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Food Chemistry-X · 2024 · IF 6.5

Effects of storage time on flavor characteristics of bran-free fermented Baijiu by using electronic sensory, descriptive sensory analysis, GC × GC–MS, and ICP-MS

Qiao Huang,Ying Liu,Lei Tian,Fuqiang Xiong,Zongjun He,Yanhui Zhao,Shuangquan Xiang,Xianping Qiu,Jianshen Yu,Tongwei Guan

By examining and analyzing bran-free fermented Baijiu (BFB) with varying storage periods (0–20 years), it was observed that the overall concentration of volatile compounds initially increases and subsequently decreases over time. Furthermore, BFB exhibited more kinds of long chain esters, higher concentration of acetals, and reduced furfural content. The process of cellaring can enhance the aged, sweet, and fruity aroma of BFB. 16 flavor compounds, including 1,1-diethoxyethane, ethyl dodecanoate, and ethyl hexadecanoate, can be used as markers for vintage BFB, and electronic sensory technology was capable of discerning BFB in different years. The results of redundancy analysis (RDA) showed a positive correlation between metals and aldehydes, esters, and ketones, while indicating a negative correlation with acids and alcohols. Al, Fe, and Ca underwent the most significant changes during storage period, and they were positively correlated with differential substances, such as benzaldehyde, vanillin, ethyl isovalerate, and ethyl palmitate ( P  < 0.01).

CAS / MDL: 123-96-6
研究领域: 食品科学 · 化学工程 · 分析化学 · 感官科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Food Chemistry-X · 2024 · IF 6.5

Characterization of flavor substances in cooking and seasoned cooking brown seaweeds by GC-IMS and E-nose

Shan Jiang,Pengfei Jiang,Dingding Feng,Meiran Jin,Hang Qi

The flavor of algae was one of the key factors for consumer acceptance. The objective of this study was to investigate the characteristic volatile compounds in cooking and seasoned cooking edible brown seaweeds ( Undaria pinnatifida and Laminaria japonica ). The gas chromatography-ion mobility spectrometry (GC-IMS) and electronic nose (E-nose) analysis showed that baking resulted in significant difference in flavor of brown seaweeds. However, the overall effect of cooking was not as significant as that of the seasoning solution treatment. Additionally, brown seaweeds treated with the seasoning solution were more acceptable. Undaria pinnatifida was found to contain 72 volatile flavor compounds, while Laminaria japonica had a total of 70. This study proved the applicability of GC-IMS combined with E-nose technology to detect the changes of volatile components of brown seaweeds after processing, providing beneficial knowledge and basic theory for the deep processing of brown seaweeds.

研究领域: 食品科学 · 海洋生物学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2016 ·Vol. 408 ·期 17 ·4661-4667 · IF 3.125

A GC/MS method for determination of succinylacetone in Arabidopsis thaliana

Zhou Lizi,Yang Zhaoguang,Zhi Tiantian,Zhou Zhou,Wang Xiaochen,Ren Chunmei,Qiu Bo

Succinylacetone was known to be a toxic metabolite of tyrosine in human and animals caused by blockage of the final step in tyrosine degradation pathway, but its existence in plant was unclear though the metabolic disturbance of tyrosine was also found in plant. A GC-MS method for determination of succinylacetone in Arabidopsis thaliana was developed for the first time. Both oximation and silylation were applied in the derivation procedure, and a low-temperature condition before completion of oximation was found to be necessary to obtain good linearity of the calibration curve due to the thermolability of succinylacetone. The specific chromatogram pattern formed by the four isomers of succinylacetone derivatives provided a helpful feature for its identification. The detection limit of the proposed method was 0.25 ppm in A. thaliana . The recoveries were between 95.4 and 109.3 % with the coefficient of variation ranging from 4.36 to 7.81 % for intra-day assays and 6.47 to 8.52 % for inter-day assays. Application to wild-type and the short-day sensitive cell death 1 mutant of A. thaliana represented an obvious correlation between the measured amount of succinylacetone and wilting symptom, suggesting the proposed method could be a powerful tool in further study on toxicology of succinylacetone and tyrosine catabolism in plants.

