MOLECULES
·
2024
·Vol. 29
·期 3
·567
·
IF 4.2
Yayun Guo,Zhe Wang,Yi He,Huanhuan Gao,Hongmei Shi
Aspergillus carbonariusis known to produce the carcinogenic ochratoxin A (OTA) in grapes. The metabolism process before OTA biosynthesis influences the content and composition of the volatile compounds in grapes. In this study, a self-established method based on QuEChERS coupled with high-performance liquid chromatography–fluorescence detection (HPLC-FLD) was used to determine the OTA levels during a seven-day contamination period. The results showed that OTA was detected on the second day after contamination withA. carbonarius. Thus, the first day was considered as the critical sampling timepoint for analyzing the volatiles in grapes before OTA biosynthesis. Additionally, the volatile compounds in grapes were analyzed using headspace solid-phase microextraction gas chromatography–mass spectrometry (HS-SPME-GC-MS) and dispersive liquid–liquid microextraction gas chromatography–mass spectrometry (DLLME-GC-MS). The corresponding data were evaluated via multivariate data analysis using projection methods, including PCA and OPLS-DA. The results indicated significant differences in the nine volatile compounds in grapes contaminated withA. carbonariusbefore OTA biosynthesis. The results of the Pearson correlation analysis showed positive correlations between ethyl acetate, styrene, 1-hexanol and OTA; (E)-2-hexenal and nerolic acid were negatively correlated with OTA. Overall, these findings provide a theoretical basis for the early prediction of OTA formation in grape and grape products using GC-MS technology.Keywords:volatile compounds;Ochratoxin A;QuEChERS-HPLC-FLD;HS-SPME-GC-MS;DLLME-GC-MS;OPLS-DA
研究领域:
食品科学
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真菌学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ANALYTICAL CHEMISTRY
·
2022
·Vol. 77
·期 3
·361-368
·
IF 1.237
Xue Liming,Xu Jiale,Feng Chao,Lu Dasheng,Zhou Zhijun
Abstract It is a challenge to perform target screening of metabolites on a large scale in metabolomics study using gas chromatography with mass spectrometry ( GC-MS ). Some metabolites can hardly be detected and identified in biosamples due to their low MS response or poor specificity. Moreover, synthesis and degradation of derivatized metabolites in samples made it difficult to achieve fine method stability. Our method screens 475 metabolites in a single run using GC-MS/MS in MRM mode, and both internal standard and quality control-based normalization strategies were used to correct the peak intensity. A total of 91 and 161 metabolites were detected in plasma and urine, respectively. The method was validated to have fine linearity range and intra-day and inter-day stability. The method was applied to a pilot study, and this study investigated the metabolic perturbation in rats after fluorochloridone ( FLC ) administration. 18 metabolites exhibited statistical significance in rat urine, and they were confirmed to be associated with FLC treatment, where the upregulation of glucose, lactose, and galactose is potentially linked to oxidative stress reaction. This study has proved its value in large-scale detection of metabolites in biosamples using GC-MS/MS with high sensitivity, specificity, and stability. We hope that our study can promote the GC-MS-based metabolomics studies.
研究领域:
分析化学
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代谢组学
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生物医学
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产品关联
DOI
高影响因子
Frontiers in Bioscience-Landmark
·
2023
·Vol. 28
·期 7
·145
·
IF 3.1
Cheng Chen,Xiaoxiao Meng,Yong Zhu,Jiaxiang Zhang,Ruilan Wang
Background: Early identification of sepsis improves the survival rate; however, it is one of the most challenging tasks for physicians, especially since symptoms are easily confused with those of systemic inflammatory response syndrome (SIRS). Our aim was to explore biomarkers for early identification of sepsis that would aid in its differential diagnosis. Methods: Eight patients with SIRS, eight with sepsis, and eight healthy controls were included in this study. Metabolites were screened using gas chromatography-mass spectrometry (GC-MS). Metabolism profiles were analyzed using the untargeted database of GC-MS from Lumingbio (LUG) database, and metabolic pathways were enriched based on the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. The S-plot was used to screen the potential biomarkers distinguishing between patients with SIRS, sepsis, and healthy controls. Receiver operating characteristic (ROC) curve analysis was used to evaluate potential biomarkers between SIRS and sepsis patients. Correlation analysis was used to measure the degree of correlation between differential metabolites. Correlation analysis between 2-deoxy-d-erythro-pentofuranose-5-phosphate and clinical indicators was performed. Results: There were 51 metabolites that were distributed in the SIRS group, and they were enriched with 18 metabolic pathways compared with healthy controls. Moreover, 63 metabolites in the sepsis group were significantly distinguishable compared to the healthy controls, and were associated with 21 metabolic pathways. Methyl 3-o-acetyl-d-galactopyranoside and N-acetylputrescine were found to be candidate biomarkers for distinguishing between SIRS, sepsis, and healthy controls using the S-plot model. Only four differential metabolites, including 2-deoxy-d-erythro-pentofuranose-5-phosphate, terbutaline, allantoic acid, and homovanillic acid (HVA), were enriched in the dopaminergic synapse and tyrosine metabolism pathways when sepsis patients were compared with SIRS patients. The Area Under Curve (AUC) of 2-deoxy-d-erythro-pentofuranose-5-phosphate was 0.9297, indicating a strong diagnostic ability for sepsis. A significant negative correlation was identified between 2-deoxy-d-erythro-pentofuranose-5-phosphate and lactate (r = –0.8756, p = 0.0044). Conclusions: Methyl 3-o-acetyl-d-galactopyranoside and N-acetylputrescine may be used as candidate biomarkers to distinguish SIRS and sepsis patients from healthy controls using GC-MS. 2-deoxy-d-erythro-pentofuranose-5-phosphate may be the candidate biomarker to distinguish sepsis from SIRS. Our study explored candidate biomarkers for the early identification of sepsis, which is vital for improving its prognosis.
