JOURNAL OF CHEMICAL THERMODYNAMICS
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2025
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IF 2.2
Xianming Zhang,Yanping Li,Yongli Wu,Yunfei Wang,Panpan Yan,Zhilei Zheng,Hongyu Peng,Yuexin Chu
Liquid–liquid equilibrium (LLE) for the binary systems of 1-octene +1-ethyl-3-methylimidazolium acetate ([EMIM][Ac]), 1-octene +1-butyl-3-methylimidazolium acetate ([BMIM][Ac]), 1-octene +1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ]), 2-hexanone + [EMIM][Ac], and 2-hexanone + [BMIM][Ac], and the ternary systems of 1-octene +2-hexanone + [EMIM][Ac], 1-octene +2-hexanone + [BMIM][Ac], and 1-octene +2-hexanone + [BMIM][BF 4 ] were measured at 298.15 K, 303.15 K and 313.15 K under 101.3 kPa. The solute distribution coefficient ( D ) and selectivity ( S ) were calculated to investigate the efficiencies of [EMIM][Ac], [BMIM][Ac], and [BMIM][BF 4 ] as solvents. Moreover, the temperature dependencies of D and S were investigated in this study. NRTL and UNIQUAC models were applied to correlate the experimental LLE data.
研究领域:
化学工程
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物理化学
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高影响因子
MICROCHEMICAL JOURNAL
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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
·
2025
·
IF 8.2
Zhigui He,Yan Hu,Yuqing Zhang,Yingying Cui,Yingying Liu,Saeed A. Asiri,Sam Al-Dalali
This study aims to examine the changes in volatile compounds of Lipu taro pork at various cooking stages, including raw pork meat (RP), pre-cooked meat (PM), roasted meat (RM), ultrasonically cured meat (UC), and steamed meat (SM). GC-IMS, fatty acid analysis, electronic tongue, and electronic nose were employed to identify flavor compounds at each processing stage, and the results were analyzed using multivariate statistical methods. Findings showed that the fatty acid content in PM was significantly higher than in pork from other stages, followed by the UC group, while SM had the lowest. GC-IMS detected a total of 60 compounds, including aldehydes, ketones, alcohols, and esters. Significant differences in flavor compound composition were observed across the various processing stages. Using the PLS-DA model, 21 compounds with VIP values above 1.0 were identified, with methyl-5-hepten-2-one (VIP > 1.5) being the most important for differentiation, followed by acetone, 2-pentanone, and ethyl hexanoate-D (VIP > 1.4).
研究领域:
食品科学
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风味化学
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分析化学
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食品加工
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感官分析
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PubMed
高影响因子
Food Chemistry-X
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2025
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IF 8.2
Fangjie Cao,Xinyi Che,Xingyu Liu,Tingmei Yan,Yutong Li,Shu Liu,Yichao Ma,Dandan Ren,Hui Zhou,Qiukuan Wang,Yunhai He,Han Zhang
The fishy odor of salted kelp, mainly derived from halogenated hydrocarbons, sulfur-containing compounds, and free fatty acids, limits its sensory quality and market value. This study evaluated microbial deodorization using six food-grade strains— Pichia kluyveri, Saccharomyces cerevisiae, Wickerhamomyces anomalus, Lactiplantibacillus plantarum, Limosilactobacillus fermentum and Pediococcus pentosaceus —in single and co-fermentation systems. GC-IMS, relative odor activity values, and sensory evaluation identified 1-octen-3-one as the dominant off-odor compound. Fermentation significantly reduced 1-octen-3-one while increasing aroma-active volatiles such as isovaleraldehyde, isopentanol, and isopropyl propionate, likely through enzymatic degradation and microbial biosynthesis. Sensory analysis confirmed improvements in aroma and overall acceptability with minimal changes in color and texture. These findings clarify microbial modulation mechanisms of kelp flavor and support the development of value-added fermented kelp products.
