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INTERNATIONAL JOURNAL OF FOOD SCIENCES AND NUTRITION · 2019 · IF 2.792

Simultaneous determination of the pharmacokinetics of A-type EGCG and ECG dimers in mice plasma and its metabolites by UPLC-QTOF-MS

Jin Li,Jian Zeng,Jinming Peng,Yangyang Jia,Chun-Mei Li

A-type epigallocatechin-3-gallate (EGCG) and epicatechin-3-O-gallate (ECG) dimers have multiply biological activities. In this study, the pharmacokinetics of them were investigated in mice after a single dose intravenous administration, and the metabolites in mice plasma and urine were investigated by ultra-performance liquid chromatography-Quadrupole-time of flight mass spectrometer (UPLC-QTOF-MS). Our results showed that the half-life (t1/2) of A-type EGCG and ECG dimers were 116.37 min and 33.04 min, respectively, and the maximal concentration in plasma was 32.81 μg/mL and 55.59 μg/mL, respectively. It was found that two dimers were firstly experienced by quinone methide (QM) fission to form the EGCG and ECG analogue, and the phase II metabolites were generated subsequently. The main metabolites in plasma and urine were glucuronidation and sulphation derivatives. In addition, small molecule weight of phenolic acids were detected in urine.

CAS / MDL: 68-12-2 76-05-1
✓ 已验证 产品关联 DOI PubMed 高影响因子
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ANALYST · 2018 ·Vol. 143 ·期 23 ·5744-5753 · IF 3.864

A triazine-based conjugated microporous polymer composite for magnetic solid phase extraction of 5-nitroimidazoles coupled with UPLC-MS/MS for quantification

Wei Yang,Xia Wu,Tingting Liu,Ting Wang,Xiaohong Hou

An attractive triazine-based conjugated microporous polymer (TCMP) was fabricated via the Friedel–Crafts reaction and magnetized by a simple reduction co-precipitation method for the first time. The morphology and textural properties of the as-synthesized materials were characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, powder X-ray diffraction, N2 adsorption measurements, elemental analysis, and magnetic measurements. The resulting magnetic triazine-based conjugated microporous polymer (MTCMP) was introduced as an efficient adsorbent for vortex-assisted magnetic solid phase extraction (MSPE) coupled with ultra-high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) for the determination of trace 5-nitroimidazoles (5-NDZs) in environmental water samples. The TCMP has abundant delocalized π-electrons and N-containing triazine that can generate π-interactions, intermolecular hydrogen bonds, and electrostatic interactions with polar 5-NDZs. Extraction parameters affecting the recovery efficiency of five 5-NDZs (metronidazole, ronidazole, secnidazole, tinidazole, and ornidazole), including the amount of the adsorbent, the pH value of the sample, the salting-out effect, the adsorption and elution time, and types and volume of the elution solvents, were investigated. Under the optimal conditions, a wide linear range, acceptable recoveries (ranging from 82.62% to 110.9% with the relative standard deviation lower than 9.58%), and good reproducibility (relative standard deviations less than 8.81% for intra-day and inter-day precision) were obtained. The limits of detection for the five analytes were between 0.012 and 0.035 ng mL−1. The established method is rapid, has high sensitivity and accuracy, and has been successfully applied to the detection of 5-NDZs in real environmental water samples.

✓ 已验证 DOI PubMed 高影响因子
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MICROCHEMICAL JOURNAL · 2024 · IF 4.9

Determination of 25 quinolones in water and milk by a magnetic sorbent Fe3O4@SiO2-HBTA-TTA-COF combining with UPLC-MS/MS

