JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2024
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IF 3.1
Yuan Li,Yan Zhao,Xuan Niu,Qianqian Zhu,Xiehe Wang,Song Li,Jun Sun,Su Hua,Liwei Yang,Weifeng Yao
Rhubarb, a widely used traditional Chinese medicine (TCM), is primarily used for purging in practice. It is derived from the dried roots and rhizomes of R. tanguticum Maxim. ex Balf. (RT), Rheum officinale Baill. (RO) and R. palmatum L. (RP). To date, although the three varieties of rhubarb have been used as the same medicine in clinical, studies have found that they have different chemical compositions and pharmacological effects . To ensure the stability of rhubarb for clinical use, a simple and effective method should be built to compare and discriminate three varieties of rhubarb. Here, ultra-performance liquid chromatography-diode array detection (UPLC-DAD) fingerprints combined with chemometric methods were developed to evaluate and discriminate 29 batches of rhubarb. Similarity evaluation, hierarchical cluster analysis (HCA) and principal component analysis (PCA) showed that the chemical constituents of the three varieties of rhubarb were significantly different, and the three varieties could be effectively distinguished. Finally, all the 14 common peaks were identified by ultra-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF-MS). In this research, the developed UPLC fingerprints offer a simple, reliable and specific approach for distinguishing different varieties of rhubarb. This research aims to promote the scientific and appropriate clinical application of rhubarb from three varieties.
研究领域:
中药学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
PeerJ
·
2023
·
IF 2.7
Xinxin Lin,Shiqi He,Suyu Wu,Tianwen Zhang,Sisi Gong,Tang Minjie,Yao Gao
Osteoarthritis (OA) is the most common joint disease in the world, characterized by pain and loss of joint function, which has led to a serious reduction in the quality of patients’ lives. In this work, ultrahigh performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-QToF/MS) in conjunction with multivariate pattern recognition methods and an univariate statistical analysis scheme were applied to explore the serum metabolic signatures within OA group ( n = 31), HC (healthy controls) group ( n = 57) and non-OA group ( n = 19) for early diagnosis and differential diagnosis of OA. Based on logistic regression analysis and receiver operating characteristic (ROC) curve analysis, seven metabolites, including phosphatidylcholine (18:0/22:6), p-cresol sulfate and so on, were identified as critical metabolites for the diagnosis of OA and HC and yielded an area under the curve (AUC) of 0.978. The other panel of unknown m/z 239.091, phosphatidylcholine (18:0/18:0) and phenylalanine were found to distinguish OA from non-OA and achieved an AUC of 0.888. These potential biomarkers are mainly involved in lipid metabolism, glucose metabolism and amino acid metabolism. It is expected to reveal new insight into OA pathogenesis from changed metabolic pathways.
研究领域:
医学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2024
·
IF 6
Linna Song,Xiaohan Sun,Baohui Shi,Weiming Yang,Wen Ma
Condensed tannins are essential components in red wines, which not only contribute to their astringency effect but also determine wine quality. However, the evolution of tannins during vinification and wine aging remains unclear. Hence, this investigation analyzed the chemosensory characteristics of condensed tannins and their astringency perception in Marselan, Cabernet Sauvignon and MerlotCanalysis of condensed tannins and their astringency perception in Marselan, Cabernet Sauvignon and Merlotred wine during an industrial-scale winemaking procedure, via both non-targeted UPLC–Q-ToF and QDA techniques. The results indicated that Marselan exhibited the highest total tannins content, galloylation, prodelphinidins and astringency intensity among the three studied varieties. 13 tannins molecules were found to be the key molecule tannins (VIP>1) during Marselan aging evolution, whereas 14 and 15 molecule tannins were revealed as the key (VIP>1) in Cabernet Sauvignon and Merlot wines, respectively. Furthermore, the sensory results demonstrated that, after aging for 9 months, the astringency sub-quality of Merlot wine evolved at a slower rate than the other two. Additionally, astringency intensity was significantly positively ( p < 0.001) correlated with total tannins, mDP, and (E)G% for all three varieties, while astringency sub-quality was significantly negatively ( p < 0.001) correlated with total tannins and (E)G%, according to a correlation analysis of chemosensory metabolomic results. For Marselan, Cabernet Sauvignon, and Merlot, respectively, DP5-C, DP1-C, and the majority of key tannins (VIP>1) significantly adversely correlate with astringency sub-quality.