研究领域: 植物学 · 分析化学 · 毒理学
✓ 已验证 DOI PubMed 高影响因子
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FOOD RESEARCH INTERNATIONAL · 2025 · IF 8

Photocatalytic degradation of the pesticide pyridaben: Identification of degradation pathways using SERS and GC–MS

Meng-Lei Xu,Songning Zhao,Wenshuo Ren,Mengmeng Zhang,Xiao Xia Han,Liang Su,Chengcong Chen,Yunfei Xie,Yu Gao

Degradation pathways of the pesticide pyridaben in tea caused by ultraviolet photocatalytic degradation were identified using SERS and GC–MS. Pyridaben in tea decreased from 4.50 mg/kg to 3.46 mg/kg after 2 h and to 0.62 mg/kg after 5 h, with a degradation rate of 86.22 % and a recovery rate of 90.00 %. The pyridaben degradation process involved C–S cleavage, with a SERS band of ν(C–S) at 710 cm −1 disappearing in the first hour. This was followed by cleavage of the N atom and the attached tert butyl group, resulting in the cleavage of the C-N bond in the ring, causing ring opening degradation. The presence of residual pyridaben was not necessarily related to the content of tea polyphenols; however, the UV light significantly reduced the content of theobromine, EGC, EC, and ECG but increased the content of EGCG. Ultraviolet irradiation slightly reduced the moisture content of oolong tea samples and did not significantly affect the total ash content. The content of water extract increaseing irradiation time due to the influence of moisture. UV irradiation time at the range of 60–360 min could degrade pyridaben while reducing its impact on tea quality.

研究领域: 环境科学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2020 · IF 3.721

Isolation and lipidomics characterization of fatty acids and phospholipids in shrimp waste through GC/FID and HILIC-QTrap/MS

Qing Shen,Gongshuai Song,Honghai Wang,Yanping Zhang,Yiwei Cui,Hujun Xie,Jing Xue,Haixing Wang

Shrimp waste contains a large number of bioactive lipids for preparing functional foods. In this study, a 1,2-dichloroethane based method for extracting phospholipids from shrimp waste was developed. The number of phospholipids recovered by 1,2-dichloroethane/methanol at a ratio of 1:2 (v/v) was 10.97 g/100 g, which was comparable with the performance of conventional methods. The lipidomics profile of the extract from shrimp waste was studied through gas chromatography with flame ionization detection (GC/FID) and hydrophilic interaction liquid chromatography coupled to QTrap mass spectrometry (HILIC-QTrap/MS) to reveal the effect of different extraction methods on the selectivity of lipids. It was found that the lipid extracts using different methods showed significant variation, while the diversity and percentage of each molecular species were generally the same. Besides, a large number of health beneficial dietary ω-3 polyunsaturated fatty acid (PUFA) structured phospholipids were detected, which indicated that shrimp waste was an important source with significant nutritional values.

研究领域: 食品科学 · 生物化学 · 营养学
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Journal of Food Measurement and Characterization · 2024 · IF 2.9

Early identification of Aspergillus spp. in vitro based on HS-GC-IMS and electronic nose

Chen Huajiang,Luo Yanran,Xing Guiqing,Shi Yongqing,Gu Shuang,Wang Xiangyang

Aspergillus spp. are common dominant fungi in the moldy agricultural products. Different Aspergillus species exhibit high morphological and genetic sequence similarity, making identification challenging. The measurement of mycelial growth in these Aspergillus species often requires a relatively long time. Therefore, there is a need to develop a new rapid method for identifying Aspergillus species and monitoring their growth. The volatile compounds released by five Aspergillus species on culture media were detected by gas chromatography-mass spectrometer (GC–MS), electronic nose and headspace-gas chromatography-ion migration spectrometry (HS-GC-IMS), their characteristic volatile signals were captured, the models for identifying Aspergillus species were established, and prediction models for mycelial growth of five Aspergillus species were developed. The results showed that the LDA classification training set model constructed using the fusion of GC-IMS and electronic nose data achieved a 100% accuracy rate for identifying Aspergillus species in the training set and an 83.3% accuracy rate in the test set, significantly outperforming models based on HS-GC-IMS or electronic nose data alone. When the result combined with morphological analysis, a 100% accuracy rate in identifying Aspergillus species could be achieved. The partial least squares regression (PLSR) prediction models for mycelial growth in Aspergillus species, constructed using both fusion electronic nose data and HS-GC-IMS data, demonstrated high accuracy with prediction accuracies greater than 0.972 for all five species. The prediction model based solely on electronic nose data had lower accuracy, while models using HS-GC-IMS data alone or its combined with electronic nose data achieved good results. This fusion approach of HS-GC-IMS and electronic nose might have the potential to serve as a preliminary screening tool for fungi identification.

