FOOD CHEMISTRY
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2020
·
IF 6.306
Chaonan Su,Caihong Li,Kang Sun,Wenjing Li,Rongxia Liu
Walnut leaves are rich in phenolic components with antibiotic and antioxidative effects. However, few studies have reported the quantitative analysis of active components in walnut leaf. In this study, a novel method for quantifying the active components in walnut leaves was developed by combining ultra-high performance liquid chromatography-hybrid quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) with quantitative analysis of multi-components by a single marker (QAMS). In total, 13 bioactive components were analyzed by a single marker, quercetin. To evaluate the accuracy of this method, an auxiliary quantification method with 13 reference standards was established and validated. The standard method differences (SMDs) of the quantification results between QAMS and the auxiliary method were lower than 20%, indicating that the QAMS method can accurately determine the active components in walnut leaves. This method can provide a reference to address the absence of reference standards for analyzing other foods and herbs.
研究领域:
植物化学
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分析化学
·
药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Food Measurement and Characterization
·
2024
·
IF 2.9
Wang Jin,Ren Qiao,Zhou Houqin,He Chenghao,Huang Qinwan
Red ginseng, a processed product of ginseng, has been shown to possess various pharmacological effects. To investigate the changes in ginsenosides during the processing of ginseng into red ginseng and to visualize their spatial distribution characteristics in tissues, ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap high-resolution mass spectrometry (UPLC-Q-Orbitrap HRMS) was used to detect and identify the extracts of ginseng and red ginseng. Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) was used to visually analyze the spatial distribution and temporal changes of prototype ginsenosides and their metabolites in ginseng. The UPLC-Q-Orbitrap HRMS results showed the identification of 42 major ginsenosides in both ginseng and red ginseng. Additionally, PCA and OPLS-DA analyses identified the processing-related markers for ginseng and red ginseng. During the processing of ginseng into red ginseng, the content of protopanaxadiol ginsenosides decreased (Rb1, Rc, Rd, etc.), while the types and content of rare ginsenosides increased (Rg3, Rg5, Rh1, etc.). The MALDI-MSI tissue distribution results demonstrated that ginsenosides in ginseng were mainly distributed in the cambium and phloem, while the processing led to the transformation of ginsenosides and an increase in distribution in the xylem and medulla. This study comprehensively reveals the chemical diversity and dynamic transformation patterns during the processing of ginseng, providing more substantial foundational information for research on red ginseng processing techniques. The transformation of these rare ginsenosides also indicates that ginseng is more beneficial for pharmacological applications such as anti-tumor, anti-allergic, and liver protection after being processed into red ginseng. Graphical abstract
研究领域:
药用植物学
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分析化学
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中药学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2021
·
IF 5.645
Caihong Li,Yan Zhao,Wenjing Li,Rongrong Xing,Jing Lu,Rongxia Liu
Euodiae Fructus (EF, the fruit of Tetradium ruticarpum ) belongs to the family Rutaceae which has a complex genetic background, making classification a challenge. In order to classify the three closely related cultivars (small flower EF, medium flower EF, and big flower EF) and simplify the identification procedure in the future, an approach integrating ultra-high performance liquid chromatography-ultraviolet spectrum-hybrid quadrupole-Orbitrap high resolution mass spectrometry (UHPLC-UV-Q-Orbitrap HRMS) with machine learning algorithms was developed. Orthogonal partial least squares-discriminant analysis (OPLS-DA) and random forest (RF) were used to assort the processed EF products and select the chemical markers to differentiate among the three EF cultivars, respectively. Then the thresholds of classification were determined using the eXtreme Gradient Boosting (XGboost) model based on the quantitative data of chemical markers by the UHPLC-Q-Orbitrap HRMS. The results demonstrated that the approach successfully discriminated among three closely related cultivars of EF, and five chemical markers (neochlorogenic acid, (+)-catechin, chlorogenic acid, dehydroevodiamine, and limonin) were selected. Thresholds were obtained to classify the three cultivars. If the content of neochlorogenic acid was greater than 7.52 mg/g, the sample belonged to small flower EF, otherwise, it belonged to medium flower EF or big flower EF. Furthermore, if the content of dehydroevodiamine was greater than 3.84 mg/g, the sample was medium flower EF, otherwise, it was big flower EF. In general, this research provides a novel strategy for the discrimination of Euodiae Fructus cultivars to avoid misapplication and possible side effects.
