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
·
代谢组学
·
生物医学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CONTROL
·
2022
·
IF 6.652
Yening Qiao,Jinfeng Bi,Qinqin Chen,Xinye Wu,Xinwen Jin,Min Gou,Xinrui Yang,Giorgia Purcaro
Baked red jujube is a common food ingredient used to enrich the nutritional value and enhance the aroma. DDMP (2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one) with intense bitterness and potential toxicity may be present in several baked red jujube-based products but there are no well-defined methods to measure it quickly, sensitively, and accurately. Headspace solid-phase microextraction with gas chromatography-tandem mass spectrometry (HS-SPME-GC-MS/MS) was applied for the analysis of DDMP. The standard curve was linear between the concentrations of 0.01 and 100 μg/mL, with a limit of detection at 0.1 ng/g that below the sensory threshold of DDMP (2.06 μg/g). Five cultivars of baked red jujubes from China were evaluated with the method for DDMP content (4.55–46.50 μg/g). The results indicated that jujube cultivars with a higher molar ratio of proline to glucose, lower moisture content, and stronger ability to resist water stress should be avoided from baking to modulate the formation of DDMP.
研究领域:
食品科学
·
分析化学
·
植物学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2024
·
IF 3.8
Qinghua Yang,Qianying Qiu,Yilan Shi,Jinxin Wang,Feng Chen,Juan Yang,Weibing Zhang,Zhen Yin
This research investigated the creation and utilization of an amino-functionalized magnetic graphene oxide (Fe₃O₄-NH₂@GO) nanocomposite as a selective sorbent for extracting and identifying strobilurin fungicides (SFs) from vegetable samples. The investigation utilized a method where magnetic solid phase extraction (MSPE) was integrated with Gas chromatography-triple quadrupole mass spectrometer (GC–MS/MS) for analysis. The physicochemical properties of synthesized sorbent were characterized using Scanning electron microscope (SEM) , Fourier infrared transform spectrum (FT-IR) , X Ray Diffraction (XRD), and vibrating sample magnetometry (VSM) techniques. The adsorption performance of Fe₃O₄-NH₂@GO aligned with the pseudo-second-order kinetics, Elovich, and Freundlich isothermal adsorption models, suggesting various interactions with SFs, including π-π interactions, hydrogen bonding, and electrostatic forces. The maximum adsorption capacity of two selected representative SFs (Picoxystrobin and E-metominostrobin) for the adsorbent were 55.85 mg/g and 47.35 mg/g, respectively. Additionally, the amino group exhibited notable potential for SFs adsorption. Parameters for MSPE, such as the quantity of sorbent, adsorption duration, eluent types and volumes, and sample pH, were optimized. Under optimal conditions, the developed method showed satisfactory performance within a range of 10 to 2000 µg L⁻¹ (R² ≥ 0.9969), low detection limits (0.01–0.080 µg/kg), high analyte recovery (80.5–104.3 %), and good precision (RSD ≤ 4.96 %, n = 6). This method is rapid, straightforward, environmentally friendly, demonstrates good sensitivity and providing a new perspectives on developing sorbents for SFs in complex food matrices. Also Fe₃O₄-NH₂@GO as a sorbent firstly used for extraction and enrichment of phenyl fungicides residues in food samples exhibits remarkable promise, thereby contributing to the advancement of pesticides residue determination methodologies.
