JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2026
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IF 5.3
Chengyong Jin,Yu Li,Guangyuan Jin,Juan Jin,Yutao Lv,Zhe Dang,Yafang Feng,Yan Xu
In this study, MUV-10/graphene oxide (GO) composite solid-phase microextraction (SPME) fibers were prepared on stainless steel wire substrates by the sol-gel method. A sensitive and reliable analytical method was developed by combining the Headspace-SPME (HS-SPME) procedure with gas chromatography/mass spectrometry (GC/MS) for the determination of aroma compounds in six different aged Baijiu samples. Several experimental parameters affecting the adsorption efficiency were investigated, including fiber thickness, salt concentration of the sample solution, etc. Under optimized conditions, the self-made MUV-10/GO-1% fiber was found to have better adsorption efficiency for polar analytes (such as alcohols and esters) than the commercial 50/30 μm PDMS/DVB/CAR fiber. The linear range of the established method was 0.1–100 μg/L, with correlation coefficients (r) ranging from 0.9957 to 0.9998. The limits of detection (LODs) and quantification (LOQs) were 0.001–1.147 μg/L and 0.003–3.824 μg/L, at the signal-to-noise ratio of 3 and 10, respectively. The relative standard deviations (RSDs) of the fibers were 8.1–13.5% (between fibers) and 4.6–10.1% (for a single fiber). The established HS-SPME/GC-MS method was used to analyze six different aged Baijiu samples, revealing that the concentrations of several off-flavor compounds decreased with the extension of storage time and the levels of long-chain fatty acid ethyl esters (LCFAEEs) gradually increased.
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Analytical Methods
·
2026
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IF 3
Shuang Lei,Lulu Pu,Xinrong Chen,Chaoxuan Liao,Yanping Fu,Jiahao Xu,Yi Gao,Mengran Wang,Zhoubing Huang,Dali Sun
Solid-phase microextraction (SPME) is widely used in trace analysis, while traditional strategies mainly focus on coating modification, but the regulatory role of organic solvents in the interface force field remains unclear. In this study, acetonitrile was selected as the model solvent and 125 pesticides were selected as model analytes to investigate the effect of acetonitrile on the adsorption behavior of hydrophilic-lipophilic balance (HLB)-based SPME. Contrary to traditional understanding, adding a small amount of acetonitrile significantly enhances the pesticides' adsorption equilibrium constant (average 6.55-fold), with more pronounced effects on hydrophilic pesticides (log P < 1) than on hydrophobic pesticides (log P > 5), challenging the classic hydrophobic partitioning mechanism. Comparative analysis shows that the three-dimensional energy lattice point model outperforms the two-dimensional extended connectivity fingerprint model in predicting adsorption constants in acetonitrile-containing systems (training set R2 = 0.86; test set R2 = 0.53), effectively capturing steric and electrostatic characteristics. Molecular field analysis reveals that acetonitrile induces a force field conversion: the electrostatic field contribution increases from 1.5% to 21.4%, while the steric field contribution drops from 98.5% to 78.6%, shifting dominant adsorption forces from nonspecific van der Waals interactions to specific electrostatic interactions. Mechanistically, acetonitrile reshapes the solid–liquid interface via four synergistic effects: interfacial polarity regulation, microheterogeneous structure construction, interfacial enrichment, and diffusion pathway optimization. This study highlights the “solvent-mediated interface engineering” perspective for improving SPME performance, offering theoretical support for optimizing extraction conditions and designing selective materials.
