PLoS One
·
2015
·Vol. 10
·期 3
·e0120480
·
IF 3.234
Qiang Lv,Fenglei Luo,Xiaoyong Zhao,Yu Liu,Guibing Hu,Chongde Sun,Xian Li,Kunsong Chen
Content of total proanthocyanidins as well as total phenolics, flavonoids, antioxidant activities were evaluated for litchi ( Litchi chinensis Sonn.) pulp of 32 cultivars. One cultivar, Hemaoli, showed the highest total proanthocyanidins and total phenolics, and DPPH or ABTS radical scavenging activities. ESI-MS and NMR analysis of the Hemaoli pulp crude extracts (HPCE) showed that procyandins composed of ( epi )catechin unites with degree of polymerization (DP) of 2–6 were dominant proanthocyanidins in HPCE. After the HPCE was fractionated by a Sephadex LH-20 column, 32 procyanidins were identified by LC-ESI-Q-TOF-MS in litchi pulp for the first time. Quantification of individual procyanidin in HPCE indicated that epicatechin, procyanidin B2, procyanidin C1 and A-type procyanidin trimer were the main procyanidins. The radical scavenging activities of different fractions of HPCE as well as six procyanidins standards were evaluated by both DPPH and ABTS assays. HPCE fractions showed similar antioxidant activities with those of Vc and six individual procyanidins, the IC 50 of which ranged from 1.88 ± 0.01 to 2.82 ± 0.10 μg/ml for DPPH assay, and from 1.52 ± 0.17 to 2.71 ± 0.15 μg/ml for ABTS assay. Such results indicate that litchi cultivars rich in proanthocyanidins are good resources of dietary antioxidants and have the potential to contribute to human health.
研究领域:
食品科学
·
植物化学
·
营养学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2024
·
IF 8.5
Huijuan Gao,Qian Wang,Qiangli Qi,Wenjing He,Wen Li
Hops , extensively cultivated in China for their food and medicinal applications, currently lack well-defined chemical markers to evaluate variations in their quality. The study aimed to explore variations in the quality of Chinese hops by the chemical characteristics of hops, employing UPLC-Q-TOF/MS, integrated with chemical fingerprinting and chemometrics. The results indicated that Chinese hops are abundant in polyphenols and bitter acids. The integration of UPLC-Q-TOF/MS, Chemical fingerprinting, and chemometrics revealed to be an accurate and effective approach for assessing the quality of Chinese hops. In this study, ten important chemical markers were found to be useful in differentiating various hop varieties. Moreover, the support vector machine showed a prediction accuracy of 92.3077% in identifying Chinese hop varieties. The strategy of the study lays the groundwork for classifying Chinese hop varieties and serves as a prerequisite for future quality control studies, particularly focusing on chemical compositions.
研究领域:
植物化学
·
分析化学
·
药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Chemistry
·
2021
·
IF 2.506
Xinxin Chen,Junmao Li,Renyikun Yuan,Youqiong Zhuo,Yangling Chen,Chenwei Zhang,Ming Chen,Hong-Wei Gao,Zhenjie Liu,Yulin Feng,Zheng-Tao Wang,Shilin Yang
Ilicis Rotundae Cortex (IRC) consists of the bark of Ilex rotunda Thunb, and its chemical constituents mainly include flavonoid glycosides, phenols, and triterpenoid saponins. In this study, a preliminary analysis was performed to identify and obtain the chemical components from IRC to better control the quality of the medicinal materials and provide a chemical basis for the study of the efficacy of the active components. Simple and efficient sample pretreatment and ultrasonic-assisted extraction methods were used to analyze the mass spectrum fragments and fracture modes in the anion mode by UPLC-Q-TOF-MS/MS. Using a two-step strategy, the neutral loss, diagnostic ions, and characteristic fragments were studied to screen diverse skeletons and substitutions, and the possible compounds were identified by comparison with databases. The representative compounds were compared with the standard, and the mass spectrogram was found to match perfectly. Thus, our findings reveal that this method is feasible and reliable and can be used to analyze the chemical components of IRC. We identified 105 compounds, including 22 triterpenoid saponins, 15 chlorogenic acids, 33 phenylpropanoids and phenylpropanosides, 3 iridoids, 1 flavonoid, 10 lignans, 12 glycosides, and 9 other compounds. This method lays the foundation for further elucidating the pharmacodynamics of IRC and provides a practical method for the identification of IRC.