研究领域:
分析化学
·
食品安全
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2022
·
IF 4.52
Chujun Liu,Xing Xie,Yawen Guo,Bo Wang,Kaizhou Xie,Yuhao Dong,Chenggen Yang,Zhixin Feng,Wenbin Bao
A novel, simple and high-sensitivity gas chromatography-tandem mass spectrometry (GC-MS/MS) method combined with external calibration was developed for the qualitative and quantitative determination of penicillin G residues in poultry tissues and pork. Samples were extracted by an ASE 350 apparatus with 0.2 mol/L phosphate buffer solution (pH 8.0) and purified on HLB solid-phase extraction (SPE) cartridges (60 mg/3 mL). Trimethylsilyl diazomethane (TMSD) was selected as the derivatization reagent for precolumn derivatization. The recoveries of analytes at the limit of quantitation (LOQ) and 25, 50 and 100 μg/kg ranged from 80.67% to 96.18%, with RSDs below 3.17%. The determination coefficient (R 2 ) values were above 0.9993 in the corresponding concentration range. The limits of detection (LODs) (S/N ≥ 3) and LOQs (S/N ≥ 10) ranged from 1.50 to 4.10 μg/kg and 4.50–8.20 μg/kg, respectively. In addition, the newly established method was implemented to analyze poultry tissues and pork purchased from a local market, demonstrating the sensitivity and applicability of the method.
研究领域:
分析化学
·
食品安全
·
兽医药理学
✓ 已验证
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2021
·
IF 4.952
Shihuan Li,Jinhui Li,Senwei Feng,Linlin Bian,Zhuoting Liu,Yunfang Ping,Xu Wang,Ann Van Schepdael
The presence of fatty acid esters of 3-monochloropropane-1,2-diol (3-MCPDE), 2-monochloropropane-1,3-diol (2-MCPDE) and glycidyl (GE) in foods is a potential concern due to their toxicity, especially for infants. This study proposed a rapid, sensitive and environmentally friendly method for simultaneous determination of the 3-/2-MCPDE and GE in breast milk and infant formula using headspace solid-phase microextraction (SPME) and on-fiber derivatization combined with gas chromatography-tandem mass spectrometry (GC-MS/MS). The approach proved high sensitivity with detection limits of 0.10 μg/L and 0.15 μg/kg for MCPDEs in breast milk and infant formula, respectively. Mean recoveries were obtained ranging from 79.9 to 111.2% for breast milk and from 82.1 to 106.7% for infant formula, with relative standard deviation (RSD) of less than 9.5%. According to the levels of 3-MCPDE and GE determined in 30 breast milk and 23 infant formulas, the exposure to 3-MCPDE and GE may pose a potential health risk for infants from birth to <12 months fed by breast milk and infants from birth to 6 months fed by infant formula.
研究领域:
食品安全
·
分析化学
·
毒理学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2020
·
IF 4.244
Meng Pan,Qicheng Lei,Hong Zhang
Screening of active ingredients in plants is critical for the development of medicinal plants. As a traditional medicinal material, Eucalyptus globulus Labill leaves are regarded as a potential raw material that can be developed as a pesticide because of its original activity. This study proposes a molecular docking assisted UPLC-MS/MS, GC–MS/MS method for the identification and prediction of insecticidal ingredients in the extracts of Eucalyptus globulus leaves. The extracts of Eucalyptus globulus leaves were analyzed by UPLC-MS/MS, GC–MS/MS, 34 aqueous ingredients and 35 volatile ingredients were identified. The identified ingredients were docked with repellent receptor (2KSL). The results showed that protocatechuic acid had strong 2KSL inhibitory activity, which was presumed to be the main reason for the inhibition of 2KSL. Finally, the antifeedant experiment of protocatechuic acid on Henosepilachna vigintioctopunctata (Fabricius) was carried out. The results indicate that the method can effectively screen the active ingredients from the medicinal plants.