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Frontiers in Chemistry
·
2026
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IF 5.3
Pengfei Yang,Lingqi Kong,Qiongbo Wang,Qiang Liu,Xiujin Duan,Chen Hu,Zhengbo Feng,Qi Yang,Huabo Jv
Introduction To investigate the impact of different processing methods on the volatile components in Aglaia odorata flower extract (AOFEs). Methods Headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry and electronic nose (E-Nose) analysis were employed to characterize volatiles of extracts obtained by ultrasound-assisted extraction (UAE), microwave-assisted extraction (MAE), and heated reflux extraction (HRE). Multidimensional assessment using aroma radar charts, orthogonal partial least squares-discriminant analysis (OPLS-DA), K-means clustering, and relative odor activity value (ROAV) revealed significant processing-dependent variations. Results and discussion The results indicated that the fiber coated with DVB/CAR/PDMS had optimal extraction efficiency. A total of 46 compounds were identified, including eight alcohols, four aldehydes, one acid, 25 terpenes, seven ketones, and one heterocyclic compound. UAE and MAE had 36 and 38 compounds respectively, sharing similar compositional profiles but differing in concentrations, while HRE produced only 25 compounds Sensory evaluation and E-Nose results revealed differences in the aroma profiles of the extracts, with UAE and MAE extracts exhibiting intensified floral and sweet notes, whereas HRE displayed prominent green and spicy characteristics. K-means clustering categorized volatile evolution trends into four distinct subclasses. OPLS-DA identified 13 differential volatiles with variable importance in projection greater than 1, with ROAV analysis further selecting eight key markers, including (1R,7 S )-germacra-4(15),5,10(14)-trien-1 β -ol, α -humulene, copaene, β -cadinene, (E)- β -caryophylene, Γ -cadinene, humulene oxide II, and caryophyllene oxide. These compounds collectively contribute to the sweet and floral attributes of AOFEs. This study elucidated extraction-method-dependent volatile profiles and aroma characteristics, providing theoretical guidance for process optimization and quality enhancement in AOFEs production.
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FOOD CHEMISTRY
·
2025
·
IF 9.8
Yaming Sun,Baoen Su,Ke Zhang,Yuhong Lin,Bing Wang,Min Sun
The monitoring of phthalates (PAEs) is essential for ensuring the quality and safety of Chinese Baijiu. However, the complex matrices and low level pose significant technical challenges. Herein, an online in-tube solid-phase microextraction coupled with high-performance liquid chromatography-diode array detector (IT-SPME-HPLC-DAD) was proposed for detecting PAEs in Baijiu. A covalent organic framework was grown onto carbon fibers, then the material was carbonized to get another fibers (CFs@C-COF). The CFs@C-COF as a sorbent of IT-SPME demonstrated enhanced physicochemical properties, including highly a graphitized structure with mild defects, a high surface area, abundant mesopores and excellent durability. The superior extraction efficiency of CFs@C-COF for PAEs can be ascribed to multiple interactions, such as hydrophobic, π-stacking, and pore-filling effects. The developed online IT-SPME-HPLC-DAD method exhibited the linear ranges (1.0–10.0, 1.5–10.0 μg L −1 ), the limits of detection (0.3–0.5 μg L −1 ), acceptable relative recoveries (72.7 %–125.8 %), and satisfactory repeatability. In addition, the total duration of this online extraction procedure was only 23 min and no any pretreatment of the samples was required except for diluting Baijiu samples. This research not only offered a simple and effective strategy for the analysis of Baijiu but also expanded the application of carbonized COFs in food safety.
研究领域:
食品安全
·
分析化学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2025
·
IF 4.6
Tongtong Yang,Bo Tang,Junyi Tang,Chenqi Xu,Yanlong Hong,Fei Wu,Xiao Lin
Pheretima products are widely used, but the stenchy odor is a constraint to their application. In this study, 86 and 673 volatile components (VOCs) were identified in Pheretima and its extracts using headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) and headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS), respectively. An increase in acid and amine contents after processing was found, which may explain the increased stenchy odor. Through orthogonal partial least squares discriminant analysis (OPLS-DA), 14 differential markers between aqueous and alcoholic extracts were screened, and 3-methylbutanal, pentanal, and trimethylamine were identified as the key differential odor components. Combined with relative odor activity value (ROAV) analysis, 10 key odor components were identified, including: 3-methylbutanal, 1-octen-3-ol, dimethyl trisulfide, (2 E ,6 Z )-nona-2,6-dienal, methyl mercaptan, guaiacol, isobutyraldehyde, 1,8-cineole, 2-pentylfuran, and pentanal. This study provides theoretical support for the optimization of the odor of Pheretima-containing products and promotes their application.