Weihao Ma,Hao Zhang,Jiayuan Nie,Chunyu Qiang,Zhiwei Li,Ling Ma,Ke Wang

In this study, a novel magnetic covalent organic framework (Fe 3 O 4 @SiO 2 -HBTA-TTA-COF) was synthesized, which was fully characterized by scanning electron microscopy, transmission electron microscopy, etc. Furthermore, a new method was developed for the determination of 25 quinolones (QNs) in water and milk using the Fe 3 O 4 @SiO 2 -HBTA-TTA-COF as magnetic solid-phase extraction adsorbent coupled with ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Meanwhile, various experimental parameters were optimized including sample solution pH, adsorbent dosage and extraction time, etc. Under the optimal conditions, good linearity in the range of 0.1–200 μg·L −1 (R 2  ≥ 0.999) were obtained, the recoveries of 25 QNs were 70.04 %–104.4 % with the relative standard deviations lower than 9.87 % (n = 5), the limits of detection were 0.003–0.010 μg·L −1 for water and 0.018–0.722 μg·kg −1 for milk. This established method was high-sensitive and high-throughput, which can be used as a good alternative method for the selective determination of 25 QNs in water and milk.

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FOOD CHEMISTRY · 2024 · IF 8.5

Exploring the roles of excess amino acids, creatine, creatinine, and glucose in the formation of heterocyclic aromatic amines by UPLC-MS/MS

Haolin Zhang,Xiaomei Lv,Weiming Su,Bing-Huei Chen,Yu-Wen Lai,Ruiwei Xie,Qiuyi Lin,Lei Chen,Hui Cao

The prevention and control of heterocyclic aromatic amines (HAA) formation to mitigate of potential risks to humans, can be achieved by targeting their precursors. In this study, the detailed roles of individual and excess component (20 common α-amino acids, creatine, creatinine, and glucose) on HAA formation in roasted beef patties were examined using UPLC-MS/MS. The results confirmed the reported classical precursors of HAAs. Some components regulated the competitive production of Norharman and Harman. Glycine (Gly) and glucose favored Norharman formation, while cysteine (Cys) and phenylalanine (Phe) for Harman. Serine (Ser) and threonine (Thr) were identified as potential precursors for IQx-type HAAs. Interestingly, methionine (Met), Gly, Thr, Cys, alanine (Ala), and Ser were revealed as more targeted underlying precursors for 1,6-DMIP and 1,5,6-TMIP, and the formation mechanism was inferred. Furthermore, Pro, Leu, His, Ile, Lys and Asp were considered as great inhibitors for HAAs.

CAS / MDL: 50-99-7
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2024 · IF 3.8

High-coverage characterization and discovery of molecular markers for quality control of natural fragrant plant extracts using UPLC-HRMS-based untargeted metabolomics

Huo Jinfeng,Zhe Wei,Zhang Yipeng,Yang Qianxu,Zeng Zhongda

The chemical components of natural fragrant plant extracts are of high complexity, and the strategies for quality control (QC) and further discovery of fragrance mechanisms still need to be further investigated. This study integrated the strategies and methods of untargeted metabolomics and chemometrics and statistical modeling to attain the goal. The techniques of reversed-phase and HILIC analysis of ultra-performance liquid chromatography-high-resolution mass spectrometry (UPLC-HRMS) were simultaneously used to collect data in both positive and negative ion modes. The pattern analysis of fingerprints and discovery of characteristic molecular markers for QC analysis were comprehensively employed to reach in-depth analysis of the quality variation and discovery of differential molecules among natural fragrant plant extracts. The former uses fingerprint technique to analyze their overall similarities and differences, and the latter comprehensively discovers molecular substances characterizing the chemical characteristics of fragrant extracts with the help of metabolomics and univariate and multivariate methods. The findings are expected to be used as the molecular markers in product manufacturing, sales, and consumption to achieve accurate quality control and recognition of targeted molecules for potential quality monitoring using spectroscopy techniques. In this work, 27 natural fragrant extracts were applied as examples, and their chemical components were comprehensively analyzed with discovery of markers for quality control. After data integration, 1178 molecules were annotated, and 267 differential metabolite molecules with the values of variable importance in the projection (VIP) larger than 1.0 were found. The results show that the method proposed in this work is of great significance for high-coverage analysis, QC marker discovery, and aroma mechanism elucidation, which has potential applications in the areas of food, cosmetics, pharmaceuticals, tobacco, and others. Graphical Abstract

CAS / MDL: 631-61-8 64-18-6
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Food Science & Nutrition · 2024 · IF 3.5

