Food Chemistry-X
·
2023
·
IF 6.1
Jincheng Li,Ruidong Zhou,Guangxin Yang,Essy Kouadio Fodjo,Tengwang Feng,Huiwu Sun,Dongmei Huang,Cong Kong,Huan Liu
In this study, a novel filter-press cleanup column was developed as a single-step cleanup approach for the rapid screening and quantification of 112 veterinary drugs in fish samples. Fish muscle samples were extracted with acetonitrile and ethyl acetate, sequentially. After concentration and reconstitution, N -propylethylenediamine (PSA) sorbent, packed in filter-press column, allows rapid single-step cleanup operation, while UHPLC-Q-Orbitrap-HRMS provides high-precision mass information in multi-residue screening. Under optimum settings, the detection and quantification limits were validated at 0.5 and 2.0 μg·kg −1 , for all analytes, respectively. The ranges of recoveries were from 35.3 to 138.4%. Most of these target analytes (82%) could be measured with recoveries between 60 and 130%, and intra-day RSDs ranging from 1.9 to 26.1%. This method was further applied to evaluate the residual of veterinary drugs in fish samples from four cities in China, and results demonstrated its practicability for multi-residue monitoring veterinary residues for food safety administration.
研究领域:
分析化学
·
食品科学
·
环境科学
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DOI
PubMed
高影响因子
FUEL
·
2022
·
IF 8.035
Yang-Chao Zhang,Xing Fan,Fei Wang,Chu-Fan Wang,Guo-Sheng Li,Yang-Yang Xu,Wen-Long Mo,Xian-Yong Wei,Feng-Yun Ma
Two coal samples with different coalification degrees were extracted by ultrasonic extraction (UE), thermal dissolution (TD) at 300 °C, and ultra-high pressure extraction (UHPE) at 300 MPa using three solvents, methanol, toluene and acetone. Orbitrap mass spectrometry (MS) was used to analyze coal extracts and molecular characteristics were further elucidated by in-source collision activated dissociation, a tandems MS method. UHPE exhibited an excellent extraction yield, which is related to the acquirement of compounds with long-chain structures. Unlike UE and TD, more compounds containing 3 to 4 oxygen atoms per molecule were extracted by UHPE method. Oxygen distribution index indicates most oxygen atoms in UHPE extract exist on the side chains of aromatic structures. Therefore, advanced separation method reveals that multiple oxygen-containing functional groups (3 and 4 oxygen atoms) on side chains should be the major structure of organic oxygenates in low-rank coals, which is a new knowledge of coal chemistry.
研究领域:
煤化学
·
分析化学
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DOI
高影响因子
JOURNAL OF FOOD QUALITY
·
2024
·
IF 2.6
Menglu Yang,Yuan Mei,Haimei Lai,Yali Wang,Yuli Huang,Xueqing Zeng,Lihong Ge,Nan Zhao
Hotpot provides a multilevel unique flavor experience and is preferred by consumers who value various taste preferences. In the present study, results showed that alcohols, phenols, hydrocarbons, and others were the commonly predominant volatiles in all butter hotpot samples (74.43%∼92.92%). However, there were merely 25 codetected compounds determined among a total of 318 aroma compounds because of the discrepant ingredients and processing technique of hotpot samples, which were sampled from several representative manufacturers. Therefore, for the first time, multiple GC-Q-TOF/MS and GC-Orbitrap-MS methods were performed to explore the more 44 potential aroma compounds of butter hotpot, in which alpha-terpinyl, acetate, nonanal, piperitone, and (E)-lignstilde could further cause the differences in flavor intensity of spices aroma, smell of grease, and roasted, charred, and nutty (). Linalool and nerol were the critical flavor precursors associated with ingredients and processing technic. Therefore, these results provide guidance for improving the butter hotpot formula and process technique.
研究领域:
食品科学
·
分析化学
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DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2025
·
IF 2.8
Changhai Sun,Mengxin Xiao,Biyue Cui,Liting Mu,Shuting Zhang,Xinran Zhang,Shushuang Shen
In the current research on Scutellaria baicalensis, a substantial number of flavonoid isomers were identified. Given the limitations of existing analytical methods to accurately identify these isomers, the present study was conducted to determine the flavonoid isomers in Scutellaria baicalensis by combining the mass spectrometry database and stepwise multiple linear regression QSRR model of flavonoids established by the research group in the previous phase. The UHPLC-Q-Exactive Orbitrap-MS technique with isocratic elution injection was employed, and compositional analysis of Scutellaria baicalensis was conducted utilizing the mass spectrometry database to identify two groups of flavonoids and their isomers. The QSRR model was calibrated using standards, and the two groups of flavonoids and their isomers in Scutellaria baicalensis were distinguished and identified utilizing the QSRR model and calibration equation. In this investigation, two groups of flavonoids and their isomers in Scutellaria baicalensis were successfully identified and differentiated. The findings suggest that this QSRR model can be utilized to identify flavonoid isomers, providing a viable method for differentiating isomers of chemical components.