研究领域:
中药学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2018
·Vol. 23
·期 7
·1650
·
IF 3.098
Jing Tan,Cuizhu Wang,Hailin Zhu,Baisong Zhou,Lingxin Xiong,Fang Wang,Pingya Li,Jinping Liu
Blood stasis syndrome (BSS) is one of the most common Chinese medicine patterns in coronary heart disease. Our previous work proved that Xueshuan Xinmaining Tablet (XXT) could treat blood stasis through regulating the expression of F13a1, Car1 and Tbxa2r. In the current study, the effect and mechanism of XXT on BSS was comprehensively and holistically investigated based on a metabolomics approach. Urine and plasma samples of 10 BBS rats treated with XXT (XT), 9 BSS model rats (BM) and 11 normal control (NC) rats were collected and then determined by UPLC-Q/TOP-MS. Multivariate analyses were applied to distinguish differentiate urinary and plasma metabolite patterns between three groups. Results showed that a clear separation of three groups was achieved. XT group was located between BM group and NC group, and showing a tendency of recovering to NC group, which was consistent with the results of hemorheological studies. Some significantly changed metabolites like cortexolone, 3α,21-dihydroxy-5β-pregnane-11,20-dione and 19S-hete and leukotriene A4, chiefly involved in steroid hormone biosynthesis, arachidonic acid metabolism and lipid metabolism, were found and identified to explain the mechanism. These potential markers and their corresponding pathways will help explain the mechanism of BSS and XXT treatment. This work also proves that metabolomics is effective in traditional Chinese medicinal research.Keywords:blood stasis syndrome;Xueshuan Xinmaining tablet;UPLC-Q/TOF-MS;rats;metabolomics
研究领域:
中医药学
·
代谢组学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYST
·
2023
·Vol. 148
·期 22
·5650-5657
·
IF 4.2
Wenjing Gao,Ying Han,Liangqiang Chen,Xue Tan,Jieyou Liu,Jinghang Xie,Bin Li,Huilin Zhao,Shaoning Yu,Huabin Tu,Bin Feng,Fan Yang
Microbes are usually present as a specific microbiota, and their classification remains a challenge. MALDI-TOF MS is particularly successful in library-based microbial identification at the species level as it analyzes the molecular weight of peptides and ribosomal proteins. FT-IR allows more accurate classification of bacteria at the subspecies level due to the high sensitivity, specificity and repeatability of FT-IR signals from bacteria, which is not achievable with MALDI-TOF MS. Previous studies have shown that more accurate identification results can be obtained by the fusion of FT-IR and MALDI-TOF MS spectral data. Here, we constructed 20 groups of model microbiota samples and used FT-IR, MALDI-TOF MS, and their fusion data to classify them. Hierarchical clustering analysis (HCA) showed that the classification accuracy of FT-IR, MALDI-TOF MS, and the fusion data was 85%, 90%, and 100%, respectively. These results indicate that both FT-IR and MALDI-TOF MS can effectively classify specific microbiota, and the fusion of their spectral data could improve the classification accuracy. The FT-IR and MALDI-TOF MS data fusion strategy may be a promising technology for specific microbiota classification.
研究领域:
微生物学
·
光谱学
·
生物信息学
✓ 已验证
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2011
·
IF 5.874
Hongqiang Qin,Liang Zhao,Ruibin Li,Ren’an Wu,Hanfa Zou
Many diseases are characterized by the changes of either glycan structure or glycosylation site of glycoproteins. The glycan profiling can provide the overview of glycosylation in despite of the absence of the glycosylation sites, which in turn simplifies the complexity of disease diagnosis. Herein, we describe a simple method to profile the N-linked glycans by MALDI-TOF MS with the enrichment using oxidized ordered mesoporous carbon, taking advantages of the size-exclusive effect of mesopore against proteins as well as the interaction between glycans and carbon. Twenty four N-linked glycans derived from ovalbumin could be efficiently detected with high signal-to-noise (S/N) ratios and sufficient peak intensities. In the analysis of complex serum samples, 32 N-linked glycans could be profiled, and 5 (4 core-fucosylated glycans) of them were distinguished from liver cancer and healthy samples.