Evaluation of chemical components and quality in Xinhui Chenpi (Citrus reticulata ‘Chachi’) with two different storage times by GC–MS and UPLC

Junjie Shi,Lihua Peng,Weixuan Chen,Weilin Qiao,Kui Wang,Yueyang Xu,Jinle Cheng

Xinhui Chenpi (XHCP) is a well-known type of Chenpi (CP) widely used as both a Chinese herb and a food ingredient. While previous studies have explored how the quality of CP changes over time, there has been limited research specifically on XHCP. This study aims to assess the chemical components and quality of XHCP based on total flavonoid content (TF), antioxidant activity (AA), and color value (CV) at two stages: freshly harvested (XHCP-0Y) and after 3 years of storage (XHCP-3Y). Thirty-eight common volatile compounds were identified, and the content of 17 compounds among them, nine nonvolatile compounds, which included one alkaloid (synephrine), three phenolic acids (PA, protocatechuic acid, vanillic acid, and ferulic acid), and five flavonoids (narirutin, hesperidin, sinensetin, nobiletin, and tangeretin), were firstly detected by the newly developed gas chromatograph–mass spectrometer (GC–MS) and ultra-performance liquid chromatography (UPLC) methods. Compared to XHCP-0Y, the content of 17 volatile compounds and synephrine decreased in XHCP-3Y to varying degrees, while the content of PA, five flavonoids, TF, AA, and CV increased. The reduction of dryness caused by volatile compounds and the enhancement of efficacy related to PA, flavonoids, and AA suggested improved quality of XHCP after 3 years of storage. The methods developed in this study show promise for evaluating the quality of XHCP during the aging process.

✓ 已验证 产品关联 DOI PubMed 高影响因子
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JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE · 2024 · IF 2.6

Identification of non-volatile compounds during the pile fermentation process of Liupao tea using widely targeted metabolomics based on UPLC-QTOF-MS

Li Ya,Liang Jianfeng,Liang Lili

Pile fermentation plays a crucial role in the formation of the unique flavor of Liupao tea, which can effectively reduce the bitterness of the tea and promote the formation of red tea soup. In this study, the non-volatiles changes of Liupao tea during pile fermentation processing were fully analyzed by UPLC-QTOF-MS/MS. A total of 271 metabolites with significant differences were identified in Liupao tea during pile fermentation( P  < 0.01, VIP > 1), and their trends were grouped into 10 subclasses by K-means analysis. Three differential metabolites Choline Alfoscerate, N1-Methyl-4-pyridone-5-carboxamide, and 2-Aminovalienone were shared among the three different pile fermentation periods. The results provided valuable information for understanding the dynamic changes of non-volatile substances during the pile fermentation process of Liupao tea.

CAS / MDL: 110-38-3 123-96-6
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Natural Product Communications · 2024 · IF 1.5

Isolation and Identification of Anti-Inflammatory Active Components from Asparagi Radix cochinchinensis Based on HPLC-CAD and UPLC-Q/TOF-MS Techniques

Yan Lei,Bing Wang,Guanglin Zhu,Guo Feng,Wei Li,Caiyao Han,Qian Qin,Xie-an Yu,Xueli Song,Zhengyan He,Ju Zhang,Hongmei Su,Wenjing Wang

Background: In the research of the pharmacological activity of modern Chinese medicine, a large number of traditional Chinese medicines show anti-inflammatory activity. Asparagi radix is one of the anti-inflammatory drugs. With the deepening of people's research on Asparagi radix, its anti-inflammatory pharmacological effects have been gradually explored, but its specific anti-inflammatory active ingredients are still unclear. Therefore, it is necessary to screen and identify its specific anti-inflammatory active ingredients from Asparagi radix. At present, COX-2 is an important target for the treatment of chronic inflammation, and many drugs targeting this target have been marketed. However, some drugs have serious side effects, so it is very meaningful to study new COX-2 inhibitors. Methods: In this experiment, the fractions of different time periods are separated by high performance liquid chromatography-separation-trapping system (HPLC-CAD-FC). Then, ultra-high performance liquid chromatography-quadrupole time-of-flight/mass spectrometry (UPLC-Q-TOF/MS) and biological activity analysis techniques are used to identify the chemical composition and in vitro anti-inflammatory activity of each fraction. Finally, the data is integrated to screen out the substances with potential anti-inflammatory activity in Asparagi radix. Results: The results showed that the method established in this experiment can successfully isolate the active components of Asparagi radix, and four saponins with potential anti-inflammatory activity are identified. Conclusion: In summary, the analysis method established in this study can quickly and effectively screen out its anti-inflammatory active substances, and its potential anti-inflammatory active ingredients are mainly steroidal saponins.

