JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2015
·
IF 2.729
Xia Wu,Yan Li,Qiu Wang,Weimin Li,Yifan Feng
A rapid and reliable ultra-performance liquid chromatography coupled with electrospray ionization/quadrupole-time-of-flight mass spectrometry (U-HPLC/Q-TOF-MS) has been firstly used to analyze the changes of plasma phospholipids, in type 2 diabetes mellitus (T2DM) mice after administration of berberine and pomegranate seed oil (PSO). The separation of plasma phospholipids was carried out on an Acquity U-HPLC BEH C18 column (2.1 mm × 50 mm, 1.7 μm, Waters) by linear gradient elution using a mobile phase consisting of 10 mM ammonium formate in water and acetonitrile: isopropanol (1:1, v/v) mixed solution added by 0.25% water and 10 mM ammonium formate. The method demonstrated a good precision and reproducibility. Linear regression analysis showed a good linearity. And potential biomarkers were discovered based on their mass spectra and chemometrics methods. The results demonstrated that the proposed U-HPLC/Q-TOF-MS method was successfully applied to analyze the dynamic changes of phospholipids components in plasma of T2DM mice after drug treatment and could provide a useful data base for meriting further study in humans and investigating pharmacological actions of drugs.
研究领域:
药理学
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代谢组学
·
分析化学
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DOI
高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Yuxia Yang,Jinxi Cui,Zhongli Jiang,Xiuhong Zhao
GC × GC-ToF-MS is increasingly used to analyze complex food flavors due to its high resolution and sensitivity, but few studies have used the method to identify aroma components of bread. For the first time, this study combines GC × GC-ToF-MS and multivariate statistical methods to explore the effects of L. paracasei fermentation on bread flavor characteristics. A total of 1534 volatile organic compounds were identified, of which 447 were obtained by metabolome normalization. Based on the variable importance for the projection and p values, 82 different compounds were screened in L. paracasei bread compared with yeast bread, and the total relative content was 1.52 times higher than that of yeast bread. 2-Furancarboxaldehyde, 5-methyl-, pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester, pyrazine, 2,5-dimethyl- and γ-terpinene are aroma-presenting substances specific to L. paracasei bread that could be potential identification compounds. This study provides a new techno-theoretical approach for the characterization and discrimination of LAB bread flavors.
研究领域:
食品科学
·
微生物学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Minghui Sui,Simin Feng,Gaodan Liu,Bilian Chen,Zhenhao Li,Ping Shao
In this study, ultrasonic-assisted deep eutectic solvent (DES) method was used to extract flavonoids from Dendrobium officinale . The mechanism of DESs extraction differences was investigated by physicochemical characterization and molecular dynamics simulation experiments. Moreover, flavonoids from Dendrobium officinale were rapidly identified and quantitatively analyzed by UPLC-Triple-TOF/MS without removing DES. The results showed choline chloride-lactic acid (Chol-Lac) had the best extraction effect among forty groups of DESs, the extraction yield was up to 35.23 ± 2.12 mg/g. It was speculated that the tight hydrogen bond structure was the key to the better extraction ability of Chol-Lac. Meanwhile, the viscosity was the main physical parameter reflecting the hydrogen bond structure of DES. Fourteen flavonoid glycosides were identified, among which the content of rutin (1.94 ± 0.24 mg/g) was the highest. And the results of cluster analysis showed that different DESs had great differences in the extraction of flavonoid glycosides.
研究领域:
药学
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分析化学
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植物科学
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产品关联
DOI
PubMed
高影响因子
RSC Advances
·
2018
·Vol. 8
·期 5
·2459-2468
·
IF 2.936
Dan Zhang,Yun-ling Gao,Sheng Jiang,Yiwen Chen,Yi Zhang,Zheng Pan
Lamiophlomis rotata (L. rotata) is a Tibetan medicinal herb used for centuries that contains iridoid glycosides (IGs), which are pharmacologically active ingredients and can be used for quality control. The IG profiles of the underground and aerial parts of the plant were determined by UPLC-TOF-MS to evaluate the similarity and variability of the different herbal parts listed in the Chinese Pharmacopoeia. Twenty-six IGs were detected in the total ion current (TIC) profile of L. rotata, and twenty-two of these were identified by comparing the retention times and mass spectra of the compounds to those of authentic standards. Among these compounds, five IGs with the same molecular formula (C17H26O11) were identified for the first time by mass spectrometry based on their different hydroxyl group-substituted positions. The aerial part has a similar chemical profile to that of the roots. The difference between the two parts was determined by multivariate statistical analysis of the UPLC-TOF-MS data of 24 specimens. Sesamoside was explored as the most characteristic marker to distinguish the two parts of L. rotata. To further estimate the distinction between the two parts, the content of total IGs and the antioxidant capacity were investigated in samples from different locations. The aerial parts showed a high content of total IGs and high antioxidant capacity, although not higher than those of the roots. The results also suggest the dosage should be increased when the aerial parts are used as crude medicinal materials instead of the underground parts.