研究领域:
医学
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代谢组学
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临床诊断
✓ 已验证
产品关联
DOI
PubMed
高影响因子
International Journal of Analytical Chemistry
·
2015
·
IF 1
Nai-Dong Chen,Nai-Fu Chen,Jun Li,Cai-Yun Cao,Jin-Mei Wang,He-Ping Huang
GC-MS method combined with FTIR techniques by the analysis of polysaccharide was applied to evaluate the similarity between wild (W) and tissue-cultured (TC) Dendrobium huoshanense (DHS), Dendrobium officinale (DO), and Dendrobium moniliforme (DM) as well as 3 wild Dendrobium spp.: Dendrobium henanense (DHN), Dendrobium loddigesii (DL), and Dendrobium crepidatum (DC). Eight monosaccharides involving xylose, arabinose, rhamnose, glucose, mannose, fructose, galactose, and galacturonic acid were identified in the polysaccharide from each Dendrobium sample while the contents of the monosugars varied remarkably across origins and species. Further similarity evaluation based on GC-MS data showed that the values of different origins of DHS, DO, and DM were 0.831, 0.865, and 0.884, respectively, while the values ranged from 0.475 to 0.837 across species. FTIR files of the polysaccharides revealed that the similarity coefficients between W and TC-DHS, DO, and DM were 88.7%, 86.8%, and 88.5%, respectively, in contrast to the similarity coefficients varying from 57.4% to 82.6% across species. These results suggested that the structures of polysaccharides between different origins of the investigated Dendrobiums might be higher than what we had supposed.
研究领域:
植物化学
·
药用植物学
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DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2016
·Vol. 408
·期 17
·4661-4667
·
IF 3.125
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
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分析化学
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毒理学
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DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2025
·
IF 8
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
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ENERGY & FUELS
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2022
·
IF 4.654
Yang Xu,Yudi Zhao,Xuan Guo,Yunming Fang
Co-processing of bio-oil and petroleum-derived feed in a fluid catalytic cracking process of a refinery is considered to be one of the most potential bio-liquid fuel preparation technologies. The detailed qualitative and quantitative analysis of the oxygenates in the co-cracking products facilitates optimization of the subsequent processing. In this study, an in-depth characterization of trace oxygenates from home-made co-processing liquid products in a fluid catalytic cracking (FCC) pilot plant unit at different bio-oil water-soluble phase (BOWS)/vacuum gas oil (VGO) mass blending ratios (0/100, 10/90, 20/80) at different reaction temperature (500 and 525 °C) was performed with quantitative and qualitative comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS). An internal standard method with the internal standard 1,1,3,3-tetramethoxypropane was used to quantify trace oxygenates, which was selected from the qualitative analysis of the co-processing liquid products. The results showed that the contents of phenols and benzofurans in the liquid products from co-processing were low and the addition of BOWS was beneficial to improve the co-processing conversion, reduce the coke yield, but reduce the gas products and gasoline yield. The deoxygenation of catalytic cracking for oxygenates also weakened with the increase of bio-oil addition. The increase of reaction temperature can strengthen the deoxygenation of catalytic cracking, but the excessively high temperature can strengthen the thermal cracking reaction and reduce the gasoline yield.
研究领域:
能源化学
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分析化学
✓ 已验证
DOI
高影响因子
JOURNAL OF STORED PRODUCTS RESEARCH
·
2024
·
IF 2.7
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
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植物化学
·
害虫防治
✓ 已验证
产品关联
DOI
高影响因子
BIORESOURCE TECHNOLOGY
·
2011
·
IF 4.365
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.
研究领域:
化学工程
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能源科学
·
计算化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Analytical Methods
·
2025
·
IF 2.6
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
JOURNAL OF SEPARATION SCIENCE
·
2019
·Vol. 42
·期 19
·3095-3101
·
IF 2.516
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.
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
Analytical Methods
·
2025
·
IF 2.6
Desen Su,Yunyun Zheng,Minmin Huang,Ziqiang Chen,Lisong Chen,Meizhen Chen,Qinghua Yao
Depending on the manufacturing process, Tieguanyin tea (TGY) is classified into three main groups, light flavor type (LFT), heavy flavor type (HFT), and stale flavor type (SFT). However, the compositions and contents of volatile compounds among TGY types were still unclear. This study aimed to develop an efficient method for the nonselective determination of volatile compounds in teas via direct-headspace injection coupled with gas chromatography mass spectrometry (DHI-GC-MS), and to perform a comprehensive comparison among these teas. One hundred and twelve volatile compounds belonging to 9 classes were identified. Among them, 33 common volatiles from 4 categories (aldehydes, alcohols, ketones, and acids) were the dominant volatiles and accounted for 71.5%, 73.0%, and 71.8% of the total amount in LFT, HFT, and SFT, respectively. E-Nerolidol, ethanol, acetic acid, and some volatiles with five and six-carbon chains were the key chemicals to distinguish three different TGY teas. With PLS-DA analysis, distinct differences among different groups were observed. The results generated from this study may offer valuable insights for better grading of TGY teas.
研究领域:
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）