CAS / MDL: 64-18-6
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2025 · IF 3.1

Development and validation of a UPLC-MS/MS method for almonertinib with its active metabolite HAS-719 and anlotinib in human plasma

Yi Qin,Xiaojun Guan,Shichao Zhang,Zijie Zhang,Chenrong Huang,Liyan Miao

Almonertinib and anlotinib are tyrosine kinase inhibitors used to treat malignant tumors, with their combination currently applied to non-small cell lung cancer (NSCLC) patients. This study aimed to develop a simple and rapid UPLC–MS/MS method for simultaneously detecting almonertinib, its active metabolite HAS-719, and anlotinib in human plasma. The analytes were separated on a Waters HSST3-C18 column following protein precipitation with acetonitrile. Mass detection was performed on a Waters TQS triple quadrupole mass spectrometer under positive electrospray ionization mode. The MRM ions were m/z 526.5→71.96 for almonertinib, m/z 512.4 → 455.41 for HAS-719, m/z 408.16→ 339.03 for anlotinib and m/z 518.5→372.26 for d6-HAS-000719 (internal standard). Method validation followed FDA guidelines and Chinese Pharmacopoeia regulations, demonstrating acceptable accuracy, precision, matrix effects, recovery, and stability. The method showed excellent linearity over 0.5–500 ng/mL for all three analytes, with correlation coefficients (r²)≥ 0.99. The validated UPLC-MS/MS method successfully monitored almonertinib and anlotinib concentrations in clinical, particularly for NSCLC patients.

CAS / MDL: 631-61-8
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2024 · IF 3.1

Development of simultaneous quantitation method for 20 free advanced glycation end products using UPLC–MS/MS and clinical application in kidney injury

Yuzhu Xu,Menghe Huang,Yingting Chen,Lintao Yu,Meiran Wu,Shiyue Kang,Qiuyu Lin,Qiaoxuan Zhang,Liqiao Han,Haibiao Lin,Peifeng Ke,Wenjin Fu,Qizhi Tang,Jun Yan,Xianzhang Huang

Advanced glycation end products (AGEs), derived from the non-enzymatic glycation reaction, are defined as glycotoxins in various diseases including aging, diabetes and kidney injury. Exploring AGEs as potential biomarkers for these diseases holds paramount significance. Nevertheless, the high chemical structural similarity and great heterogeneity among AGEs present a formidable challenge when it comes to the comprehensive, simultaneous, and accurate detection of multiple AGEs in biological samples. In this study, an UPLC/MS/MS method for simultaneous quantification of 20 free AGEs in human serum was firstly established and applied to quantification of clinical samples from individuals with kidney injury. Simple sample preparation method through protein precipitation without derivatization was used. Method performances including imprecision, accuracy, sensitivity, linearity, and carryover were systematically validated. Intra- and inter- imprecision of 20 free AGEs were 1.93–5.94 % and 2.30–8.55 %, respectively. The method accuracy was confirmed with good recoveries ranging from 96.40 % to 103.25 %. The LOD and LOQ were 0.1–3.13 ng/mL and 0.5–6.25 ng/mL, respectively. Additionally, the 20 free AGEs displayed excellent linearity (R 2 >0.9974) across a wide linear range (1.56–400 ng/mL). Finally, through simultaneous quantitation of 20 Free AGEs in 100 participants including kidney injury patient and healthy controls, we identified six free AGEs, including N 6 -carboxyethyl-L-arginine (CEA), N 6 -carboxymethyl-L-lysine (CML), methylglyoxal-derived hydroimidazolones (MG-H), N 6 -formyl-lysine, N 6 -carboxymethyl-L-arginine (CMA), and glyoxal-derived hydroimidazolone (G-H), could well distinguish kidney injury patients and healthy individuals. Among them, the levels of four free AGEs including CML, CEA, MG-H, and G-H strongly correlate with traditionally clinical markers of kidney disease. The high area under the curve (AUC) values (AUC=0.965) in receiver operating characteristic (ROC) curve indicated that these four free AGEs can be served as combined diagnostic biomarkers for the diagnosis of kidney disease.