研究领域:
药用植物学
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中药化学
·
质量控制
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产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2024
·
IF 4.9
Nan Zhao,Hao Wang,Jiarui Li,Xi Lin,Liming Guo,Xinhua Guo
Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) is emerging as the most powerful tool for the identification of bacteria. Herein, we demonstrated that the capability of MALDI-TOF-MS towards the discrimination of clinical bacteria can be further dramatically improved. A cooperative matrix consisting of (E)-propyl α-cyano-4-hydroxylcinnamylate (CHCA-C3) and α-cyano-4-hydroxycinnamic acid (CHCA) was used to replace the commonly used matrix CHCA. As a result, 1.4–3.8 times more fingerprint peaks have been identified by the cooperative matrix in comparison with CHCA when six different bacteria were studied. The peaks distribute in the wider m / z range, and the spectral quality has also been significantly improved. As an example of practical applications, the direct and more reliable discrimination between Escherichia coli (E. coli) and Shigella sonnei ( S. sonnei) was achieved based on their protein fingerprints, which was previously claimed to be impossible by CHCA. Thus, a promoted MALDI-TOF-MS platform towards bacterial identification has been established by utilizing the new cooperative matrix, which will exhibit great potential for many applications.
研究领域:
分析化学
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微生物学
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质谱学
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产品关联
DOI
高影响因子
Scientific Reports
·
2019
·Vol. 9
·期 1
·1-14
·
IF 4.011
Zhang Yan,Shi Junling,Ni Yongqing,Liu Yanlin,Zhao Zhixia,Zhao Xixi,Gao Zhenhong
Phomopsis sp. XP-8, an endophytic fungus from the bark of Tu-Chung ( Eucommia ulmoides Oliv) showed capability to biosynthesize pinoresinol (Pin) and pinoresinol diglucoside (PDG) from glucose (glu) and phenylalanine (Phe). To verify the mass flow in the biosynthesis pathway, [ 13 C 6 ]-labeled glu and [ 13 C 6 ]-labeled Phe were separately fed to the strain as sole substrates and [ 13 C 6 ]-labeled products were detected by ultra-high-performance liquid chromatography-quadrupole time of flight mass spectrometry. As results, [ 13 C 6 ]-labeled Phe was incorporated into [ 13 C 6 ]-cinnamylic acid (Ca) and p -coumaric acid ( p -Co), and [ 13 C 12 ]-labeled Pin, which revealed that the Pin benzene ring came from Phe via the phenylpropane pathway. [ 13 C 6 ]-Labeled Ca and p -Co, [ 13 C 12 ]-labeled Pin, [ 13 C 18 ]-labeled pinoresinol monoglucoside (PMG), and [ 13 C 18 ]-labeled PDG products were found when [ 13 C 6 ]-labeled glu was used, demonstrating that the benzene ring and glucoside of PDG originated from glu. It was also determined that PMG was not the direct precursor of PDG in the biosynthetic pathway. The study identified the occurrence of phenylalanine- lignan biosynthesis pathway in fungi at the level of mass flow.