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FLAVOUR AND FRAGRANCE JOURNAL
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2025
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IF 2
Qianyu Li,Kaiyan You,Ya Wang,Xuehui Cao,Danshi Zhu
The flavour quality of Lentinus edodes chicken meat filling with varying proportions of mushroom was analysed using gas chromatography–mass spectrometry (SPME-GC–MS), electronic sensory technology and fuzzy mathematical sensory evaluation. The results indicate that the addition of Lentinus edodes increased the content of unsaturated fatty acids by 3.97% and total volatile compounds by 79.20%, compared to the filling without Lentinus edodes. Furthermore, the ratio of umami amino acids increased by 6.54%. Spearman correlation analysis revealed that sensory scores are influenced by multiple factors rather than a single or few factors alone. Correlation analysis demonstrated a positive relationship between sensory score and the content of flavour amino group and Mushroom alcohol, while showing a negative correlation with the content of 5′-GMP. These findings suggest that changes in the proportion of dry and fresh Lentinus edodes significantly impact the flavour profile of chicken stuffed with Lentinus edodes.
研究领域:
食品科学
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分析化学
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FOOD RESEARCH INTERNATIONAL
·
2021
·
IF 6.475
Yajiao Zhao,Wenli Wei,Li Tang,Dongdong Wang,Yan Wang,Zhengyun Wu,Wenxue Zhang
Sichuan industrial paocai and traditional home-made paocai have different aroma profiles due to different manufacturing techniques, but detailed information about the aroma profiles and aroma-producing microorganism of Sichuan industrial paocai remain largely elusive. For this reason, we established and validated an external standard method of headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC–MS) combined with gas chromatography–olfactometry (GC-O) for identification and accurate quantitation of aroma-active compounds in Sichuan industrial paocai. This method was combined with 16S rRNA amplicon sequencing to comprehensively analyze the aroma and bacteria profiles of Sichuan industrial paocai. A total of 121 volatile compounds were identified, among which 36 odorants were identified as aroma-active compounds with aroma intensities (AIs) ranging from 0.67 to 5.00 by GC-O. The types of aroma-active compounds in Sichuan industrial paocai were variety-specific to some extent, but the aroma-active compounds shared by different varieties of Sichuan industrial paocai (i.e., skeleton aroma-active compounds) were phenylethyl alcohol, acetic acid, butanoic acid, 2-methylbutanoic acid, ethyl hexanoate, 4-ethylphenol and 4-ethylguaiacol. Moreover, 17 key aroma-active compounds of AI > 1 in radish paocai were quantitated by external standard method, and their odor activity values (OAVs) were calculated based on the odor thresholds. Further, 12 aroma-active compounds with OAV ≥ 1 in one of the radish paocai were selected to construct the recombination model, which revealed good agreement with the original sample. Furthermore, Lactobacillus, Pediococcus, Pseudomonas and Sphingomonas were the dominant bacteria in Sichuan industrial paocai. Correlation analysis between 16 dominant bacteria and 36 aroma-active compounds showed that Pediococcus, Arcobacter and Lactobacillus could be the core aroma-producing bacteria of Sichuan industrial paocai.
研究领域:
食品科学
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微生物学
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分析化学
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FOOD CHEMISTRY
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2024
·
IF 8.5
Tianyu Ma,Chunguang Wang,Xinyue Zhang,Yuxuan Zhu,Jiani Liu,Jian Sun,Baoqing Zhu,Dongqing Ye
Two varieties of mango juices (MJs) were separately fermented with 40 strains Lactiplantibacillus plantarum . The volatile compounds and sensory characteristics of the fermented mango juices (FMJs) were analyzed by HS-SPME-GC–MS and Napping method. The results demonstrated well growth among all strains except for LC25. Strains SS6 and B15 demonstrated the strongest acid production capacity in ReNong and Ketti MJs. Seventy-five volatile compounds were identified, showcasing strain-specific differences. Fermentation significantly enhanced the complexity and intensity of aroma compounds, especially terpenes, esters and alcohols. Sensory evaluation categorized FMJs into six aroma profiles, with strains C10 and LA100 exhibiting pleasant ‘mango’ flavor in ReNong and Ketti MJs. Multivariate factor analysis revealed that esters potentially play a key role in enhancing the ‘mango’ and ‘floral’ aroma of the FMJs. This study serves as a valuable resource for Lp. plantarum strain selection and quality control in FMJ development by analyzing the acid and aroma diversity.