研究领域:
食品科学与技术
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微生物发酵
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风味化学
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分析化学
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感官科学
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PubMed
高影响因子
Foods
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2025
·Vol. 14
·期 23
·4164
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IF 5.1
Lei Yu,Binbin Wang,Ziwei Xu,Kaili Ge,Yihan Yuan,Xiangbin Ding,Xiaoming Men,Keke Qi
Volatile organic compounds (VOCs) are key aroma determinants in pork, and gas chromatography-ion mobility spectrometry (GC-IMS) is an effective technique for their detection. However, the detection conditions for pork using GC-IMS have yet to be standardized. This study employed GC-IMS to investigate the effects of incubation (temperature/duration) and medium (water and different concentrations of NaCl) environments on VOCs in pork. Statistical analyses including t-tests, PLS-DA, and OPLS-DA were employed to assess VOC differences. The results showed that: (1) VOC diversity and intensity increased with incubation temperature and time, with optimal signals obtained at 100 °C for 20 min. (2) The sample medium significantly influenced aroma release. When the medium contained 10% NaCl, the relative content of aldehydes increased, showing that these compounds were optimally released. (3) Under the optimized conditions, 15 key differential VOCs were identified from different muscle tissues, including 10 aldehydes, 2 esters, 1 ketone, 1 alcohol and 1 ether. This work establishes practical GC-IMS parameters for pork VOC analysis and provides a reliable reference for flavor-related studies.
研究领域:
食品科学
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分析化学
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肉类品质
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风味化学
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PubMed
高影响因子
Foods
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2025
·Vol. 14
·期 23
·4054
·
IF 5.1
Jing Yan,Heng Wang,Zhenxia Cao,Bing Yang,Wanli Zhang,Minnan Liu,Fazheng Ren,Lishui Chen
Beiwudu Hulatang, a traditional Chinese culinary delicacy, is valued for its complex flavor profile; however, its characteristic aroma compounds and the determinants of sensory quality remain insufficiently studied. This study evaluated the flavor characteristics of four commercial samples and one laboratory-made sample of Beiwudu Hulatang using gas chromatography–ion mobility spectrometry (GC-IMS), electronic nose (E-nose), electronic tongue (E-tongue), and sensory evaluation. The results of E-tongue analysis indicated that bitterness and saltiness were the dominant taste attributes. E-nose analysis demonstrated strong responses to sulfur-containing compounds, alcohols, and alkanes, indicating their significant contribution to the overall aroma. A total of 60 volatile compounds were identified by GC-IMS, with ethers, alcohols, and terpenes being the most abundant chemical groups. Among these, 13 key aroma compounds were screened as discriminative markers (OAV > 1, VIP > 1) by integrating the odor activity value (OAV) and orthogonal partial least squares-discriminant analysis (OPLS-DA). The Pearson correlation analysis further revealed that sensory attributes, particularly aroma and overall acceptability, were positively correlated with propanal, heptaldehyde, and 1,8-cineol, and negatively correlated with linalool and limonene. Overall, this study provides a systematic characterization of the flavor profile of Beiwudu Hulatang and establishes a scientific basis for its quality standardization and flavor-oriented product development.
研究领域:
食品科学与技术
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风味化学
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感官评价
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分析化学
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传统中式食品
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DOI
PubMed
高影响因子
DRYING TECHNOLOGY
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2025
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IF 2.7
Pengxiao Chen,Mengyang Wang,Xiaoyu Wang,Yankun Wang,Wenxue Zhu,Tingting Zhang,Siyuan Zhao
The purpose of this study was to explore the differences in volatile flavor compounds in peanut pods subjected to different drying methods. Heat pump drying (HPD), infrared drying (ID), combined heat pump-infrared drying (HPD-ID), and vacuum freeze drying (VFD) were employed to dry peanuts in the experiment. Volatile compounds in peanut pods were identified using gas chromatography-ion mobility spectrometry (GC-IMS), and differences of these volatile substances were analyzed by fingerprinting and principal component analysis (PCA). The results showed that the volatile flavor components of peanut pods dried by different methods mainly included 15 aldehydes, 10 alcohols, 7 ketones, 3 esters, 1 pyrazine, 2 acids, 1 ether, and 8 unidentified compounds. Fingerprinting and qualitative analysis indicated that different drying methods led to distinct flavor profiles. Principal component analysis revealed that the cumulative contribution of PC1 and PC2 was 83%, while that of PC1, PC2, and PC3 reached 98%, indicating significant differences among groups. These results demonstrated that GC-IMS could efficiently analyze and distinguish differences in volatile flavor components of peanut pods dried using various methods.