研究领域:
植物化学
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分析化学
·
药学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2021
·Vol. 10
·期 11
·2765
·
IF 4.35
Fanghua Guo,Rong Tsao,Chuyao Li,Xiaoya Wang,Hua Zhang,Li Jiang,Yong Sun,Hua Xiong
As a processing by-product, green pea hull (GPH) was found to be rich in phenolic components in our previous studies. In this study, UHPLC-LTQ-OrbiTrap-MS (Ultra performance liquid chromatography-linear ion trap orbitrap tandem mass spectrometry) technique was used to quantify polyphenols, and DSS (sodium dextran sulfate)-induced colitis mouse model was established to explore the effect of GPH extracts on colitis. The results showed that quercetin and its derivatives, kaempferol trihexanside and catechin and its derivatives were the main phenolic substances in the extract, reaching 2836.57, 1482.00 and 1339.91 µg quercetin/g GPH extract, respectively; GPH extracts can improved inflammatory status, repaired colonic function, regulated inflammatory factors, and restored oxidative balance in mice. Further, GPH extracts can activate Keap1-Nrf2-ARE signaling pathway, regulate downstream antioxidant protease and gut microbiota by increasing F/B value and promoting the growth ofLactobacillaceaeandLachnospiraceae, and improve the level of SCFAs (short-chain fatty acids) to relieve DSS-induced colitis in mice. Therefore, GPH may be a promising dietary resource for the treatment of ulcerative colitis.Keywords:polyphenols;colitis;UHPLC-LTQ-OrbiTrap-MS;GPH extracts;Keap1-Nrf2;gut microbiota
研究领域:
药理学
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营养学
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免疫学
·
微生物学
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DOI
PubMed
高影响因子
Frontiers in Pharmacology
·
2020
·
IF 4.225
Wang Xiao-Shuang,Sun Zhi,Liu Li-Wei,Du Qiu-Zheng,Liu Zhang-Suo,Yang Yan-Jie,Xue Peng,Zhao Hong-Yu
Background: Oral lichen planus (OLP) is a T-cell-mediated chronic inflammatory disorder and precancerous oral lesion with high incidence. The current diagnostic method of OLP is very limited and metabolomics may provide a new approach for quantitative evaluation.Methods: The Ultra-Performance Liquid Chromatography-Quadrupole/Orbitrap High Resolution Mass Spectrometry (UHPLC-Q-Orbitrap HRMS) was applied to analyze the change of metabolites in serum of patients with OLP. A total of 115 OLP patients and 124 healthy controls were assigned to either a training set (n = 160) or a test set (n = 79). The potential biomarkers and the change of serum metabolites were profiled and evaluated by multivariate analysis.Results: Totally, 23 differential metabolites were identified in the training set between OLP group and healthy group. Three prominent metabolites in receiver operating characteristic (ROC) were selected as a panel to distinguish OLP or healthy individuals in the test set, and the diagnostic accuracy was 86.1%.Conclusions: This study established a new method for the early detection of OLP by analyzing serum metabolomics using UHPLC-Q-Orbitrap HRMS, which will help in understanding the pathological processes of OLP and identifying precancerous lesions in oral cavity.
