MOLECULES
·
2022
·Vol. 27
·期 9
·2684
·
IF 4.927
Ziqi Qian,Yi Wang,Shuyu Shen,Wenyang Tao,Yu Zhang,Xingqian Ye,Shiguo Chen,Haibo Pan
Proanthocyanidins (PACs) have been proven to possess a wide range of biological activities, but complex structures limit their study of structure–function relationships. Therefore, an efficient and general method using hydrophilic interaction high-performance liquid chromatography coupled with high-resolution quadrupole time-of-flight tandem mass spectrometry (HILIC-QTOF-MS) was established to analyze PACs from different plant materials. This method was successfully applied to characterize PACs from Chinese bayberry (Myrica rubraSieb. et Zucc.) leaves (BLPs), sorghum testa (STPs) and grape seeds (GSPs). BLPs with the degree of polymerization (DP) from 1 to 8 were separated. BLPs are mainly B-type prodelphinidins and A-type BLPs were first found in this study. STPs and GSPs belonging to procyanidins showed DP from 3 to 11 and 2 to 12, respectively. A-type linkages were found for every DP of STPs and GSPs, which were first found. These results showed that HILIC-QTOF-MS can be successfully applied for analyzing PACs from different plant materials, which is necessary for the prediction of their potential health benefits.Keywords:Chinese bayberry leaves;sorghum testa;grape seeds;proanthocyanidins;HILIC-QTOF-MS
研究领域:
植物化学
·
分析化学
✓ 已验证
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
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2019
·
IF 2.983
Lulu He,Jianqin Qian,Peixi Zhu,Weifeng Yang,Yuanbin She
A simple and sensitive method was developed for separation and characterization of seventeen impurities from commercial latamoxef sodium for injection by liquid chromatography combined with electrospray ionization and QTOF mass spectrometer (LC-ESI-QTOF MS). The chromatographic separation was performed on a Boston Green ODS-AQ C18 column (250 mm × 4.6 mm, 5 μm) under gradient mode using binary mobile phase: (A) ammonium acetate (10 mM)-methanol (99:1, v/v) and (B) ammonium acetate (10 mM)-methanol (70:30, v/v). Based on tandem multistage MS and high resolution MS data, the molecular formulas and structures of unknown impurities were inferred. A plausible formation mechanism of impurities was also proposed. In addition, the fragmentation regularity of degraded impurities in positive-ion mode was summarized.
研究领域:
分析化学
·
药物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
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
·
代谢组学
·
食品科学
·
中医药
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES
·
2019
·
IF 0.987
Yang-Fang He,Han-Qing Cai,Hong-Mei Zhang,Zhi-Hui Ren,Huan Tang,Yan Li,Xiao-Wei Zhou,Wen-Long Liu,Jin Pei,Shu-Ying Liu
In order to understand the significant differences in activities and effects between Asian ginseng (ASG) and American ginseng (AMG), it is important to study the correlation between chemical structures and biological activities in the two types of herbs. However, more attention has been paid to the analysis of ginsenosides in previous reports distinguishing between ASG and AMG. There are some other bioactive compounds besides ginsenosides, however, few studies have focused on a systematic comparison of these types of compounds. Two metabolomic methods were developed in this study by qualitative data acquisition using normal phase liquid chromatography mass spectrometry (NPLC-MS) and reverse phase liquid chromatography mass spectrometry (RPLC-MS) respectively, in combination with principal component analysis (PCA). Results show that both NPLC-MS and RPLC-MS-based metabolomic methods are feasible in composition profiling, biomarker screening as well as in discrimination of ASG and AMG. 17 ginsenosides were identified as analytical markers in RPLC-MS-based metabolomic method. In comparison, using NPLC-MS-based method, 5 ginsonosides, two amino acids as well as 1 oligosaccharide were identified as analytical markers. Therefore, RPLC-MS-based metabolomic method exhibits better profiling in ginsenosides, while NPLC-MS-based metabolomic method offers the advantage that multiple active ingredients can be determined simultaneously. The two methods are both helpful in identification of biomarker as well as in discrimination of American ginsengs from Asian ginsengs.