研究领域:
药学
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分析化学
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植物学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2020
·
IF 3.69
Rongxia Liu,Chaonan Su,Yumeng Xu,Kangle Shang,Kang Sun,Caihong Li,Jing Lu
Ethnopharmacological relevance Walnut leaf (WL) is a hypoglycemic herbal medication with blood glucose-lowering activity that can affect diabetes mellitus (DM). However, the active components of WL and the mechanisms by which these compounds affect DM are unclear. Aim of study This study aimed to determine these effective ingredients and elucidate the potential mechanisms by which they affect DM via ultra-high performance liquid chromatography-hybrid quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) coupled with network pharmacology analysis. Materials and methods First, UHPLC-Q-Orbitrap HRMS was utilized to identify components of WL. Second, the putative targets of the components were identified and predicted based on chemical similarity and online databases. Third, the key candidate targets and potential active components were identified through topological analysis of a component-disease target interaction network. Finally, interactions between active components and therapeutic targets were confirmed by molecular docking analysis. Results One hundred and thirty components were identified in WL, among which 38 were considered potentially bioactive, as they showed hypoglycemic effects. Among these 38, 8 key active components possessed high similarities and shared 4 targets with approved drugs. These findings were confirmed by molecular docking analysis. Conclusion The approach combining UHPLC-Q-Orbitrap HRMS with network pharmacology analysis is a rapid and effective tool to identify potentially bioactive constituents in medicinal plants and prescriptions.
研究领域:
中药学
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代谢组学
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生物信息学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Frontiers in Molecular Biosciences
·
2021
·
IF 5.246
Zhou Peipei,Zhou Lin,Shi Yingying,Li Zhuolun,Liu Liwei,Zuo Lihua,Zhang Jun,Liang Shuhong,Kang Jian,Du Shuzhang,Yang Jing,Sun Zhi,Zhang Xiaojian
The incidence of cerebral ischemic stroke characterized by high mortality is increasing every year. Danshen Chuanxiongqin Injection (DSCXQ), a traditional Chinese medicine (TCM) preparation, is often applied to treat cerebral apoplexy and its related sequelae. However, there is a lack of systematic research on how DSCXQ mediates its protective effects against cerebral ischemia stroke. Metabolomic analysis based on UHPLC-Q-Orbitrap HRMS was employed to explore the potential mechanisms of DSCXQ on ischemic stroke induced by transient middle cerebral artery occlusion (MCAO). Pattern analysis and metabolomic profiling, combined by multivariate analysis disclosed that 55 differential metabolites were identified between Sham group and Model group, involving sphingolipid metabolism, glycerophospholipid metabolism, phenylalanine, tyrosine and tryptophan biosynthesis, primary bile acid biosynthesis, pantothenate and CoA synthesis and valine, leucine and isoleucine biosynthesis pathways. DSCXQ could reverse brain metabolic deviations in stroke by significantly upregulating the levels of L-tryptophan, Lyso (18:0/0:0), LPC (18:2), Indole-3-methyl acetate, and downregulating the levels of sphinganine 1-phosphate, L-threonic acid, glutaconic acid and N6,N6,N6-Trimethyl-L-lysine. In our study, we focused on the neuroprotective effects of DSCXQ against neuroinflammatory responses and neuronal apoptosis on a stroke model based on sphingolipid metabolism. The expressions of Sphk1, S1PR1, CD62P, Bcl-2, Bax, and cleaved Caspase-3 in brain tissue were evaluated. The neurological deficit, cerebral infarct size and behavioral abnormality were estimated. Results showed that DSCXQ intervention significantly reduced cerebral infarct size, ameliorated behavioral abnormality, inhibited the expression of Sphk1, S1PR1, CD62P, Bax, Cleaved Caspase-3, while increased the level of Bcl-2, and prevented neuronal apoptosis. The limitations are that our study mainly focused on the verification of sphingolipid metabolism pathway in stroke, and while other metabolic pathways left unverified. Our study indicates that SphK1-SIP axis may potentiate neuroinflammatory responses and mediate brain damage through neuronal apoptosis, and DSCXQ could suppress the activity of SphK1-SIP axis to protect brain tissue in cerebral ischemia. In conclusion, this study facilitates our understanding of metabolic changes in ischemia stroke and the underlying mechanisms related to the clinical application of DSCXQ.