研究领域:
分析化学
·
生物医学
·
蛋白质组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2017
·Vol. 22
·期 11
·1927
·
IF 2.861
Yanni Cao,Shengzuo Fang,Zhiqi Yin,Xiangxiang Fu,Xulan Shang,Wanxia Yang,Huimin Yang
Cyclocarya paliurusis an edible and medicinal plant containing various bioactive components with significant health benefits. A combinative method using high-performance liquid chromatography (HPLC) fingerprint and quantitative analysis was developed and successfully applied for characterization and quality evaluation ofC. paliurusleaves collected from 18 geographical locations of China. For the fingerprint analysis, 21 common peaks were observed among the 18 samples, and these peaks were identified by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC–Q–TOF–MS), while a simultaneous quantification of 16 markers was conducted to interpret the variations of contents of these bioactive compounds among theC. paliurusleaves from different geographical locations. Quantification results showed that the contents of these sixteen investigated compounds varied greatly among the leaves from different locations. The developed new method would be a valuable reference for further study and development of this bioactive plant.Keywords:Cyclocarya paliurus;fingerprint;HPLC–Q–TOF–MS;quantitative analysis;quality evaluation
研究领域:
生药学
·
分析化学
·
植物科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
International Journal of Gastronomy and Food Science
·
2024
·
IF 3.2
Chaonan Sun,Wenhui Zhu,Ying Bu,Yue Ning,Jianrong Li,Xuepeng Li
In this work, the ultrasound-assisted enzymatic (UAE) conditions for salty compounds from Manila clam were optimized using a combination of fractional factorial design (FFD) and Box-Behnken design (BBD). The optimum protein extraction rate (40.13 ± 0.37), DH (25.92 ± 0.78), and salty score (4.01 ± 0.02) of salty extract were achieved with a solid-liquid ratio of 1:4 (w/w), hydrolysis temperature of 49 °C, and ultrasound time of 10 min. Sensory results showed that the UAE hydrolysates exhibited pronounced saltiness (6.25 ± 0.03) and umami (6.62 ± 0.03), with an impressively low detection threshold for salty taste at 69 mmol/L. The electronic tongue analysis revealed that the UAE hydrolysate had a distinct saltiness (3.73 ± 0.05), umami (8.96 ± 0.02) and richness (0.83 ± 0.00). The molecular weights of the peptides in the UAE solution were 84.497 Da, 211.710 Da, 380.530 Da, 568.644 Da and 830.696 Da, respectively. It was rich in alcohols, ketones and furans, and total of 79 volatile compounds (VOCs) were identified. After ultrasonic pretreatment, the content of organic acids was significantly increased, the content of succinic acid was 8.5 ± 0.24, and the content of malic acid was 4.68 ± 0.07. In conclusion, ultrasound-assisted enzymatic is an effective treatment for the extraction of salty compounds.
研究领域:
食品科学
·
生物化学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Minrui Zhou,Ting Li,Lingling Shen,Qisheng Zhong,Taohong Huang,Ting Zhou
This study introduces a method for authenticating organic milk and determining its geographic region using matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS). Both lipids and peptides were analyzed, and their combined dataset significantly improved classification accuracy when integrated with machine learning models. To improve method reproducibility, a binary matrix composed of α-cyano-4-hydroxycinnamic acid and 2,5-dihydroxybenzoic acid, combined with a vacuum drying strategy, was implemented. This approach reduced the relative standard deviation by approximately 25 % compared to traditional matrices. Multivariate statistical analysis identified key lipids and peptides as markers for discriminating organic from conventional milk and for geographic region classification. Integrating the lipid-peptide dataset with machine learning achieved up to 100 % accuracy, outperforming models based on single-dataset. Additionally, two-way ANOVA revealed that farming system, geographic region and their interactions significantly influenced milk composition. This method demonstrates the potential of combining MALDI-TOF MS with machine learning to prevent organic milk fraud.