研究领域:
食品科学
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感官分析
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葡萄栽培学
✓ 已验证
产品关联
DOI
高影响因子
MICROCHEMICAL JOURNAL
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2024
·
IF 4.9
Shengji Lv,Shaoying Liu,Caili Zang,Bin Zhou,Xinglong Wang,Yuan Yao,Ming Xue,Ren Ren,Quan Jin
Pesticide pollution poses significant risks to human health, ecosystem, and biodiversity. Among agro-products, leafy vegetables exhibited particularly severe pesticide residue due to their short harvest periods and large leaf surfaces. However, investigations on multiresidues in high-risk leafy vegetables based on Chinese dietary habits were still limited. In this study, we developed a weak basic citrate-buffered QuEChERS method for the simultaneous extraction of 43 pesticides in bok choy, celery, Chinese chive and cilantro. Coupled with the high-throughput UPLC-MS/MS technique, this method achieved LODs ranging from 0.1–3.0 μg/kg and LOQs ranging from 0.4–10.0 μg/kg for the four matrices with high sensitivity. The recovery experiments on blank samples indicated that the method recoveries were in the range of 76.2 %–116.3 %, with RSDs less than 12.1 %. The developed method provided a highly accurate and precise technical approach for the analyses of high-risk leafy vegetables. Furthermore, 211 vegetables were collected from markets in Hangzhou from 2021 to 2023. The total detection frequency was 92.9 %, and high detection frequencies for pesticides such as acetamiprid, carbendazim, clothianidin, dimethomorph, dinotefuran, imidacloprid, propiconazole, pyraclostrobin, and thiamethoxam. The distribution of pesticides in different vegetables varied significantly due to factors such as application amount and plant absorption, providing valuable insights for implementing targeted detection and regulatory interventions. The mixed use of multiple pesticides in cilantro was observed. Combined use of pesticides such as tebuconazole, difenoconazole, and propiconazole (all belonged to sterol demethylation inhibitors), might lead to pathogen resistance. In summary, the frequently detected pesticides in the four leafy vegetables presented acceptable dietary risks, with hazard quotients ranging from 0.005 % to 3.634 %.
研究领域:
食品安全
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分析化学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Chenyang Xu,Xiaohui Feng,Weihai Xing,Chaohua Tang,Xiaojie Sun,Youyou Yang,Junmin Zhang
Livestock and poultry meat is one of the main consumption sources of fatty acids (FAs) in China. FAs are the main component of lipids and essential nutrients for the human body. The location of carbon–carbon double bond (C C) in unsaturated fatty acids (UFAs) significantly affects the nutrition and flavor quality of meat products. This study established an analytical method for identifying the C C positions of UFAs based on the Paternò-Büchi (PB) reaction using ultra-high performance liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF). The FA extract was derivatized with 2-acetylpyridine under ultraviolet light at 254 nm. The derivatized FA was then analyzed using targeted MS/MS mode in positive electrospray ionization. Limits of detection (LOD) and limits of quantitation (LOQ) of 21 UFAs were 0.004–0.680 and 0.013–2.267 μg/L, respectively. Furthermore, for the diagnostic ions at the same functional group terminal fragmented from derivatives of FA C C isomers, the abundance ratio was linear with that of the corresponding content, which could be applied to non-targeted screening of C C positions in FAs. Based on this method, a total of 28 UFAs were screened in five types of livestock and poultry meats in this study. Among them, four isomers of C17:1, four of C18:1, two of C18:2, two of C20:3 and two of C22:5 were identified. The precise identification and quantitation of the double bond positions of fatty acids will be of great significance for the exploration of the nutritional components in livestock and poultry meat.
研究领域:
食品科学
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营养学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Applied Research on Medicinal and Aromatic Plants
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2020
·
IF 1.857
Chenghui Pan,Laijun Zhao,Dayun Zhao
Osmanthus fragrans (Lour) flower is a typical fragrant herb in eastern countries containing multiple bioactive compounds, the extract of which has been widely used as a natural antioxidant additive in food and cosmetics. However, the existing extraction methods use organic solvents during the extraction process, which is non-eco-friendly and harmful to human health. In this study, we introduce, to our knowledge for the first time, microwave-assisted deep eutectic solvent extraction (MA-DESE) to extract antioxidant components from O. fragrans flower. The MA-DESE procedure was optimised, validated, and compared with that of traditional solvent extraction by using response surface methodology. The maximum antioxidant activity of 101.81 mg Trolox equivalent/g of dry weight was achieved at the following optimum MA-DESE parameters: microwave power, 497.12 W; microwave treatment time, 59.03 s; and solid–liquid ratio, 31.14 mL/g. In addition, UPLC-MS analysis showed a greater variety of antioxidant components, such as olivil and osmanthuside H, in O. fragrans flower extract obtained by MA-DESE than by the traditional ethanol reflux method. These results demonstrated that MA-DESE, which is safe and eco-friendly, could substitute for the conventional solvent extraction process, which is time-consuming and tedious, for the extraction of antioxidant components from O. fragrans flower.