研究领域:
医学
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代谢组学
·
病理学
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DOI
PubMed
高影响因子
Journal of Pharmaceutical Analysis
·
2025
·
IF 8.9
Yuxuan Li,Zhenggen Piao,Songze Wang,Longhai Cui,Xinyan Li,Jinlong Ma,Chengqiang Han,Xi-Ling Li,Toufeng Jin,Jun Zhe Min
Colorectal cancer (CRC) is a prevalent gastrointestinal malignancy. However, the lack of diagnostic accuracy of traditional clinical serum biomarkers carcinoembryonic antigen (CEA) and Cancer antigen 19-9 (CA19-9) results in patients being diagnosed at an advanced stage. Herein, we developed a novel method of ultrahigh-performance liquid chromatography coupled to quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) for relative quantification based on the non-specific enzyme pronase E and an isotope mass spectrometry probe d0/d5-BOTC to screen novel glycan biomarkers. We applied the method in a cohort of 102 serum samples (including 51 healthy volunteers (HV), 26 stage II CRC, and 25 stage III CRC) and 90 tissue samples (including 45 paracancerous tissue and 45 cancerous tissue). Results revealed that the serum levels of H5N4F, H5N4F3SA, H4N5F1SA, and H5N4SA2 in CRC patients were significantly different from those in HV ( p < 0.01). The area under the curve values of H5N4F, H5N4F3SA, and H4N5F1SA in serum samples were 0.77, 0.71, and 0.91, respectively. The clinical diagnostic accuracies of these glycans ranged from 65% to 91%, which were significantly higher than those of CEA. Additionally, differential glycan profiles in tissues were further examined using the same method and compared with serum levels. H5N4F was found to be significantly down-regulated in all CRC groups ( p < 0.0001), indicating strong specificity for CRC diagnosis. The glycans identified in this study are expected to serve as potential biomarkers for the early diagnosis of CRC, offering valuable reference points for clinical diagnosis and treatment.
研究领域:
医学
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生物化学
·
肿瘤学
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2025
·Vol. 39
·期 2
·e6060
·
IF 1.7
Chen Wang,Xueying Qin,Ying Wang,Weiping Wang,Shuai Sun,Hongsen Wang,Shiyu Li,Xiao Dai,Xianhong Zhu,Xun Gao,Kunming Qin,Qing Zhang
Choerospondias axillaris is a medicinal plant used for treating coronary heart disease (CHD) due to its broad spectrum of anti-inflammatory activities. Cyclooxygenase 2 (COX-2) and lipoxygenase 5 (5-LOX) were immobilized on magnetic nanoparticles for selective ligand-extraction of these two enzymes present in C. axillaris . Sixteen extracted components were identified and analyzed using ultraperformance liquid chromatography plus Q-Exactive Orbitrap tandem mass spectrometry (UHPLC-Q-ExactiveOrbitrap-MS/MS), including flavonoids Curcumin and Epicatechin. The metabolization of the aforementioned 16 components in rats with acute blood stasis indicated a solid pharmacodynamic foundation. This method offers an effective approach for conducting basic research on the enrichment, analysis, and efficacy evaluation of active components in complex natural products.
研究领域:
药理学
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分析化学
·
天然产物研究
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DOI
PubMed
高影响因子
APPLIED GEOCHEMISTRY
·
2025
·
IF 3.4
Zhao Wei,Baoying Wang,Longchen Zhu,Yihang Hong,Zhenfei Wang,Hao Yan,Yongbo Peng,Shohei Hattori,Huiming Bao
Phosphate oxygen isotope composition ( δ 18 O(PO 4 3− )) provides critical insights into the sources and transformation processes of phosphorus in aquatic environments. However, the low PO 4 3− concentration (<1 μM) in natural freshwater necessitates large sample volumes (25–100 L) and tedious procedures in the conventional δ 18 O(PO 4 3− ) analysis method that uses thermal conversion/elemental analysis linked to a gas–source isotope-ratio mass spectrometer (TC/EA–IRMS). Here, we report a method for analyzing δ 18 O(PO 4 3− ) using sub-liter volumes (∼1 L) of freshwater. The approach uses a well-established zirconium-oxide-gel method to adsorb dissolved PO 4 3− , followed by purification of PO 4 3− via anion exchange resin and isotope measurement by Electrospray Ionization Orbitrap Mass Spectrometry (ESI–Orbitrap–MS). The whole pretreatment procedure results in a δ 18 O(PO 4 3− ) accuracy of ±0.8 ‰, within the analytical uncertainty of the ESI–Orbitrap–MS measurement. Calibration with TC/EA–IRMS produced nearly a 1:1 regression (slope 0.96, residual <0.9 ‰). Tests on freshwater samples from a natural lake achieved an accuracy of ±0.3 ‰. The method reduces sample volume by three orders of magnitude compared to the TC/EA–IRMS method, opening up opportunities to trace PO 4 3− cycling and source apportionment in an unprecedented temporal and spatial resolution.
