JOURNAL OF CHROMATOGRAPHY A
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2025
·
IF 4
Lang Liu,Jianyi Zhang,Yanqin Zhao,Xunan Ning
Nonylphenols (NPs) are persistent endocrine-disrupting organic pollutant. Most studies focus on total NP content, with limited research on individual isomers. This study developed a method to separation and detection of 10 NP isomers using GC-FID-MS combined with Deans switch. It can effectively transfer NPs from the first gas chromatography column (DB-5MS) to the second column (CP-ChiraSil-DEXCB), achieving efficient separation of the 10 isomers. Sewage and sludge samples from wastewater treatment plants were prepared using solid-phase extraction (SPE) and solid-liquid extraction. NP isomers in sewage samples were enriched with a phenol-specific SPE column, rinsed with 10 mL methanol-water (v/v 2:8), and eluted with 3 mL methanol and 5 mL dichloromethane. NP isomers in sludge samples underwent three ultrasonic extractions with 30 mL ethyl acetate-dichloromethane (v/v 1:1). Concentrate the extract to 1 mL and then purified using an LC NH2 column, rinsed with 9 mL of ethyl acetate-n-hexane (v/v 1:9), and eluted with 10 mL of ethyl acetate-dichloromethane (v/v 1:1) .The results showed that the recovery rates for NP isomers ranged from 70.82 % to 110.12 % in sewage (LOQ: 0.09–0.31 μg/L; RSD: 1.82 %-10.12 %) and from 72.82 % to 114.12 % in sludge (LOQ: 0.15–0.47 μg/kg; RSD: 0.23 %-11.28 %), complying with the USEPA standards (70 %-130 %). Application of the method to real samples detected all 10 NP isomers, with concentrations of 0.50–5.01 μg/L in sewage and 0.13–24.91 μg/g in sludge.This method provides a reliable approach for the detection of NP isomers in complex environmental matrices.
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FLAVOUR AND FRAGRANCE JOURNAL
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2025
·
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.
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Food Chemistry-X
·
2025
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IF 8.2
Munguntsetseg Battur,Muhammad Aaqil,Jingchuan Zheng,Huang Xiao Lin,Bolormaa Chuluunotgon,Tserenkhand Zorigtbaatar,Cunchao Zhao,Yang Tian
This study investigates the impact of milk addition on the fermentation of walnut soy sauce, using Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) and metagenomics to analyze flavor profiles and microbial dynamics. GC-IMS analysis showed significant increases in volatile compounds such as esters (ethyl acetate), aldehydes (hexanal), and alcohols (isoamyl alcohol), enhancing the aroma and taste. Metagenomic analysis revealed that milk increased microbial diversity, with Weissella and Lactobacillus dominating early fermentation. The milk-enriched soy sauce (SYM) exhibited higher amino acid nitrogen (2.67 g/L), and total nitrogen (7.18 g/L) compared to the control, indicating improved nutritional quality. Protease activity peaked at 2438.5 U/g for neutral protease, supporting efficient protein hydrolysis. Relative Odor Activity Value (ROAV) analysis identified 29 key flavor compounds, including 3-methyl butanol and ethyl 2-methyl butyrate, which contributed fruity and buttery notes to SYM. These results suggest that milk enhances microbial growth and improves both flavor and nutritional quality of walnut soy sauce.
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
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2025
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IF 6.2
Yande Cai,Ze Wang,Jianjun Wang,Songgeng Li
The formation of chloride products in the process for pyrolysis of municipal solid wastes (MSW) with key model components was investigated by Py-GC/MS method. HCl and CH 3 Cl are identified as the most abundant chloride products for the individual pyrolysis of polyvinyl chloride (PVC) or corn straw (CS) in the range of 200–600 °C. For the pyrolysis of CS, a higher temperature is more favorable for the generation of HCl than that of CH 3 Cl. In the PVC pyrolytic products, chlorobenzene (Ph-Cl), benzyl chloride (Ph-CH 2 Cl), and 1-(chloroethyl)benzene (Ph-CHClCH 3 ) are also detected but in extremely low amounts. For the co-pyrolysis of PVC/CS, the formation of CH 3 Cl is significantly promoted. The synergistic effect in the PVC/CS co-pyrolysis process is mainly attributed to the reaction between the HCl derived from PVC and the decomposition products of lignin. The products of Ph-Cl and Ph-CH 2 Cl are mainly generated from the cyclization of Cl-containing chain species. CH 3 Cl and Ph-CHClCH 3 are mainly generated from secondary reactions between HCl and other pyrolytic products. No remarkable synergistic effect is observed on the formations of chlorides in the co-pyrolysis of PVC/PP (polypropylene), while the generation of Ph-CHClCH 3 is significantly enhanced in the co-pyrolysis of PVC/PS (polystyrene).