研究领域:
食品科学与技术
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分析化学
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采后加工
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高影响因子
JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY
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2025
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IF 2.4
Hongjie Zhang,Shengyan Zhang,Junyi Ma,Youqiong Liu,Xueli Chen,Weibao Kong,Ji Zhang
This study employed a complementary analytical approach, combining headspace gas chromatography–ion mobility spectrometry (HS-GC-IMS) and headspace gas chromatography–mass spectrometry (HS-GC-MS), to comprehensively characterize the dynamic evolution of volatile organic compounds (VOCs) in virgin olive oil (VOO) from Chenggu 32 (CG-32) and Koroneiki (KK) cultivars across eight maturity indices (MIs). The combined strategy proved powerful: HS-GC-IMS detected 90 VOCs, excelling in profiling polar, aroma-active compounds, while HS-GC-MS confirmed 61 VOCs, providing broader metabolome coverage. Multivariate statistical analysis revealed that genetic cultivar is the primary driver of VOCs profile divergence. The CG-32 variety was characterized by a high abundance of aldehydes, imparting classic “green” notes, whereas the KK variety was dominated by ketones, resulting in a less traditional, intense aroma. Notably, a key finding was that genetic factors can override ripening trends, as evidenced by the late-harvest KK sample clustering with the early-harvest CG-32 sample based on VOCs signature. Orthogonal partial least squares-discriminant analysis (OPLS-DA) models exhibited exceptional predictive power ( Q 2 > 0.94) for varietal authentication, and a set of 35 key discriminatory markers (VIP > 1.0) was identified. This work underscores that MIs alone is an insufficient harvest guide and establishes a robust foundational methodology for VOCs-based quality control and varietal screening of olive oils. The high predictive power of the models demonstrates their potential for authenticity purposes, which now warrants validation with a larger sample set. Graphical Mapping the aroma of virgin olive oil: A dual-technique approach. HS-GC-IMS/MS analysis of two cultivars across eight maturity stages uncovered 35 key VOCs dictating oil identity and maturation. Multivariate modeling enabled precise differentiation, establishing a novel method for quality and authenticity verification.
研究领域:
食品化学
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分析化学
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香气科学
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园艺科学
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代谢组学
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高影响因子
Foods
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2025
·Vol. 15
·期 1
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IF 5.1
Hewei Shi,Lichuang Cao,Yaxin Bai,Yu Wang,Sihao Liu,Lishui Chen,Jiansheng Zhao,Shaohua Meng,Junguang Li
This study aimed to characterize the physicochemical, structural, and volatile compound changes in commercially sterilized pre-cooked braised chicken (PBC) during storage at 25 °C, using analyses conducted every 30 days from 30 to 180 days. Assessed parameters included microstructure, color, texture, pH, malondialdehyde (MDA) content, Ca2+-ATPase activity, and volatile organic compounds (VOCs). Significant quality changes occurred during storage. Specifically, theL* value decreased, and thea* value increased, while hardness, springiness, chewiness, and Ca2+-ATPase activity declined. pH increased from 6.01 to 6.59, and MDA content rose from 10.16 to 23.42 nmol/g. 91 VOCs were identified by gas chromatography-ion mobility spectrometry (GC-IMS), comprising 13 alcohols, 18 aldehydes, 18 ketones, 3 acids, 9 esters, 12 hydrocarbons, 6 aromatics, and 12 others. VOC profiles shifted dynamically: key aldehydes and ketones decreased initially, then increased, whereas alcohols, esters, hydrocarbons, and sulfur-containing compounds increased, then decreased. Prolonged storage significantly deteriorated the quality and altered the flavor profile, providing insights for PBC storage.