研究领域:
植物学
·
药理学
·
昆虫学
✓ 已验证
产品关联
DOI
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Jinjie Hua,Xizhe Zhu,Wen Ouyang,Yaya Yu,Ming Chen,Jinjin Wang,Haibo Yuan,Yongwen Jiang
Withering is the first and key process that influences tea quality, with light quality being a key regulatory factor. However, effects of withering light quality (WLQ) on transformation and formation pathways of tea aroma and volatile metabolites (VMs) remain unclear. In the present study, four WLQs were set up to investigate their effects on tea aroma and VMs. The results showed that blue and red light reduced the grassy aroma and improved the floral and fruity aroma of tea. Based on GC–MS/MS, 83 VMs were detected. Through VIP, significant differences, and OAV analysis, 13 key differential VMs were screened to characterize the differential impacts of WLQ on tea aroma. Further analysis of the evolution and metabolic pathways revealed that glycoside metabolism was the key pathway regulating tea aroma through WLQ. Blue light withering significantly enhanced glycosides hydrolysis and amino acids deamination, which was beneficial for the enrichment of floral and fruity VMs, such as geraniol, citral, methyl salicylate, 2-methyl-butanal, and benzeneacetaldehyde, as well as the transformation of grassy VMs, such as octanal, naphthalene, and cis -3-hexenyl isovalerate, resulting in the formation of tea floral and fruity aroma. The results provide theoretical basis and technical support for the targeted processing of high-quality tea.
研究领域:
农业科学
·
食品科学
·
植物生理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
TALANTA
·
2019
·
IF 4.916
Yue-Hong Pang,Qi Yue,Yu-ying Huang,Cheng Yang,Xiao-Fang Shen
Phthalate esters (PAEs), a category of widely used plasticizers , are tend to migrate from plastic packaging to drinks. In this paper, we develop a simple and rapid coprecipitation method for synthesis of a magnetic covalent organic framework (COF) adsorbent. The fabricated COF-(TpBD)/Fe 3 O 4 was applied to magnetic solid phase extraction (MSPE) of 15 phthalate esters (PAEs) for subsequent GC-MS/MS determination in beverage samples. The as-synthesized magnetic adsorbent exhibited great potential in PAEs analysis with a limit of detection of 15 PAEs ranged from 0.005 to 2.748 μg L −1 (S/N = 3). The intra-day and inter-day relative standard deviations (RSD) value of the PAEs were less than 8.8% and 9.9%, respectively. The adsorbent can be reused after washing with methanol. The developed method was successfully applied for the determination of trace PAEs in eight beverages with recoveries ranging from 79.3% to 121.8% and RSDs were less than 11.9%. This work provides a simple magnetization process, which facilitates the application of COFs for enrichment and separation of PAEs in beverages with different matrices.
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
RSC Advances
·
2025
·Vol. 15
·期 50
·42354-42363
·
IF 4.6
Hongjing Yang,Jiandong Zhang,Chen Liu,Kai Song,Yunzhen Gao,Jinbin Wei,Yanling Liu,Zhipeng Zang,Zhen Wang
In this work, a novel classification model for flue-cured tobacco aroma types is presented by integrating chemometric modeling with quantitative aroma component analysis. Three representative types of flue-cured tobacco samples were selected for their distinct flavor profiles and commercial importance. Sensory characteristics were quantified by descriptive analysis of a trained panel. Gas chromatography-triple quadrupole tandem mass spectrometry (GC-MS/MS) was employed to rapidly identify the aroma components. The aroma types of flue-cured tobacco were studied using correlation analysis, hierarchical clustering, principal component analysis (PCA), and discriminant analysis. In total, 31 aroma components of flue-cured tobacco were identified by GC-MS/MS. Each flue-cured tobacco sample was first assigned an aroma style based on geographical origin and subsequently corroborated by the descriptive panel. Correlation analysis successfully identified compounds related to aroma substances and the descriptive analysis indices of flue-cured tobacco. Cluster analysis cleanly segregated the samples into the three predefined aroma types. Six principal components were extracted from the PCA to construct the discriminant model. Internal and cross-validation both confirmed the discriminant model's reliability and accuracy. This study evaluated the potential of using tobacco aroma components to distinguish and classify flue-cured tobacco aroma types.