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JOURNAL OF CHROMATOGRAPHY A
·
2024
·
IF 3.8
Huan Liu,Siyuan Di,Yunkang Liu,Zihan Li,Pin Chen,Shukui Zhu
A novel magnetic mesoporous fluorinated metal-organic framework material (Fe 3 O 4 @MIP-206-F) has been synthesized specifically for application as an adsorbent for perfluoroalkyl carboxylic acids (PFCAs) extraction by magnetic solid-phase extraction (MSPE). The carefully designed Fe 3 O 4 @MIP-206-F material features an appropriate porosity, open metal sites of Zr, and functional groups (fluorine and amino) conducive to the adsorption process. The distinctive architecture of the material endows it with exceptional extraction capabilities for PFCAs. Adsorption mechanisms encompass acid-base interactions, hydrophobic interactions, F-F interactions, electrostatic interactions, and size complementarity. Optimization of key parameters has significantly improved the extraction efficiency of MSPE. When coupled with gas chromatography-mass spectrometry (GC–MS), MSPE offers rapid and highly sensitive analysis of PFCAs. The method demonstrates wide linear range (0.050–50 ng mL −1 ), low detection limits (0.0010–0.0019 ng mL −1 ), good recoveries (86.7 % to 111 %), and exceptional intra- and inter-day precision. This approach accurately quantifies PFCAs in lake water and groundwater samples, enabling precise assessment of environmental contamination levels and supporting targeted remediation efforts.
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JOURNAL OF MOLECULAR LIQUIDS
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2024
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IF 5.3
Meng Wei,Xiaochang Liu,Peng Xie,Aiyun Han,Yuanhua Lei,Xiaodong Yang,Yinchu Liu,Songshan Zhang,Baozhong Sun
In this study, the interactions between myofibrillar proteins (MPs) and key heterocyclic flavor compounds, 2-ethyl-6-methylpyrazine, 2-acetylpyrrole, 2-acetyl-thiazole, and 2-acetyl-2-thiazoline, in beef, were investigated using solid phase microextraction (SPME) combined with gas chromatography-mass spectrometry (GC–MS), spectroscopic, and followed by molecular docking. The GC–MS results revealed that the molecular structures of the flavor compounds strongly influenced their binding affinity with MPs. 2-Ethyl-6-methylpyrazine and 2-acetylpyrrole exhibited salting-out effects from the MPs solution, and 2-acetyl-2-thiazoline displayed a higher binding affinity with MPs compared to 2-acetyl-thiazole, indicated by the Hill binding models. Fluorescence static quenching experiments also demonstrated that 2-acetyl-2-thiazoline had a higher Stern–Volmer constant with MPs than 2-acetyl-thiazole. Circular dichroism analysis revealed that increased concentrations of flavor compounds transformed ordered structures in MPs into random coils. This suggests that high molar concentrations of 2-acetyl-thiazole and 2-acetyl-2-thiazoline induced conformational changes in MPs. In accordance with the molecular docking model, hydrogen bonds, van der Waals forces, and hydrophobic interactions were identified as the primary noncovalent interactions between MPs and 2-acetyl-thiazole and 2-acetyl-2-thiazoline. This study provides valuable insights for controlling flavor profiles of beef products.