研究领域:
植物化学
·
分析化学
·
中药学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Na Yan,Xia Li,Chundi Zhou,Qin Jiang,Jiyu Li,Zhenqing Zhang,Yilan Ouyang,Duxin Li,Jianxiang Li
Carrageenan (CGN) belongs to the sulfated polysaccharides family that is commonly used in the food industry. For oligosaccharide analysis, a liquid chromatography quadrupole time-of-flight/mass spectrometry strategy was developed using a hypothetical database. There are 2100 structures in the developed hypothetical κ-CGN database. To eliminate false-positive results, three approaches were used, including size exclusion chromatography with mass spectrometry, which differentiates the loss of sulfated groups caused by the hydrolysis process or the ionization process. Profiling of acidic hydrolysis products of κ-CGN was found that after 12 h of HCl cultivation, the κ-CGN was hydrolyzed to oligosaccharides lower than the degree of polymerization 10, breaking the α-1,3-glycoside linkage and producing even-numbered oligosaccharides. Another finding was that the pH at which acidic hydrolysis is terminated affects the generation of even and odd oligosaccharides. Peeling reaction occurs at the reduction end 4-linked-3,6-anhydrous- d -galactose when adjusted to alkaline conditions, thus generating odd oligosaccharides.
研究领域:
食品科学
·
分析化学
·
质谱分析
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2018
·
IF 2.831
Yuting Lu,Xiyang Sun,Fan Song,Lei Wang,Min Song,Taijun Hang
An LC-QTOF-MS method was developed for the separation and characterization of related substances in varenicline tartrate. The separation was established on an InertSustain C18 column (4.6 mm × 150 mm, 5 μm) by liner gradient elution using 0.05% trifluoroacetic acid as mobile phase A and acetonitrile as mobile phase B. The degradation studies were conducted under the ICH prescribed stress conditions. Varenicline tartrate was found to be unstable to alkaline, oxidative, thermal and photolytic stresses, while relatively stable under acid stress condition. Thirteen related substances were detected all together in varenicline tartrate and its stressed samples. Their structures were identified mainly through positive ESI high resolution QTOF mass spectrometric analysis of the parent and product ions' accurate masses and the calculated elemental compositions. Among the 13 related substances, seven were process-related and six were degradation products, and two of them were further verified by chemical synthesis and NMR spectroscopic determination. Their formation mechanisms were also discussed, and the key steps in the manufacturing processes were also determined to provide varenicline tartrate with high purity.
研究领域:
药物化学
·
分析化学
·
制药工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
AAPS PHARMSCITECH
·
2021
·Vol. 22
·期 1
·1-9
·
IF 3.246
Sun Xuechun,Zheng Xin,Tang Yan,Debrah Augustine Atta,Du Zhenxia
Biological activity and pharmacological efficacy of protein drugs may be affected by the compatibility between drug and packaging materials. The compatibility of rubber closures seal cap has become the focus of many studies due to its complicated formulation. Despite of the significance of the issue, currently, there is little available data about organic leachables in drugs which is also not comprehensive. Since the concentration of migrants in drug is usually low and the matrix is complicated, the establishment of overall profile of extractables is crucial for the characterization of leachables. Herein, the supercritical fluid extraction (SFE) method was used because of its great extraction capacity and efficiency for low to medium polar extractables in rubber stoppers. The SFE conditions were optimized by response surface methodology (RSM). Experimental results of the extract yield were close to the predicted values ( R 2 = 0.95). Then the extractables were qualitatively and quantitatively analyzed with ultrahigh performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS). Finally, risk assessment was made by comparing predicted exposure with injection permitted daily exposure (pPDE) limit or threshold recommended by threshold of toxicological concern (TTC). The results showed that there are many extractables such as glyceride, fatty acids and derivatives, antioxidants, and degradation products. Among them degradation products were in the majority and content of 17 substances exceeded corresponding limits. Considering their unknown toxicology, more experiments are therefore needed to provide information on their toxicology and risk assessment. The study provides a reference for the compatibility of drugs, and quality supervision of pharmaceuticals packaging.
研究领域:
药学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Zijian Liang,Pangzhen Zhang,Wen Ma,Xin-An Zeng,Zhongxiang Fang
A new type of flavored wine was produced by macerating either green tea or black tea into Chardonnay wine and model wine respectively, where the physicochemical properties (pH, titratable acidity, color) were modulated. Significant ( p < 0.05) increases of total phenolic content and antioxidant activity (assessed by DPPH, FRAP and ABTS assays) were also observed in the tea macerated wines. A total of 160 phenolic and non-phenolic compounds were identified by HPLC-DAD-ESI-QTOF-MS/MS, where 55 phenolics were newly found in the tea macerated Chardonnay wine. The interaction between wine and tea phenolics led to additional 29 phenolic compounds and 4 non-phenolic compounds that were not found in either Chardonnay wine or tea. Catechin and epigallocatechin gallate were the most abundant phenolic compounds and contributed to the improved antioxidant activities. This study provided a promising prospect of tea as a novel additive in the production of flavored wine with enhanced functionalities.