研究领域:
食品科学
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微生物学
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分析化学
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感官评价
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LWT-FOOD SCIENCE AND TECHNOLOGY
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2026
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IF 7.1
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 RESEARCH INTERNATIONAL
·
2019
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IF 3.579
Mostafa Gouda,Meihu Ma,Long Sheng,Xiaole Xiang
This study was focused on the differences between three concentrations of four safe bio-active volatile terpenes and natural compounds (trans-cinnamaldehyde, thymol, menthol, and vanillin) on the egg yolk volatile components. In which, Headspace Solid phase Micro Extraction (HS-SPME) followed by GC/MS were used for volatiles analysis, and electronic nose (E-Nose) with 18 sensors was used for the aroma pattern. In the results, a total of 111 different volatile compounds were identified by using GC/MS. Some ketones, amines, nitro and organic acid compounds such as hexanone were significantly reduced after using these compounds. On the other hand, first principal components (PC1) of trans-cinnamaldehyde (0.1%) was decreased significantly ( p < .05) to −4.8 ± 0.8, compared to the control with 4.3 ± 2.1. And, it increased benzaldehyde and nonanal peaks area significantly to 46.56 ± 14.46 and 9.22 ± 4.81 MPA. In menthol (0.1%), the content of d-limonene was decreased to 4.65 ± 0.49 MPA, compared to the control with 14.16 ± 4.95 MPA. On the other hand, by E-Nose, vanillin (0.1%) PC1 was decreased significantly to −4.48 ± 0.43. Moreover, thymol (0.1%) decreased hydrocarbon sensation to 0.448 ± 0.005. And, vanillin (0.1%) decreased hydrogen sulfide and ketones sensation to 0.169 ± 0.01 and 0.344 ± 0.01, respectively. In conclusion, this study is providing novel information to understand the effects of bio-active molecules on the biological fatty media volatility. Also, it explains how terpenes can protect egg yolk media from the unacceptable odor formation which results from the degradation of its lipids and proteins.
研究领域:
食品科学
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分析化学
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Analytical Methods
·
2022
·Vol. 14
·期 36
·3583-3597
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IF 3.532
Wen-Ting Gu,Lin-Yuan Li,Wen-Jing Rui,Zhong-Wen Diao,Guo-Dong Zhuang,Xiao-Mei Chen,Zheng-Ming Qian,Shu-Mei Wang,Dan Tang,Hong-Yan Ma
Cultivated ginseng (CG), transplanted ginseng (TG) and mountain cultivated ginseng (MCG) classified by the habitat type all belong to Panax ginseng and were reported to have similar types of secondary metabolites. Nonetheless, owing to the distinctly diverse habitats in which these ginseng types grow, their pharmacological effects differ. In the present study, an emerging analytical approach involving headspace solid-phase microextraction-gas chromatography–mass spectrometry (HS-SPME-GC–MS) was established to effectively distinguish among CG, TG and MCG. First, the volatile components were analysed and identified by using the NIST library combined with measured retention indices (Kovats', RI), and a total of 78 volatile components were finally characterized, which included terpenes, alcohols, esters, aldehydes and alkynols. Furthermore, multivariate statistical approaches, principal component analysis (PCA) and orthogonal partial least-squares discrimination analysis (OPLS-DA) were subsequently utilized to screen for compounds of significance. Under optimized HS-SPME-GC–MS conditions, 12, 16, and 16 differential markers were screened in the CG-TG, CG-MCG and TG-MCG groups, respectively. Our study suggested that HS-SPME-GC–MS analysis combined with metabolomic analytical methods and chemometric techniques can be applied as potent tools to identify chemical marker candidates to distinguish CG, TG and MCG.
研究领域:
药理学
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分析化学
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代谢组学
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FOOD RESEARCH INTERNATIONAL
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2023
·
IF 8.1
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.
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