研究领域:
生物化学
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代谢组学
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植物次生代谢
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2021
·
IF 3.935
Yujiao Zhao,Shanshan Chu,Shuangying Gui,Yuejian Qin,Rui Xu,Tingyu Shan,Huasheng Peng
Heshouwu , derived from root tubers of Fallopia multiflor a (Thunb.) Harald., is a well-known herb used for millennia in traditional Chinese medicine. However, different forms of root tubers of Heshouwu have occurred in current Chinese herbal market and used in clinic, although it is still unknown whether their quality is consistent. In the present study, a mass spectrometry imaging and laser microdissection combined with UPLC-Q/TOF-MS were therefore used for the metabolite profiling on the whole and different parts of root tubers of F. multiflora and F. multiflora var. angulata . Our results suggested that the character of “woody heart” root tubers of F. multiflora was similar to that of F. multiflora var. angulata , but the latter had more phloem fibers and larger diameter vessel in the normal vascular bundle. Moreover, 140 compounds including stilbenes, anthraquinones, phenolic acids, naphthalenes, and other compounds were identified or putatively characterized from F. multiflora and F. multiflora var. angulata . Both unsupervised principal component analysis (PCA) and supervised Orthogonal Partial Least Squares Discrimination Analysis (OPLS-DA) multivariate statistics allowed discriminating F. multiflora and F. multiflora var. angulata . And a total of 32 potential markers were identified. The tissue-specific study indicated that the compounds in the phelloderm of F. multiflora and F. multiflora var. angulata were the most abundant. This is the first study on metabolite profiling and comparison of root tubers between F. multiflora and F. multiflora var. angulata , which would provide reasonable basis for further quality evaluation and safe medication of F. multiflora .
研究领域:
中药学
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植物代谢组学
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产品关联
DOI
PubMed
高影响因子
RSC Advances
·
2023
·Vol. 13
·期 14
·9585-9594
·
IF 3.9
Zheng-ming Qian,Xin-jie Cheng,Qiao Wang,Qi Huang,Li-ling Jin,Ya-fei Ma,Jia-sheng Xie,De-qiang Li
Polygonum viviparum L. (PV) is a widely used resource plant with high medicinal, feeding and ecological values. Our studies show that PV has strong antioxidant activity. However, up to date, the antioxidant activity and components in other parts were not fully elucidated. In the present study, a new online pre-column ferric ion reducing antioxidant power (FRAP)-based antioxidant reaction coupled with high performance liquid chromatography-diode array detector-quadrupole-time-of-flight mass spectrometry (HPLC-DAD-TOF/MS) was developed for rapid and high-throughput screening of natural antioxidants from three different parts of PV including stems and leaves, fruits and rhizomes. In this procedure, it was assumed that the peak areas of compounds with potential antioxidant activity in HPLC chromatograms would be greatly diminished or vanish after incubating with the FRAP. The online incubation conditions including mixed ratios of sample and FRAP solution and reaction times were firstly optimized with six standards. Then, the repeatability of the screening system was evaluated by analysis of the samples of stems and leaves of PV. As a result, a total of 21 compounds mainly including flavonoids and phenolic acids were screened from the three parts of PV. In conclusion, the present study provided a simple and effective strategy to rapidly screen antioxidants in natural products.
研究领域:
植物学
·
分析化学
·
药理学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2022
·
IF 3.571
Chao Liu,Ying Luo,Qiaofeng Tao,Liya Hong,Su Zeng
A rapid and highly sensitive method was developed for separation and identification of the related impurities and degradation products in tetracaine hydrochloride by ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS). The chromatographic separation was achieved on an Agilent Infinity Lab Poroshell 120 EC-C18 column (4.6 ×100 mm, 2.7 µm) using gradient elution with mobiles phase of A (10 mM ammonium acetate buffer containing 0.1% formic acid) and B (acetonitrile) at a flow rate of 1.0 mL/min. Forced degradation experiments were also performed under acidic, alkaline, thermal, photolytic, and oxidative stress conditions following ICH guidance. The result revealed that tetracaine hydrochloride is extremely sensitive to oxidation condition and highly sensitive to alkaline/acidic hydrolysis, and susceptible to light condition. In total, five related impurities and seven degradation products were successfully detected in the positive mode of electrospray ionization . The structures of all these impurities were characterized based on the high-resolution MS data and manufacture process, and the fragmentation pathways of tetracaine and these impurities were constructed and discussed. Seven of them have not been reported before, and two of them were specified impurities described in various pharmacopoeias. The fragmentation pathways and plausible mechanisms for the formation of these impurities were proposed.