研究领域: 微生物学 · 食品科学
✓ 已验证 DOI 高影响因子
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BIORESOURCE TECHNOLOGY · 2011 · IF 4.365

Mechanism research on cellulose pyrolysis by Py-GC/MS and subsequent density functional theory studies

Shurong Wang,Xiujuan Guo,Tao Liang,Yan Zhou,Zhongyang Luo

The mechanism of fast pyrolysis of cellulose has been studied by using an analytical pyrolyzer coupled with a gas chromatography–mass spectrometry set-up (Py-GC/MS). The results showed that the main products comprised pyrans such as levoglucosan and levoglucosenone, furans such as furfural and 5-hydroxymethyl furfural, and linear small molecular chemicals such as acetaldehyde and 1-hydroxy-2-propanone. The compositions of products from fast pyrolysis of cellubiose and glucose were similar to that from cellulose, but with higher furan contents and lower pyran contents. Based on the experimental results, density functional theory (DFT) studies were carried out to deduce the pyrolysis mechanism of cellulose. The results showed the formation of 5-hydroxymethyl furfural from d -glucopyranose unit to be easier than the formation of levoglucosan, in agreement with the experimental results. The deduced mechanism of reaction pathways in cellulose pyrolysis provides insight into the pyrolysis behavior of cellulose and allows modification of previously proposed related mechanisms.

CAS / MDL: 98-01-1 50-99-7 67-47-0
研究领域: 化学工程 · 能源科学 · 计算化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF STORED PRODUCTS RESEARCH · 2024 · IF 2.7

Discovering potential fumigants against Tribolium castaneum from essential oils using GC-MS and chemometric approaches

Yan Yan Lin,Min Xing Zhang,Miao Sun,Lu Sheng Wan,You Zhou,Jing Sheng Chen

Tribolium castaneum is recognized as one of the most significant global pests affecting stored grains. Due to their general safety, essential oil (EO)-based biopesticides have garnered increasing interest worldwide. To provide a more rapid and objective method for the identification of individual components with potential fumigants from EOs, a GC-MS-based metabolomics strategy was applied in this study. Five EOs— Eucalyptus globulus , Dendranthema indicum , Cinnamomum cassia , Pinus massoniana , and Cinnamomum camphora —demonstrated remarkable toxicity, achieving corrected mortality rates exceeding 90% against Tribolium castaneum . A total of 41 potential fumigants were screened, with 21 of these identified potential fumigants corroborated by existing literature or preliminarily bioassay experiments. Key components included (−)-myrtenol, β-pinene, p -cymene, γ-terpinene, sabinene, β-myrcene, β-ocimene, and α-terpinene. These findings not only highlight promising EO-based fumigants against Tribolium castaneum but also provide lead compounds for future structural optimization. Additionally, this discovery strategy serves as a valuable reference for similar studies in natural products and biopesticides.

研究领域: 昆虫学 · 植物化学 · 害虫防治
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Analytical Methods · 2025 · IF 2.6

Qualitative and quantitative analysis of the changes in chemical composition of frankincense before and after stir-frying using GC-MS and LC-MS

Aiwen Shi,Bin Qi,Xiaolei Tang,Li Liu,Chang Wang,Ziyi Jia

Frankincense is a resin drug widely used in the medical field. Comprehensive qualitative and quantitative analysis of the differences in the chemical composition of frankincense, stir fried frankincense and vinegar frankincense by combined GC-MS and LC-MS chromatographic methods. In GC-MS analysis, six chemical compositions with high content in frankincense were selected, including β-ocimene、1-octanol、acetic acid, octyl ester、nerolidol、lauric acid and incensole acetate. In the LC-MS analysis, eight more widely studied chemical compositions were selected, including 11-keto-β-boswellic acid、β-elemolic acid、acetyl-11-keto-β-boswellic acid、β-elemonic acid、α-boswellic acid、β-boswellic acid、3-0-acetyl-α-boswellic acid、3-0-acetyl-β-boswellic acid. In addition, some chemical composition of frankincense were identified by LC-MS fragmentation information.

研究领域: 中药学 · 分析化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Theranostics · 2025 ·Vol. 15 ·期 6 ·2360 · IF 13.3

Inhibition of macrophage inflammasome assembly and pyroptosis with GC-1 ameliorates acute lung injury

Bin Li,Jingyi Liu,Wanyu He,Yanlin Zhou,Man Zhao,Cong Xia,Xiaoyue Pan,Zhihua Ji,Ruoyu Duan,Hui Lian,Kai Xu,Guoying Yu,Lan Wang