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Analytical Methods
·
2017
·Vol. 9
·期 48
·6777-6784
·
IF 1.9
Guo-Wei Yu,Qiang Cheng,Jing Nie,Peng Wang,Xia-Jun Wang,Zu-Guang Li,Maw-Rong Lee
Deep eutectic solvents (DESs) have been gaining much attention in recent years due to their various novel properties. The present study develops a DES-based pretreatment followed by microwave-assisted hydrodistillation for the extraction of essential oil (EO) from dry fruits of white and black peppers. The process is optimized by single-factor experiments taking improvement in the EO yield of white pepper as the target. The results indicate that by using the reaction product of choline chloride and fructose as the DES with a 3 : 1 DES/powder mass ratio, the optimal conditions are (1) pretreatment stage: 600 W microwave power, 80 °C temperature, and 10 min duration; (2) fast heating stage: 600 W microwave power, 110 °C temperature, and 5 min duration; (3) hydrodistillation stage: 300 W microwave power, 110 °C temperature, and 35 min duration. Under these conditions, the EO yields of white and black peppers are 1.78% and 1.77%, respectively. The EOs are analyzed by using a gas chromatography-mass spectrometer (GC-MS), with a total of 54 compounds being identified. The new method brings about more identified compounds than hydrodistillation. Thus the DES-based approach has been proved superior in the enhancement of EO production, and has the potential of being extended to the analysis of volatile compounds from other plant resources.
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FOOD RESEARCH INTERNATIONAL
·
2024
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IF 7
Shiya Gan,Yingqi Chen,Lei Zhao,Xiaoyi Zhao,Tong Qiu,Xiaoting Zhai,Qianying Dai
Chinese Xiaokeng green tea (XKGT) possesses elegant and fascinating aroma characteristics, but its key odorants are still unknown. In this study, 124 volatile compounds in the XKGT infusion were identified by headspace-solid phase microextraction (HS-SPME), stir bar sorptive extraction (SBSE), and solvent extraction-solid phase extraction (SE-SPE) combined with gas chromatography-mass spectrometry (GC–MS). Comparing these three pretreatments, we found HS-SPME was more efficient for headspace compounds while SE-SPE was more efficient for volatiles with higher boiling points. Furthermore, SBSE showed more sensitive to capture ketones then was effective to the application of pretreatment of aroma analysis in green tea. The aroma intensities (AIs) were further identified by gas chromatography–olfactometry (GC-O). According to the AI and relative odor activity value (rOAV), 27 compounds were identified as aroma-active compounds. Quantitative descriptive analysis (QDA) showed that the characteristic aroma attributes of XKGT were chestnut-like, corn-like, fresh, and so on. The results of network analysis showed that ( E , Z )-2,6-nonadienal, nonanal, octanal and nerolidol were responsible for the fresh aroma. Similarly, dimethyl sulfide, ( E , E )-2,4-heptadienal, ( E )-2-octenal and β -cyclocitral contributed to the corn-like aroma. Furthermore, indole was responsible for the chestnut-like and soybean-like aroma. This study contributes to a better understanding of the molecular mechanism of the aroma characteristics of XKGT.
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Current Research in Food Science
·
2025
·
IF 7
Tianzi Yu,Yulin Fan,Jixing Zhang,Jingming Ning
Green tea occupies a prominent position in the Chinese tea market. Although drying the tea constitutes a critical processing step, its mechanistic impact on aroma quality remains unclear. This study aimed to investigate the effects of three drying methods—roasted drying (RD), pan drying (PD), and sun drying (SD), namely, on green tea aroma formation. Sensory molecular science and targeted metabolomic analyses indicated that PD resulted in distinct chestnut- and bean-like aromas, while SD resulted in fatty and green aromas. ( E )-2-heptenal, ( E )-2-octenal, and nonanal, characteristic of SD green tea, were found to be the key sources of fatty aroma. These compounds are typically produced by the degradation of unsaturated fatty acids such as linoleic, oleic, and palmitic acids. Conversely, 2,5-dimethylpyrazine and 3,5-diethyl-2-methylpyrazine, generated through the Maillard reaction (MR), were identified as primary contributors to the chestnut- and bean-like aromas resulting from PD. Precursor analysis (soluble sugars, free amino acids, fatty acids, and MR intermediates) substantiated these findings. This study systematically elucidates drying-driven aroma modulation mechanisms, providing a theoretical foundation for optimizing the aroma quality of green tea.