研究领域:
分析化学
·
食品科学与技术
·
化学计量学
·
香气与风味化学
·
烟草科学
✓ 已验证
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Yunxiao Zhu,Yang Liu,Qiu Sun,Jia Chen,Mengling Tu,Yehua Han,Xianjiang Li
Free short-chain fatty acids (FSCFAs) are recognized as essential nutrients in infant formula. This study aims to develop a rapid, sensitive, and efficient method for analyzing seven FSCFAs in infant formula. The sample preparation process utilized an acetonitrile-anhydrous magnesium sulfate system for the FSCFAs extraction. The enriched FSCFAs were derivatized using butanol-acetyl chloride to enhance stability and chromatographic separation. Analysis of the resulting fatty acid butyl esters (FABEs) was performed using gas chromatography-tandem mass spectrometry (GC–MS/MS). Under optimized conditions, the chromatographic method achieved baseline separation of seven FABEs within 14.8 min, demonstrating excellent linearity and reproducibility. The limits of detection and quantification ranged from 12.0 to 34.9 ng/g and 40.0 to 116.5 ng/g, respectively. In the tested real samples, six FSCFAs were successfully detected. These findings provide a scientific basis for optimizing the nutritional composition of infant formula and improving its similarity to human milk.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
POLYMER
·
2024
·
IF 4.1
Sitong Liu,Jie Yi,Rui Dai,Meng Wai Woo,Zhulian He,Hui Chen
In this work, the migration of urea and/or formamide plasticizers in crosslinked starch/polyvinyl alcohol (PVA) films under UV irradiation has been accurately quantified by using a combination of GC-MS/MS and UV–Vis analysis. The crosslinked starch/PVA films, prepared with different amide plasticizers (urea, formamide, urea-formamide), were characterized via scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry (DSC), and X-ray photoelectron spectroscopy (XPS). After 7 days of UV irradiation, the starch/PVA film plasticized with urea-formamide (A 7 -SPF-UF) exhibited a flat surface morphology, high crystal stability, and highest thermal stability. The migration ratio of urea and formamide for A 7 -SPF-UF was also quantified to be 3.2 % and 4.5 %, respectively, using GC-MS/MS and UV–Vis analysis, indicating optimal migration resistance. The synergistic effect of urea and formamide as plasticizers built the dense network structure of A n -SPF-UF and improved the UV aging resistance, toughness and durability of the film. On one hand, this enhances the market competitiveness of the products; on the other hand, it promotes the development of environmentally friendly materials, aligning with sustainability requirements.
研究领域:
材料科学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
MICROCHIMICA ACTA
·
2019
·Vol. 186
·期 3
·1-9
·
IF 5.479
Fan Yu-Han,Mou Xiao-Xuan,Qin Shi-Bin,Li Xiao-Shui,Qi Shi-Hua
A new application of MOFs as adsorbents in the cleanup procedure of polycyclic aromatic hydrocarbons (PAHs) in soils was explored. Four MOFs, specifically MIL-101(Cr), MIL-125(Ti), MIL-100(Fe) and UiO-66(Zr), were synthesized and characterized. A screening study was carried out to select the best adsorbent for the purification of sixteen PAHs in complex soil extract. It is found that the nature of metal ion, pore size, surface area and surface charge affect the purification efficiencies of the various MOFs. MIL-101(Cr) was then selected because of its best purification efficiency. The effects of amount of adsorbent, cleanup solvent and cleanup time on cleanup efficiency were investigated. Under the optimum conditions, the matrix effect of the target analytes was reduced by more than 65%. The method was then combined with ultrasonic extraction and quantitation by gas chromatography with triple quadrupole mass spectrometric detection. The method allows for the determination of PAHs in soils with linear in the range of 5–5000 ng g −1 and with LODs between 50 and 420 pg g −1 . The method was applied to the analysis of (spiked) soil samples, and results compared well with the established EPA method.
Schematic presentation of metal organic frameworks (MOF) as cleanup adsorbents for purifying polycyclic aromatic hydrocarbons in soil organic matter (SOM) and further determined by gas chromatography with triple quadrupole mass spectrometry detection (GC-MS/MS).
研究领域:
环境科学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）