Rationale: Acute lung injury (ALI)/acute respiratory distress syndrome (ARDS) is a critical syndrome with a mortality rate of up to 40%, and it is characterized by a prominent inflammatory cascade. The inflammasome and pyroptosis play crucial regulatory roles in regulating various inflammatory-related diseases by serving as pivotal signaling platforms for inflammatory responses and mediating the release of substantial quantities of inflammatory factors. Our previous studies confirmed that GC-1, a clinical-stage thyroid hormone analog, effectively mitigated pulmonary fibrosis by restoring mitochondrial function in epithelial cells. However, the potential effects of GC-1 on macrophage inflammasome assembly and pyroptosis in lung injury as well as the underlying mechanisms, remain unclear. Methods: The effects of GC-1 on lung injury, oxidative damage and inflammation were evaluated in two murine models of ALI (LPS- or HCl-induced models) by assessing lung pathology, the concentrations of IL-1β and IL-18 in BAL fluid, inflammasome and the levels of inflammasome- and pyroptosis-related proteins. Additionally, the impact of GC-1 on ROS-mediated inflammasome assembly and pyroptosis was investigated by examining ROS levels, Nrf2 signaling, and inflammasome adaptor protein ASC levels in mouse alveolar macrophages and human THP-1 macrophages treated with LPS and ATP. The Nrf2 inhibitor ML385 and the mitochondrial-ROS inhibitor Mito-TEMPO were used to further elucidate the effect of GC-1 on the Nrf2-p53-ASC pathway. Results: GC-1 significantly alleviated inflammation and lung injury in ALI model mice, as indicated by pulmonary pathology, inflammatory cytokine levels, ROS production and pyroptosis rates. Consistently, GC-1 inhibited ASC recruitment and oligomerization in macrophages, which suppressed the gasdermin D-mediated release of IL-1β and IL-18. These findings indicated a reduction in inflammasome assembly and pyroptosis initiation. Further research revealed that GC-1 may mitigate oxidative stress induced by mitochondrial damage through Nrf2 signaling, thereby inhibiting the expression of ROS-activated p53 and the target gene ASC. This protective effect of GC-1 could be reversed by ML385 and mimicked by Mito-TEMPO. Conclusions: This study presents a novel mechanism for treating ALI in which GC-1 inhibits macrophage ROS-mediated inflammasome assembly and pyroptosis through Nrf2-p53-ASC pathway. These findings highlight the promising potential of the use of GC-1 as an anti-inflammatory and antioxidant drug in the treatment of ALI/ARDS.

CAS / MDL: 57-55-6
研究领域: 药理学 · 免疫学 · 呼吸医学 · 炎症研究
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF SEPARATION SCIENCE · 2019 ·Vol. 42 ·期 19 ·3095-3101 · IF 2.516

Polymer phase transition characteristics coupled with GC-MS for the determination of phthalate esters

Xiaomei Chen,Ladi Xin,Yidong Xu,Jie Liu,Zhiqiang Li,Yi Wang,Jingchan Zhao

Phthalate esters are easily released from plastics materials and migrate into the soil and water environment, causing serious pollution and posing a great threat to the health of human beings. A novel temperature-sensitive extractant combined with liquid–liquid microextraction was developed to preconcentrate three phthalates in the water environment. To optimize the extraction efficiency for the three phthalate esters, various parameters, including polymer molecular weight, salt type, salt addition, adsorption time, desorption solvent, desorption volume, and desorption time have been studied. Under optimal conditions, limits of detection and limits of quantification were in the range of 0.007–0.120 and 0.021–0.350 µg/L, respectively. Linearities varied in the range of 5–1000 µg/L, with the correlation coefficients of 0.9867–0.9997. The preconcentration factors were in the range of 25–75. The relative recoveries of the three phthalate esters were in the range of 82.2–105.6% at the spiked levels. The relative standard deviations were in the range of 0.7–9.2% based on triplicate measurements. The results indicate that the temperature-sensitive material is a good extractant for phthalate esters in water samples.

CAS / MDL: 131-11-3 84-74-2 84-66-2
研究领域: 分析化学 · 环境科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF CHROMATOGRAPHY A · 2024 · IF 3.8

Discrimination of coal geographical origins through HS-GC-IMS assisted with machine learning algorithms in larceny case

Wenhui Lu,Chunli Ding,Mingshuo Zhu

The process of globalization and industrialization has resulted in a rise in the theft of coal and other related products, thereby becoming a focal point for forensic science. This situation has engendered an escalated demand for effective detection and monitoring technologies. The precise identification of coal trace evidence presents a challenge with current methods, owing to its minute quantity, fine texture, and intricate composition. In this study, we integrated machine learning with the identification of volatiles to accurately differentiate coal geographical origins through the application of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS). The topographic distribution of volatiles in coals was visually depicted to elucidate the subtle distinctions through spectra and fingerprint analysis. Additionally, four supervised machine learning algorithms were developed to quantitatively predict the geographical origins of natural coals utilizing the HS-GC-IMS dataset, and these were subsequently compared with unsupervised models. Remarkable volatile compounds were identified through the quantitative analysis and optimal Random Forest model, which offered a rapid readout and achieved an average accuracy of 100 % in coal identification. Our findings indicate that the integration of HS-GC-IMS and machine learning is anticipated to enhance the efficiency and accuracy of coal geographical traceability, thereby providing a foundation for litigation and trials.

研究领域: 法医学 · 分析化学 · 数据科学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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