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产品关联
DOI
高影响因子
ANALYTICAL CHEMISTRY
·
2026
·
IF 7.3
Kesi Yang,Longchen Zhu,Yihang Hong,Yongbo Peng,Hao Xie
The hydrogen isotope composition (δ2H) of fatty acids is a promising proxy for tracing cellular metabolic pathways and rates and for cancer diagnosis. However, conventional methods based on gas chromatography-isotope ratio mass spectrometry (GC-IRMS) could only measure molecular-average isotopic values, obscuring position-specific variations that could be more sensitive to metabolisms. To perform position-specific hydrogen isotope analysis (PSIA) of fatty acids, we used a GC-Orbitrap (Exploris 240 GC) to acquire isotopologue ratios of two fragment ions, 12C42H1H616O2+/12C41H716O2+ and 12C52H1H816O2+/12C51H916O2+, in methyl esters of palmitic acids. To allow longer acquisition of isotopologue ratios of each sample analysis, we added a custom peak-broadening system composed of two four-port switch-valves and a passivated sample loop. This peak broadener is installed between the chromatographic column and the MS transfer line and enables precise capture and release control of target compounds, allowing 12 min stable release of the eluate. Each analysis consumes only 7.6 nmol of sample and reaches experimental precision of 5.4‰ for C4H7O2+ and 8.8‰ for C5H9O2+ (1 standard deviation of 5 analyses). Using palmitic acid labeled with one 2H atom in the 12th position, we found negligible hydrogen scrambling. Also, label-addition experiments allow us to compare whole-molecule δ2H measurements using GC-IRMS with those from GC-Orbitrap, and we obtained a near-precise match with a correlation slope of 1.044 across a composition range of −223–418‰. We establish a method for position-specific δ2H measurement of fatty acids on nanomolar sample quantities, opening possibilities for new geological, environmental, and medical applications.
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DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2021
·
IF 4.759
Shuping Hu,Min Zhao,Zhongle Wang,Jiaying Yang,Dawei Chen,Pengcheng Yan
A simple extraction procedure coupled with liquid chromatography-Q Orbitrap high resolution mass spectrometry (LC-Q Orbitrap HRMS) for the determination of 19 quinolones in animal-derived foods (pork, fish, egg and milk) has been developed. Sample preparation is based on homogeneous liquid-liquid extraction at pH > 9 using water-miscible acetonitrile with cold-induced phase separation. The procedure allowed one-step enrichment and cleanup of all the 19 quinolones with different logP properties to lower aqueous phase, which eliminated the process of preconcentration and re-dissolution for sample solution. Furthermore, an adsorption phenomenon was observed between conventional borosilicate glass injection vials and most of quinolones. In detection analysis, a scheduled variable full scan strategy was performed to improve detection performance in Q Orbitrap HRMS. Under optimal conditions, a superior limit of quantitation (0.028–0.192 μg/kg) in animal-derived foods was achieved using this proposed method. Lastly, this method was validated and applied successfully in real samples.
研究领域:
分析化学
·
食品安全
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DOI
PubMed
高影响因子
Journal of Oleo Science
·
2025
·
IF 1.8
Lin Gu,Yuan Gao,Wenxin Li,Jianing Liu,Danyang Wang,Yongjie Chi,Jing Zhang,Qingyan Gai,Habiba Nazir,Qingye Jia,Huimei Wang,Lianyan Wang
Ozonized sunflower oil has been found to have a valuable antimicrobial activity against bacteria, viruses, and fungi. However, delayed cutaneous wound healing, severe adverse skin reactions such as pain, burns, irritation, and unsatisfactory storage stability have limited its clinical use as it is known that the performance of ozonized sunflower oil is reflected by core indicators such as iodine value (IV), peroxide value (PV), and acid value (AV). Aiming to improve the above characteristics, ozone oxidation conditions such as the oil water content of raw materials, stirring speed, and ozonized time were successfully optimized, and the optimized conditions were 5%, 300 rpm, and 6 h, respectively. Additionally, the UHPLC-Q-Exactive Orbitrap MS was used to identify the compounds of sunflower oil and ozonation sunflower oil, and 10 fatty acids were successfully identified. The results clearly indicated that the ozonized sunflower oil prepared under optimized ozonation conditions achieved a high degree of ozonation (II) and a satisfactory PV/AV ratio. These optimized conditions further proved to be valuable in improving not only the storage stability of ozonized sunflower oil for up to six months but also in ensuring its remarkable antimicrobial effects on Staphylococcus aureus and Candida albicans, with a PV of 165.75 mmol/kg achieving a 100% antibacterial efficacy.
研究领域:
微生物学
·
药物化学
·
生物医学工程
·
皮肤病学
·
天然产物研究
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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）