研究领域:
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Current Pharmaceutical Analysis
·
2019
·Vol. 15
·期 6
·580-591
·
IF 0.829
Yu Dandan,Liang Xianrui
Introduction: The root of Millettia speciosa Champ. (Leguminosae) is one of the wellknown traditional Chinese medicines abundant in phenolic compounds and plays important roles in the treatment of pain or numbness of the joints, blood deficiency sallow, chronic bronchitis and chronic
hepatitis. Objective: An ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) based chemical profiling approach was established for the separation and characterization of isoflavonoids in the roots of Millettia speciosa
Champ. Methods: The roots of Millettia speciosa Champ. were prepared by ethanol extraction followed by further extraction with chloroform. The extracts were analyzed by UPLC-Q-TOF-MS in positive and negative electrospray ion modes at different Collision Energy (CE) values. Results:
A total of 48 components were simultaneously detected, of which 38 components, including 21 isoflavones, 4 phenolic acids, 4 isoflavanones, 2 phenolic aldehydes, 2 flavanones, 1 aliphatic acid, 1 chalcone, 1 flavonol, 1 isoflavane and 1 pterocarpan were unambiguously identified or tentatively
assigned based on the retention time, UV spectra, characteristic molecular ions, MS/MS fragmentation data and reference standards. The isomers of isoflavonoids were distinguished using accurate mass, the diagnostic fragmentations of C-ring and UV spectra. The major diagnostic fragment ions
of isoflavonoids were observed and the corresponding fragmentation pathways were proposed. Conclusion: This investigation provides important analysis data for further quality control, pharmacological and toxicological research on Millettia speciosa Champ.
研究领域:
植物化学
·
药学
·
分析化学
✓ 已验证
DOI
高影响因子
RSC Advances
·
2018
·Vol. 8
·期 53
·30616-30623
·
IF 2.936
Jing Chen,Ying Yuan,Xiaoku Ran,Na Guo,Deqiang Dou
Background: Panax ginseng Meyer which has been cultivated and grown naturally in mountainous forests is formally called “Lin-Xia-Shan-Shen” (LXSS), but when cultivated it is called garden ginseng (GG), according to the Chinese Pharmacopoeia (2015 edition). The medicinal value of LXSS is significantly higher than that of GG based on the clinical experience of TCM. This study aimed to evaluate the variety of chemical constituents in LXSS and GG. Methods: 18 LXSS and 6 GG samples were investigated using a UPLC-Q-TOF-MS technique. Results: the contents of 16 metabolites, mainly involved in the biosynthesis of rare ginsenosides (ginsenosides Rg3, -Rh1, -Rh2), galactose metabolism (myo-inositol), the citric cycle (citric acid and succinic acid), GABA shunt (GABA) and amino metabolism (alanine and aspartic acid), were higher in LXSS than in GG; while 14 metabolites, mainly involved in starch and sucrose metabolism (fructose and sucrose), amino metabolism (tryptophan, proline, dencichine and pyroglutamic acid) and campesterol biosynthesis (campesterol), were lower in LXSS than in GG. For LXSS with different growing years, 5 metabolites showed a tendency to increase dependent on the number of years, and these were related mainly to galactose metabolism (melibiose), the citric cycle (malic acid), fatty acid metabolism (2-hydroxy stearic acid); while 5 metabolites showed a tendency to decrease on ascending the grades, and these were related to sucrose metabolism (fructose and sucrose), fatty acid metabolism (2-hydroxy hexadecanoic acid) and campesterol biosynthesis (campesterol). Conclusion: this proposed analytical method coupled with multivariate analysis is fast, accurate, and reliable for discriminating GG and high cultivation ages of LXSS samples.
研究领域:
中药学
·
分析化学
·
植物代谢
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2025
·Vol. 26
·期 8
·3914
·
IF 4.9
Ruxi Gao,Fanyi Wang,Xiang Liu,Chu Yuan,Guoshun Shan
This study investigated the therapeutic mechanism of Rehmanniae Radix Praeparata (RRP) in treating blood deficiency syndrome (BDS) through integrated chemical analysis and pharmacological validation. UPLC-Q-TOF-MS identified chemical components of Rehmanniae Radix (RR) and RRP, with network pharmacology analysis suggesting AKT1 and NOS3 in the PI3K-AKT pathway as potential therapeutic targets. Pharmacodynamic evaluations using ELISA, hematological analysis, histopathology, and immunohistochemistry demonstrated RRP’s efficacy in improving hematological parameters, energy metabolism, and organ pathology in BDS mice. Experimental validation via RT-qPCR and Western blot confirmed significant upregulation of AKT1 and NOS3 mRNA and protein expression following RRP treatment. The findings indicate that RRP alleviates BDS by activating the PI3K-Akt signaling pathway to modulate AKT1 and NOS3 expression, providing mechanistic insights into its therapeutic actions.
研究领域:
中药学
·
分子生物学
·
网络药理学
·
病理学
✓ 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）