研究领域:
植物学
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食品科学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2022
·
IF 6.056
Yue Sun,Lin Zhou,Xiao Shan,Tiantian Zhao,Meirong Cui,Wenqian Hao,Binbin Wei
Polygonatum is a medicinal and edible homologous food, for which nine steaming and nine drying (SAD-9) is the most used processing method. The processed polygonatum not only changes its components, but also causes the fluctuation of metabolites in vivo . UPLC-QTOF/MS (Ultraperformance liquid chromatography-Quadrupole time of flight mass spectrometry) was employed to analyze the changes in components and the plasma untargeted metabolomics, thus, the differences in vitro of three groups of polygonatum (Raw Polygonatum, RP; two steaming and two drying, SAD-2; nine steaming and nine drying, SAD-9) and their effects on metabolic fluctuations in vivo were revealed. Results showed that the components, such as protein, fat, polysaccharide, flavonoids, saponins and isoflavones changed after processing. Moreover, 4 types of Lysophosphatidylcholines, the major differential metabolites, were highly expressed in rats’ plasma of SAD-9 group. Furthermore, through network pharmacological analysis, it was found that liquiritigenin and 4′,5-dihydroxyflavone activated PLA2 type enzymes to promote the production of lysophosphatidylcholine, and the processing method of SAD-9 was conducive to the role of these two components. These findings indicated the dissimilarity of components and metabolic profiles of polygonatum under different processing times, and revealed the advantages of SAD-9 processing methods.
研究领域:
药理学
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代谢组学
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食品科学
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中医药
✓ 已验证
产品关联
DOI
高影响因子
Environmental Science-Water Research & Technology
·
2023
·Vol. 9
·期 4
·1231-1237
·
IF 5
Run Zhou,Zhifei Xu,Yukang Wu,Li Yang,Xiuzhu Li,Yuanhua Meng,Pengfei Zhu,Lingcan Kong,Xinliang Ding
Human exposure to disinfection by-products (DBPs) primarily occurs through the consumption of drinking water. Haloacetamides (HAcAms) are an emerging class of nitrogenous DBPs with higher levels of cytotoxicity and genotoxicity compared to those of regulated DBPs. Detecting ultra-trace levels of HAcAms in drinking water remains challenging despite the availability of multiple detection methods. This paper reports the first use of ultra-performance liquid chromatography–mass spectrometry/mass spectrometry (UPLC-MS/MS) to quantify 13 HAcAms in drinking water without pretreatment. Results from the analysis of water samples collected from four cities in East China showed total HAcAm concentrations of 0.21–6.12 μg L−1, which were comparable to previously reported data from other countries. Further, 11 out of 13 HAcAms were detected in 60 water samples, with diHAcAms being the predominant subclass. DCAcAm and BCAcAm were the primary HAcAms targeted for detection and two Iodo-HAcAms were detected. The average total HAcAm concentration in water samples disinfected with chloramine was significantly higher than that in water samples disinfected with chlorine. Additionally, the total HAcAm concentrations in water samples from a treatment plant (WTP) using the ozone-biological activated carbon (ozone-BAC) process were lower than those in water samples from WTPs that did not use this treatment process. The results of this study have significant implications for monitoring water quality and protecting human health.
研究领域:
环境科学
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公共卫生
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分析化学
✓ 已验证
产品关联
DOI
高影响因子
Metabolomics
·
2022
·Vol. 18
·期 11
·1-12
·
IF 4.747
Yang Bo,Yin Hongqing,Wang Jianwei,Gan Jiali,Li Jingfang,Han Rui,Pei Ming,Song Lili,Yang Hongtao
Background Restless legs syndrome (RLS) is a neuromotor disorder, and dialysis patients are more likely to develop RLS. RLS often causes sleep disorders, anxiety and depression in patients. It will increase the risk of death and severely affect the life of patients. At present, RLS has not received enough recognition and attention, and the misdiagnosis rate can reach more than 10%. Methods The discovery set selected 30 peritoneal dialysis (PD) patients and 27 peritoneal dialysis patients with RLS (PD-RLS). A metabolomics method based on ultra performance liquid chromatography tandem quadrupole time-of-flight mass spectrometric method (UPLC-Q-TOF/MS) was used to analyze the differential metabolites of the two groups. 51 PD patients and 51 PD-RLS patients were included in the validation set. The receiver operating characteristic (ROC) analysis was used to evaluate the early diagnostic biomarkers, and the correlation between the differential metabolites and laboratory test indexes was analyzed to explore the biological function of the differential metabolites. Results Through the integrated analysis, four metabolites can be used as markers for the diagnosis of PD-RLS, including Hippuric acid, Phenylacetylglutamine, N,N,N-Trimethyl-L-alanyl-L-proline betaine and Threonic acid. Through ROC analysis, it is found that they can be used as a metabolic biomarker panel, and the area under the curve of this combination is more than 0.9, indicating that the panel has good diagnostic and predictive ability. Conclusion Metabolomics based on UPLC-Q-TOF/MS technology can effectively identify the potential biomarkers, and provide a theoretical basis for the early diagnosis, prevention and treatment on PD-RLS.