CAS / MDL: 692-04-6
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Heliyon · 2024 · IF 3.4

Compounds identification and mechanism prediction of YuXueBi capsule in the treatment of arthritis by integrating UPLC/IM-QTOF-MS and network pharmacology

Xiaoyu Zhang,Xueyuan Dong,Ruihu Zhang,Shufan Zhou,Wei Wang,Yu Yang,Yuefei Wang,Huijuan Yu,Jing Ma,Xin Chai

Rheumatoid arthritis (RA) is a chronic systemic autoimmune disease that seriously affects the life quality of patients. As a patent medicine of Chinese traditional medicine, YuXueBi capsule (YXBC) is widely used for treating RA with significant effects. However, its active compounds and therapeutic mechanisms are not fully illuminated, encumbering the satisfactory clinical application. In this study, we developed a method for identifying the chemical compounds of YXBC and the absorbed compounds into blood of rats using ultra performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) combined with UNIFI analysis software. A total of 58 compounds in YXBC were unambiguously or tentatively identified, 16 compounds from which were found in serum of rats after administration of YXBC. By network pharmacology, these prototype compounds identified in serum were predicted to regulate 30 main pathways (including HIF-1 signaling pathway, neuroactive ligand-receptor interaction, IL-17 signaling pathway, and so on) through 146 targets, resulting in promoting blood circulation and removing blood stasis, analgesia, and anti-inflammatory activities. This study provides a scientific basis for the clinical efficacy of YXBC in the treatment of RA.

CAS / MDL: 64-18-6
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Journal of Food Measurement and Characterization · 2024 · IF 2.9

An analytical method for the determination of flavonoids in Houttuynia cordata Thunb. by UPLC-TQ-MS and analysis of its antioxidant activity

Zhang Zhiqi,Li Lin,Wang Xinyang,Liu Liyan

Houttuynia cordata Thunb. (H.cordata) , as a traditional Chinese medicinal herb and food, has been used to treat various diseases because of rich content in flavonoids. Here, an ultra-high performance liquid chromatography with triple quadrupole tandem mass spectrometry (UPLC-TQ-MS/MS) method was proposed for the determination of flavonoids profiling in H.cordata . Single factor experiment and response surface methodology were used to optimize the pretreatment process of H.cordata samples. The optimal conditions were as follows: ultrasonic temperature: room temperature (25 °C); ultrasonic time: 5 min; solid-liquid ratio: 1:40 and concentration of ethanol: 60%. The method showed the good linearity ( r  ≥ 0.9855), the satisfactory intra-day (RSD%≤10.94%) and inter-day precision (RSD% ≤ 11.2%) and low limit of quantification (< 0.01 µg/mL). The content of flavonoids in flowers and leaves was much higher than in roots and stems. The flavonoids in the leaves of H.cordata from Chongqing was the highest (9.22 mg/g), and that in the flowers of H.cordata from Hubei province was the highest (6.69 mg/g). In addition, the antioxidant activity of the extracts of H.cordata was evaluated using the scavenging effect of the extracts on five free radicals and the iron ion reducing ability. The best antioxidant activity was observed in scavenging DPPH free radicals with EC 50 value of 295.16 µg/mL. The scavenging of ABTS•+ free radicals and PTIO• free radicals was also effective with EC 50 values of 818.82 µg/mL and 685.43 685.43 µg/mL, respectively. Thus, this study will be helpful to the development and utilization of flavonoids from H.cordata in food and pharmaceutical industries.

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