various grilling times (P < 0.05). The E-nose and E-tongue were found effective in distinguishing lamb samples during grilling duration. A total of 83 volatiles were identified by HS-GC-IMS. Among them, 29 flavor compounds with VIP > 1 were identified as the key flavor substances using the OPLS-DA model. Ethyl acrylate was the main characteristic flavor compounds in raw Sonit Sheep lamb, while ethanol and 1-butanol were determined as the key flavor compounds at 3 and 6 min. Ethylpyrazine, (E)-2-octenal, and nonanal are key substances at 9 min grilling. When grilled for 12 min, the flavor compounds such as 2-methylpropanal, ethyl ethanoate, and trimethylpyrazine became the most important flavor compound in the grilled lamb.
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2024
·
IF 4
Wang He,Zixuan Liu,Haoyue Liu,Jie Sun,Haitao Chen,Baoguo Sun
The flavor of three types dried sausage from Guangdong, Sichuan and Harbin were studied by headspace solid-phase microextraction (HS-SPME) and solvent-assisted flavor evaporation (SAFE) combined with gas chromatography-mass spectrometry (GC-MS), sensory evaluation combined with principal component analysis. The results showed that Harbin dried sausage had more prominent spicy flavor attributes, and the varieties and contents of flavor substances were more abundant. Then Harbin dried sausage was selected for further analysis. The flavor dilution factor of 37 aroma components was obtained by gas chromatography-olfactometry-mass spectrometry and aroma extract dilution analysis. 30 compounds were quantitated, and their odor activity values were calculated. The key aroma components were validated by using recombination and omission experiments. The omission experiment of 27 aroma compounds was carried out, and 10 compounds were finally determined as the key aroma active substance. The key aroma components of Harbin dried sausage included hexanoic acid, acetic acid, isovaleric acid, butyric acid , nonanal, acetoin, hydroxyacetone, ethyl hexanoate, eugenol, and p -cresol.
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FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xueli Chen,Haoyue Liu,Cong Li,Yujuan Xu,Baocai Xu
To clarify the characteristic aroma compounds and flavor discrepancies of five Chinese typical pig species, headspace-solid phase microextraction gas chromatography–olfactometry-mass spectrometry (HS-SPME/GC-O-MS), electronic nose (E-nose), aroma recombination and omission experiments were used to analyze the characteristic aroma and boundary of five boiled pork. A total of 38 volatile compounds were identified, of which 14 were identified as important odorants with odor-activity values (OAVs) greater than 1. Aroma recombination and omission experiments revealed 8 key characteristic aroma compounds, which significantly contributed to the overall aroma. Sensory evaluation of the recombination model with the 8 aroma compounds scored 3.0 to 4.0 out of 5 points. 12 potential markers were identified to distinguish by principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), including (E)-2-octenal, 3-ethyl-2-methyl-1,3-hexadiene, (E)-2-heptenal, 2-pentylfuran, cyclooctanol, 1-heptanol, sec -butylamine, D-limonene, N-vinylformamide, 2,3-octanedione, 2-ethylfuran and 3-pentanamine. Alongside benzaldehyde and pentanal, the combinations and fluctuations of these 14 aroma markers were proposed to constitute the aroma boundaries of different pork breeds. The aroma-active substances were able to effectively differentiate different breeds.
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Food Chemistry-X
·
2025
·
IF 8.2
Di Zhou,Xin-yu Liu,Miao-qin Xie,Hao-jie Xu,Huai-hui Yi,Da-xiang Li,Ru-yan Hou,Hui-mei Cai,Xiao-chun Wan,Daniel Granato,Chuan-yi Peng
Tanyang Congou black tea, renowned for its distinctive floral and fruity aroma, is meticulously produced using the shaking technique. However, the specific aroma profile and the key odor-active compounds responsible for this characteristic fragrance have not been fully elucidated. This study integrated sensory evaluation with molecular sensory science approaches to identify and characterize the principal odorants contributing to the tea's aroma. Sensory analysis confirmed that the prepared black tea exhibited typical high-quality attributes, with a prominent floral and fruity aroma markedly reduced in lower-grade samples. A total of 70 volatile compounds were detected, among which 29 key aroma-active compounds were identified across all three quality grades using aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry-mass spectrometry (GC-O-MS). Of these, 16 volatiles exhibited high flavor dilution (FD) factors (≥8), and 11 compounds showed relative odor activity values (ROAV) greater than 1. Notably, seven compounds—( E )- β -ionone, (E)-nerolidol, geraniol, citral, linalool, hexanal, and phenylacetaldehyde—were identified as the primary contributors to the characteristic floral-fruity aroma of Tanyang Congou black tea. These findings provide comprehensive insight into the aroma profile of Tanyang Congou black tea, offering a scientific basis for quality assessment and targeted aroma modulation in tea production.
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LWT-FOOD SCIENCE AND TECHNOLOGY
·
2020
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IF 4.006
Shuang Gu,Wei Chen,Zhenhe Wang,Jun Wang,Yujia Huo
This study described the rapid detection of milled rice infected with Aspergillus spp. species based on headspace-gas chromatography ion-mobility spectrometry (HS-GC-IMS) and electronic nose (E-nose) combined with chemometrics, namely principal component analysis (PCA), k-nearest neighbor (kNN) and partial least squares regression (PLSR). 3D HS-GC-IMS imaging and their response differences enabled the discrimination among fungal species. kNN was used to differentiate rice samples with cdifferent levels of fungal infection and achieved correct classified rate of 94.44% and 91.67% by HS-GC-IMS and E-nose, respectively. PLSR method was used for quantitative regression of fungal colony counts in rice samples and good prediction performances were achieved by HS-GC-IMS (R p 2 = 0.909, RMSEP = 0.202) and E-nose (R p 2 = 0.864, RMSEP = 0.235). The results indicated that both HS-GC-IMS and E-nose approaches can potentially be implemented for the detection of fungal contamination levels in milled rice, and HS-GC-IMS fingerprinting coupled with chemometrics might be used as an alternative tool for a highly sensitive method. This research might provide scientific information on the rapid, non-destructive, and effective fungal detection system for rice grains .
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