研究领域:
食品科学
·
分析化学
·
植物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2018
·
IF 3.849
Zhengang Zhao,Huaifeng Yan,Rui Zheng,Muhammad Saeed Khan,Xiong Fu,Zi Tao,Zhanying Zhang
Anthocyanins in rind extracts of three sugarcane cultivars, ROC 22, Haitang 22 and Guitang 21, were characterized using ultra performance liquid chromatography (UPLC) combined with electrospray ionization quadrupole-time-of-flight tandem mass spectrometry (ESI-QTOF-MS/MS). A total of thirteen anthocyanins were identified and quantified. Except for cyanidin-3-glucoside, twelve anthocyanins were reported for the first time from sugarcane. The total anthocyanin content (TAC) varied significantly from 10.8 (Haitang 22) to 132.0 μg/g dry rind weight (DW) (ROC 22). Regarding single anthocyanins, ROC 22 contained 79.8 μg/g DW cyanidin-3-glucoside but this anthocyanin was not identified in the other two cultivars. Instead, Guitang 21 contained 94.6 μg/g DW malvidin-3- p -coumaroyl-rhamnoside-5-glucoside. The rinds of red sugarcane cultivars ROC 22 and Guitang 21 had higher total antioxidant activities than green sugarcane Haitang 22, which was attributed to much higher contents of free and total phenolics. This study provides useful information for the production of valuable nutraceuticals from sugarcane.
研究领域:
植物化学
·
食品科学
·
营养学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2019
·
IF 3.571
Chongzhen Sun,Xin Tang,Yao Ren,Erpei Wang,Lei Shi,Xiyang Wu,Hui Wu
Neutrase-hydrolysates hydrolyzed from mulberry leaf proteins were separated by ion exchange chromatography, gel filtration chromatography, and semipreparative reverse-phase HPLC. Purified fractions were analyzed for their radical scavenging activity, hemolysis inhibition ability, and cellular antioxidant activity (CAA). Three new antioxidant peptides, P1 (SVL, 317 Da), P2 (EAVQ, 445 Da), and P3 (RDY, 452 Da), were obtained from the most active HPLC fraction (R1) and identified using UPLC-QTOF-MS. These three peptides were then synthesized, and their antioxidant activities were analyzed. P1 and P2 had no ability to inhibit hemolysis of erythrocytes but did show antioxidant activity on HepG2 cells. P3 showed the highest hemolysis inhibition ability (92%) and CAA value (2204 μM QE/100 g peptide). The Tyr residues at the C-terminal region play an important role in the antioxidant activity in P3. Thus, the natural peptide R1 and synthesized P3 could be used as antioxidants and might be promising components of functional foods.
研究领域:
食品科学
·
生物化学
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2023
·
IF 4.1
Yingjiao Dong,Ruijie Wang,Yao Chen,Zhikai Hong,Guanhua Wang
In this work, a novel triazine-based porous organic polymers, TAPT-BPDD, was firstly synthesized by a facile method at room temperature. After characterized by FT-IR, FE-SEM, XRPD, TGA, and nitrogen-sorption experiments, TAPT-BPDD was applied as solid-phase extraction (SPE) adsorbent for the extraction of four trace nitrofuran metabolites (NFMs) from meat samples. The key parameters including the adsorbent dosage, sample pH, type and volume of eluents, type of washing solvents were evaluated in the extraction process. Combined with ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-QTOF-MS/MS) analysis, good linear relationship (1–50 µg·kg −1 , R 2 >0.9925) and low limits of detection (LODs, 0.05–0.56 µg·kg −1 ) were obtained under the optimal conditions. When spiked at different level, the recoveries were in the range of 72.7–111.6%. The adsorption isothermal model and extraction selectivity of TAPT-BPDD were also studied in detail. The results showed that TAPT-BPDD was a kind of promising SPE adsorbent for the enrichment of organics in food samples.
研究领域:
分析化学
·
食品安全
✓ 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）