研究领域:
药学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
CHEMICO-BIOLOGICAL INTERACTIONS
·
2016
·
IF 2.618
Xia Wu,Jian-Cheng Zhu,Yu Zhang,Wei-Min Li,Xiang-Lu Rong,Yi-Fan Feng
Potential impact of lipid research has been increasingly realized both in disease treatment and prevention. An effective metabolomics approach based on ultra-performance liquid chromatography/quadrupole-time-of-flight mass spectrometry (UPLC/Q-TOF-MS) along with multivariate statistic analysis has been applied for investigating the dynamic change of plasma phospholipids compositions in early type 2 diabetic rats after the treatment of an ancient prescription of Chinese Medicine Huang-Qi-San. The exported UPLC/Q-TOF-MS data of plasma samples were subjected to SIMCA-P and processed by bioMark, mixOmics, Rcomdr packages with R software. A clear score plots of plasma sample groups, including normal control group (NC), model group (MC), positive medicine control group (Flu) and Huang-Qi-San group (HQS), were achieved by principal-components analysis (PCA), partial least-squares discriminant analysis (PLS-DA) and orthogonal partial least-squares discriminant analysis (OPLS-DA). Biomarkers were screened out using student T test, principal component regression (PCR), partial least-squares regression (PLS) and important variable method (variable influence on projection, VIP). Structures of metabolites were identified and metabolic pathways were deduced by correlation coefficient. The relationship between compounds was explained by the correlation coefficient diagram, and the metabolic differences between similar compounds were illustrated. Based on KEGG database, the biological significances of identified biomarkers were described. The correlation coefficient was firstly applied to identify the structure and deduce the metabolic pathways of phospholipids metabolites, and the study provided a new methodological cue for further understanding the molecular mechanisms of metabolites in the process of regulating Huang-Qi-San for treating early type 2 diabetes.
研究领域:
代谢组学
·
中医药学
·
生物信息学
✓ 已验证
DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Yijing Pan,Yi Xiao,Meiliang Zhu,Dongmei Guo,Kehong Ming,Shunshun Wang,Xianqiong Liu,Chunli Wang,Kang Xu
Ginger-processed Eucommiae Cortex (G-EC) is a traditional herbal preparation with a long history of clinical application. However, the lack of quantitative standards, undefined chemical transformation pathways, and unidentified quality markers (Q-markers) have hindered its modernization. In this study, we developed an integrated analytical strategy combining comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOF-MS), multivariate statistical analysis, and electronic nose (E-nose) technology to systematically investigate the volatile compound profile and sensory characteristics of Eucommiae Cortex (EC) before and after ginger processing. A total of 2806 volatile compounds were identified in G-EC, including 173 newly generated and 64 eliminated compared to EC. Sixty-five key flavor compounds were characterized, with enhanced woody, herbal, fresh, and minty notes in G-EC. E-nose analysis revealed distinct volatile signatures between EC and G-EC, with alkanes, alcohols, and sulfur-containing compounds as major differentiators. Furthermore, machine learning models combined with SHapley Additive exPlanations (SHAP) enabled accurate classification and interpretation of key chemical features. In conclusion, this study provides novel insights into the chemical transformation induced by ginger processing and offers a theoretical basis for the standardization and modernization of traditional Chinese medicine processing techniques.
研究领域:
中药学
·
分析化学
·
食品科学
·
人工智能
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MICROCHIMICA ACTA
·
2019
·Vol. 186
·期 11
·1-9
·
IF 5.479
Zhen Deshuai,Jiang Ning,Geng Hongchao,Qiao Yan,Liu Yu,Zhu Xingqi,Gao Chan,Grimes Craig A.,Cai Qingyun
Cobalt-doped nanoporous carbon (Co-NPC) with dodecahedral shape was pyrolytically synthesized and applied as a sorbent and matrix for the enrichment and analysis of small molecules by surface-assisted laser desorption/ionization time-of-flight mass spectrometry (SALDI-TOF MS). Extremely low detection limits were accomplished for cetyltrimethylammonium bromide (1 fg·mL −1 ), and Rhodamine B (1 fg·mL −1 ) in water, and Malachite Green and its metabolite in fish blood and fish extracts (pg·mL −1 concentrations).
Schematic representation of cobalt-doped nanoporous carbons (Co-NPCs) applied as SALDI matrix for analysis of toxic contaminants in fish and receipt papers. The Co-NPCs have a high desorption/ionization efficiency and low limit of detection.
研究领域:
分析化学
·
环境科学
·
毒理学
✓ 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）