研究领域:
医学
·
代谢组学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES
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2020
·
IF 0.992
Hao Zhang,Juan Wei,Zongli Huo
A simple and rapid method employing ultra-high performance liquid chromatography tandem mass spectrometry has been developed for the direct determination of acrylic acid in tap water for the first time. The method worked on a ultra-high-performance liquid chromatography system and utilized the direct injection of 10 μL volumes. Aqueous samples were filtered with 0.22 μm membrane after diluting with the acetonitrile without any further pretreatment. The separation was accomplished by using a HILIC column with a gradient elution program. Acetonitrile and ammonium acetate solution (pH = 7) were applied in the method as the mobile phase. Acrylic acid- d3 was used as the internal standard in the quantification process. The method provided good recovery from 102.8% to 104.4%, good precision with intraday relative standard deviations in a range of 2.3% and 5.1%. The limit of quantification for the method was 45 μg/L. The possible structures of qualitative ion and quantitative ion of acrylic acid were proposed in this work with the help of the product ion spectra of acrylic acid and its corresponding isotopic standards. This study provided a reliable and quantitative method that could be used for daily monitoring of water quality.
研究领域:
分析化学
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2018
·
IF 2.831
Ni-hong Pang,Qian Liu,Xiang-ran Lu,Su-fen Yang,Dong-dong Lin,Guo-xin Hu
Enasidenib, an oral product for treating Acute Myeloid Leukemia, has been approved by FDA in Aug, 2017. In this study, we set up an ultra-performance liquid chromatography-mass spectrometry (UPLC-MS/MS) method for measuring Enasidenib and imatinib (internal standard, IS), simultaneously. Enasidenib and imatinib were separated on an ACQUITY UPLC BEH C 18 Column (2.1 mm × 50 mm, 1.7 μm, 132 Å). Mass detection was carried out by electrospray ionization in the position mode, and the multiple reaction monitoring transitions were m/z 474.23 → 456.17 and m/z 494.30 → 394.20 for Enasidenib and imatinib, respectively. Linearity (2 − 500 ng·mL −1 , R 2 > 0.999), precision and accuracy (RE < ± 15%), extraction recovery (≥ 96.69%), matrix effect (≥ 96.47%) and stability (RE < ± 10%) were validated which demonstrated the robustness of our method. This rapid, efficient and reliable UPLC-MS/MS method shows specificity and repeatability of Enasidenib in rat plasma and can be used in further pharmacokinetic studies.
研究领域:
药理学
·
分析化学
·
药物代谢动力学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2022
·Vol. 23
·期 15
·8810
·
IF 6.208
Ting Xue,Wenqing Wang,Zhiyuan Yang,Fanjun Wang,Lei Yang,Jian Li,Hui Gan,Ruolan Gu,Zhuona Wu,Guifang Dou,Zhiyun Meng
The mole fraction of deacetylated monomeric units in chitosan (CS) molecules is referred to as CS’s degree of deacetylation (DD). In this study, 35 characteristic ions of CS were detected using liquid chromatography–electrospray ionization–mass spectrometry (LC–ESI–MS/MS). The relative response intensity of 35 characteristic ion pairs using a single charge in nine CS samples with varying DDs was analyzed using 30 analytical methods. There was a good linear relationship between the relative response intensity of the characteristic ion pairs determined using ultrahigh performance (UP) LC–MS/MS and the DD of CS. The UPLC–MS/MS method for determining the DD of CS was unaffected by the sample concentration. The detection instrument has a wide range of application parameters with different voltages, high temperatures, and gas flow conditions. This study established a detection method for the DD of CS with high sensitivity, fast analysis, accuracy, stability, and durability.Keywords:chitosan;degree of deacetylation determination;UPLC–MS/MS;relative response intensity of the characteristic peak
研究领域:
生物化学
·
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）