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Foods
·
2022
·Vol. 11
·期 18
·2804
·
IF 5.561
Xiaobo Gu,Xue Zhang,Keqing Wang,Xi Lv,Ruyi Li,Wen Ma
Grape volatile compounds directly determine the aroma quality of wines. Although the aroma profile of grapes evolved greatly at different maturity stages, there were less considerations for aroma status when determining grape harvest time. In the present study, several maturation indicators, namely, sugars/acids ratio, free volatile compounds, bound volatile compounds and IBMP (3-isobutyl-2-methoxypyrazine) content were monitored in four red wine grape varieties (Vitis viniferaL. cv Cabernet Sauvignon, Cabernet Gernischet, Cabernet Franc and Merlot) near harvest time (42 days) in Ningxia, China. The results showed that the highest sugars/acids ratio was reached on day 21 and day 28 for Merlot and the other three varieties, respectively. For both free and bound volatile compounds, the content of carbonyl compounds decreased continuously in the process of ripening. The contents of free alcohols, esters and terpenes increased in the ripening stage and decreased in the stage of over-ripening. The accumulation of favorable bound aroma compounds peaked at day 35. The content of IBMP presenting a green smell in all four varieties descended continuously and kept steady from day 28. Therefore, the present findings revealed that the best aroma maturity time of four studied grape varieties was later than the sugars/acids ratio in Ningxia region. Aroma maturity should be taken into account during harvest time determination.Keywords:wine grape;volatile compounds;aroma maturity;harvest
研究领域:
葡萄栽培学
·
食品科学
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LWT-FOOD SCIENCE AND TECHNOLOGY
·
2026
·
IF 7.1
Qun-Yan Xiong,Hui-Wen Gu,Qing-Qing Luo,Chao Wang,Yan-Qing Fu,Xiao-Li Yin
A machine learning-driven strategy for optimal feature selection is proposed. • W1W and W1C sensors serve as key variables for aroma type classification. • 131 volatile compounds were identified in Liupao tea. • 14 aroma type differentiating compounds were identified. • 4 key variables yielded 100% accurate aroma recognition models. This study aimed to differentiate between the stale-aroma and betelnut-aroma types of Liupao tea by analyzing their volatile profiles. An integrated methodology was employed, combining electronic nose (E-nose) technology with headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). The E-nose data effectively differentiated between the two aroma types in both dry leaves and tea infusions. HS-GC-IMS enabled identification of 131 volatile compounds. Key discriminative features were selected through machine learning by integrating the variable importance in projection (VIP) from orthogonal partial least squares discriminant analysis (OPLS-DA) with Shapley additive explanations (SHAP) values from extreme gradient boosting (XGBoost). This process identified two critical E-nose sensor channels and two key volatile compounds. Utilizing these four optimal variables, three classification models were developed: principal component analysis-linear discriminant analysis (PCA-LDA), partial least squares discriminant analysis (PLS-DA), and support vector machine (SVM). All models demonstrated a perfect classification accuracy of 100% on both the training and internal test datasets. The PCA-LDA and PLS-DA models maintained 100% accuracy on the independent test set, whereas the SVM model achieved a classification accuracy of 80% on the same set. These results reveal the volatile characteristics of Liupao tea and offer valuable insights for quality assessment and targeted flavor modulation.
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FOOD RESEARCH INTERNATIONAL
·
2026
·
IF 8.8
Qi Zhao,Yicheng Zhou,Cong Wang,Mingxuan Li,Shan Zhu,Chang Xue,De Ji,Yuwen Qin,Chengxi Jiang
Gastrodia elata Bl. ( GE ), a widely utilized edible and functional material, exhibits notable quality variations due to distinct growing conditions across different geographical origins, making reliable methods for origin authentication and quality evaluation essential. This study integrated machine vision, flash GC e-nose and HPLC to analyze GE samples from Anhui (AH), Shaanxi (SN), and Yunnan (YN) provinces in China. Results showed comparable color characteristics among geographical origins, but distinct textural differences: SN samples displayed more complex textures with higher surface roughness, YN samples showed richer textural details but less distinct edges and lower periodicity, while AH samples exhibited smoother surfaces. Eleven flavor compounds were identified as potential flavor markers. Although no significant differences were found in the total content of six marker components, three linear machine learning models (PLS, SVM, and LDA) established based on multidimensional features achieved 100% classification accuracy in training and prediction sets, providing a reliable approach for GE geographical origin traceability.
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危险品化学品经营许可证（带存储）