研究领域:
食品科学
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食品化学
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采后技术
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挥发性成分分析
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PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2025
·
IF 6.6
Yinhua Liu,Jingyan Wang,Ya Gao,Zhiying Wang,Chengsheng Zhu,Fei Xu,Li Pan
This study elucidated the aroma profile of non-dairy creamers by defining their sensory characteristics, volatile composition, and odor-active compounds through an integrated multidimensional approach. Sensory evaluation and multiple chromatographic techniques were synergistically combined to analyze eleven representative samples. Quantitative Descriptive Analysis (QDA) revealed distinct sensory profiles dominated by milky notes, accompanied by sweet and roasted nuances. Gas Chromatography-Olfactometry-Mass Spectrometry (GC-O-MS) pinpointed 20 key odor-active compounds, including nonanal and dodecane. Headspace Solid-Phase Microextraction GC-MS (HS-SPME-GC-MS) was used to obtain a broad-spectrum semi-quantitative overview, detecting 142 volatile components primarily comprising alkanes, aldehydes, and ketones, which varied considerably across samples. Furthermore, Headspace Gas Chromatography-Ion Mobility Spectrometry (HS-GC-IMS) was employed for the fingerprinting of trace volatile compounds, thereby complementing the other techniques by capturing low-abundance species, providing a more comprehensive volatile profile. The principal novelty lies in the integrated strategy that synergistically combines sensory evaluation (QDA), odor-active compound identification (GC-O-MS), broad-spectrum volatile profiling (HS-SPME-GC-MS), and trace-level compound analysis (HS-GC-IMS) to achieve a multi-layered understanding of flavor. This framework establishes a holistic approach for future studies on aroma precursor formation and process regulation in non-dairy creamers.
研究领域:
食品科学
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分析化学
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食品风味化学
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感官科学
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色谱学
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高影响因子
FOOD CHEMISTRY
·
2026
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IF 10.4
Li Liu,Xiaoming Wang,Shengyuan Guo,Yongjian Xia,Lin Zhang,Liang Zhao,Tong Xing,Feng Gao
To elucidate flavor differences between Ross 308 and indigenous Langshan chickens, a comprehensive analysis was conducted using gas chromatography-ion mobility spectrometry, electronic nose, electronic tongue, and sensory evaluation. Langshan chickens had a significantly higher cooking yield and superior sensory scores for aroma, umami, and juiciness. Gas chromatography-ion mobility spectrometry analysis identified 39 and 48 volatile compounds in thigh meat and braised soup, respectively. Multivariate analysis with excellent model fit identified multiple key flavor discriminants (variable importance in projection >1), including 2-pentylfuran, 1-hexanal, n-octanal, and 2,3,5-trimethylpyrazine. These compounds showed strong correlations with specific electronic nose responses. Collectively, this work provides a scientific basis for targeted flavor modulation.
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PubMed
高影响因子
Food Analytical Methods
·
2026
·Vol. 19
·期 2
·78
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IF 3
Zhang Xiaoyun,Xing Wenli,Zhang Wenwen,Bai Wanming,Ma Junyi,Zhang Ji,Kong Weibao
Volatile flavor compounds are key determinants of the sensory quality and consumer preference of olive oil, and their compositional profiles are significantly influenced by geographical origin. To elucidate the regional differences in volatile flavors, this study employed headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) combined with chemometrics to analyze oil samples from three major Chinese producing regions—Gansu, Yunnan, and Sichuan—as well as representative imported origins. A total of 56 volatile compounds were identified, including aldehydes, esters, alcohols, ketones, and terpenes. Fingerprint analysis revealed that terpenes were present at specifically high levels in some samples from Gansu, whereas alcohols and esters were more abundant in specific Sichuan samples and among the imported oils. Principal component analysis (PCA) showed limited overall separation among the regions, whereas partial least squares-discriminant analysis (PLS-DA) effectively discriminated samples from different geographical origins and identified 15 potential marker compounds with variable importance in projection (VIP) scores > 1. This study demonstrates that HS-GC-IMS coupled with chemometrics is an effective approach for screening volatile markers indicative of geographical origin, providing a potential research direction and data support for the traceability of olive oil.
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高影响因子
危险品化学品经营许可证（带存储）