研究领域:
药理学
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神经科学
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代谢组学
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中医药
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ENVIRONMENTAL POLLUTION
·
2025
·
IF 7.3
Haixia Jin,Yong Wang,Junning Liu,Qun Gao,Jing Ji,Geyu Liang,Xiaoxia Gu,Kai Luo
Considering only parent polycyclic aromatic hydrocarbons (PAHs), such as benzo(a)pyrene as a representative compound, may underestimate the carcinogenic risk of polycyclic aromatic compounds (PACs). Nitrated polycyclic aromatic hydrocarbons (nitro-PAHs), known for their higher toxicity relative to parent PAHs, are widely present in the environment. In this study, a novel, highly sensitive, and accurate method utilizing ultra-performance liquid chromatography coupled with hybrid quadrupole Orbitrap high resolution MS (Q-Orbitrap-HRMS) was developed to quantify 15 amino-PAHs, which are metabolites of nitro-PAHs, in human urine samples. Our analysis revealed the presence of 10 out of the 15 targeted amino-PAHs in urine samples obtained from adults residing in Nanjing, China. The cumulative concentrations of the 10 amino-PAHs (∑ 10 amino-PAHs) in each urine sample ranged from not detected (ND) to 19.12 ng/mL, with mean and median concentrations of 2.85 and 2.09 ng/mL, respectively. Risk assessment using the potency equivalency factor (PEF) indicated that the mean estimated cancer risks for 1,6-dinitropyrene and 1,8-dinitropyrene, two dinitro-PAHs classified by the International Agency for Research on Cancer (IARC) as possibly carcinogenic to humans (Group 2B), were 2.96 × 10 −4 and 4.93 × 10 −5 , respectively, exceeding the commonly accepted risk threshold of 1 × 10 −6 , and indicating a potential public health concern. Overall, this study established a robust method for the identification and quantification of amino-PAHs in urine samples, highlighting the presence of nitro-PAHs, particularly dinitro-PAHs, in the human body and their significant yet often overlooked carcinogenic potential, necessitating further investigation and attention.
研究领域:
环境科学
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分析化学
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毒理学
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公共卫生
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质谱分析
✓ 已验证
产品关联
DOI
PubMed
高影响因子
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
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食品科学
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环境科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Frontiers in Pharmacology
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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
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病理学
✓ 已验证
DOI
PubMed
高影响因子
Journal of Pharmaceutical Analysis
·
2025
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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
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肿瘤学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Scientific Reports
·
2017
·Vol. 7
·期 1
·1-15
·
IF 4.259
Sun Zhi,Zuo Lihua,Sun Tongwen,Tang Jinfa,Ding Daling,Zhou Lin,Kang Jian,Zhang Xiaojian
To clarify and quantify the chemical profiling of XueBiJing injection (XBJ) rapidly, a feasible and accurate strategy was developed by applying ultra high performance liquid chromatography-Q Exactive hybrid quadrupole-orbitrap high resolution accurate mass spectrometry (UHPLC-Q-Orbitrap HRMS). A total of 162 components were characterized, including 19 phenanthrenequinones, 33 lactones, 28 flavonoids and 12 phenolic acids and 51 other compounds. Among them, 38 major compounds were unambiguously quantified by comparing with reference standards. Meanwhile, 38 representative compounds were simultaneously detected in XBJ samples by Q-Orbitrap HRMS. Satisfactory linearity and correlation coefficient were achieved with wide linear range. The precisions, repeatability, stability and recovery were meeting requirements. The validated method was successfully applied for simultaneous determination of 38 bioactive compounds in 10 batches XBJ samples. In addition, the similarity evaluation of fingerprintings was applied to assess the quality of XBJ. And the results were evaluated by multiple statistical strategies and five compounds might be the most important chemical markers for chemical quality control of XBJ. Finally, a rapid and simple UPLC-MS/MS method was developed for determination of five markers in XBJ sample. This research established a high sensitive and efficient strategy for integrating quality control, including identification and quantification of XBJ.
研究领域:
药学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
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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
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食品安全
✓ 已验证
DOI
PubMed
高影响因子
Frontiers in Pharmacology
·
2018
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IF 3.831
Zuo Lihua,Zhou Lin,Xu Tanye,Li Zhuolun,Liu Liwei,Shi Yingying,Kang Jian,Gao Guanmin,Du Shuzhang,Sun Zhi,Zhang Xiaojian
Xuebijing (XBJ) injection is an ethnomedicinal formula that has been widely used in the therapy of sepsis in China. However, the underlying theraputic mechanisms remain uninvestigated. In this research, a metabolomic method based on UHPLC-Q-Orbitrap HRMS was applied to make a holistic evaluation of XBJ on septic rats which were induced by the classical cecal ligation and puncture (CLP) operation. The plasma metabolic changes were profiled and evaluated by multivariate analytical (MVA) methods. In the results, a total of 41 differential metabolites were identified between CLP-operated group and sham-operated group, which were mainly involved in amino acid metabolism and lipid metabolism. After pathway analysis, it was finally discovered that the majority of the influenced metabolic pathways caused by sepsis mainly involved in energy metabolism, oxidative stress, and inflammation metabolism. When intervened by XBJ injection, 32 of the 41 disordered metabolites had been adjusted in reverse, which suggested that XBJ could mediate the abnormal metabolic pathways synergistically. In conclusion, the present study systematically investigated the efficacy and its underlying therapeutic mechanisms of XBJ on sepsis, while offering a new insight for the subsequent relevant exploration of other Chinese medicine at the same time.
研究领域:
药理学
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代谢组学
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中医药学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）