International Journal of Electrochemical Science
·
2023
·
IF 1.5
Bin Li,Ruizhi Zhang,Fanfan Du
The monitoring of fermentation processes is an important topic in the food industry. In this work, the method of electrochemical fingerprint was proposed to detect the fermentation process of sour bamboo shoots. At the same time, the contents of total acid, amino acid nitrogen, total sugar and flavonoid of bamboo shoots at different fermentation stages were also measured. The changes of electrochemical fingerprints reflected the changes of flavonoids in the fermentation process of bamboo shoots to some extent. The electrochemical fingerprint data were processed with first and second derivatives. These data were modeled by BP neural network and RBF neural network respectively to train the data of different fermentation stages. The results show that BP neural network is more suitable for identifying different fermentation stages of bamboo shoots.
研究领域:
食品科学
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电化学
·
生物化学
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2019
·
IF 2.983
Yong-Gang Xia,Si-Miao Yu,Jun Liang,Bing-You Yang,Hai-Xue Kuang
A generic strategy based on chemical fingerprinting is proposed for the differentiation of polysaccharides from Astragalus membranaceus (AEP) and A. mongholicus (AOP), using multiple chromatographic and mass spectrometric techniques. Complete and mild acid hydrolysis and Smith degradation were employed for the depolymerization of polysaccharides. The corresponding digested products were efficiently separated and detected using GC–MS, HILIC-ELSD and HR-ESI − -MS. The resulting bottom-up fingerprinting reflected the variations in native polysaccharides, which may be attributed to the three structural levels, which are monosaccharide compositions, glycosidic linkages, and skeletal structure. Similarity analysis from GC–MS and HILIC-ELSD fingerprinting showed that the correlation coefficients from homologous species were more than 0.914, whereas those from heterologous species were less than 0.796. It also noted that characteristic peak area ratio of Man/Gal in Smith fingerprinting could be used a feasible parameter for direct discrimination of AEP and AOP. Principal component analysis from m/z fingerprinting data resulted in clear clustering of AEP and AOP based on changes of oligosaccharides in mild acid hydrolyzates. By combining the accurate m/z , ESI − -MS/MS and methylation assays, the structures of a series of hexose glycopolymers in mild acid hydrolyzates were characterized by predominant 1,6 glycosidic linkages along with minor 1,4 glycosidic linkages. The established chemical fingerprinting is not only an interconnected structure mapping but also a powerful approach for the evaluation of polysaccharides from traditional Chinese medicines.
研究领域:
中药学
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分析化学
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DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
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2018
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IF 1.262
Hui Zhang,Huijie Jiang,Xiaojing Zhang,Shengqiang Tong,Jizhong Yan
Triterpenoids are the major secondary metabolites and active substances in Ganoderma, considered as the “marker compounds” for the chemical evaluation or standardization of Ganoderma. A response surface methodology was used to optimize the ultrasonic-assisted extraction of triterpenoids. The extraction rate was 7.338 ± 0.150 mg/g under the optimum conditions: 87% ethanol, ratio of solid to liquid (w : v) 1 : 28, and ultrasound extraction time 36 min. Based on the high sensitivity and selectivity of HPLC-LTQ-Orbitrap-MSn, 24 components of triterpenoids were tentatively identified in the negative mode. Then, the global chemical profiling consisting of HPLC and TLC fingerprints generated by ChemPattern™ software was developed for evaluation of Ganoderma species. For fingerprint analysis, 11 peaks of triterpenoids were selected as the characteristic peaks to evaluate the similarities of different samples. The correlation coefficients of similarity were greater than 0.830. The cluster analysis showed a clear separation of three groups, and 11 peaks played key roles in differentiating these samples. The developed global chemical profiling method could be applied for rapid evaluation, quality control, and authenticity identification of Ganoderma and other herbal medicines.
研究领域:
药用植物学
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分析化学
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DOI
高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
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2022
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IF 9.221
Qi Xiao,Zhenzeng Zhou,Zijie Shen,Jiandan Chen,Chunchuan Gu,Lihua Li,Fengnong Chen,Hongying Liu
Medicinal plants have been widely used in the treatment of various diseases for human health. We developed a novel method for the identification of closely related medicinal plants using a machine learning (ML)-based electrochemical fingerprinting platform. Firstly, the system featured a bare glassy carbon electrode capable of recording the voltammetric response of active components in medicinal plants as electrochemical fingerprints. Subsequently, different algorithms and various datasets were employed to analyze the correlation between the above electrochemical fingerprint data and the medicinal plant species . As a proof-of-concept, 6 species of Anoectochilus roxburghii ( A. roxburghii ) were selected as the verification samples. The electrochemical fingerprints of the samples were measured by differential pulse voltammetry in two buffer solutions. Thereafter, four powerful ML algorithms were utilized for the identification of A. roxburghii with different datasets. The results showed that the accuracy of identifying species reached 94.4 % by the nonlinear support vector machines based on the slope data of electrochemical responses in two buffer solutions, evidencing the successful discrimination of closely related medical plants by this method. Additionally, ML combined with electrochemical fingerprinting approaches had the advantages of being rapid, affordable, and straightforward, which provided potential applications in pharmaceutical research and plant taxonomy.
研究领域:
药用植物研究
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分析化学
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人工智能
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Ningxin Li,Man Zheng,Xinqin Kong,Yang Zhou,Xinrui Yang,Qingqing He,Jing Zhou,Zijia Zhang,Jinjun Hou,Wanying Wu
Gastrodiae Rhizoma (Tianma, GR), the dried tuber of Gastrodia elata Bl., is a valuable herb for medicinal and dietary applications. Current markets feature three key cultivars: G. elata f. glauca (WTM), G. elata f. elata (HTM), and their hybrid (WHTM), with significant price variations yet lacking defined chemical authentication markers. Here, we implemented a pseudotargeted LC-MS/MS metabolomics strategy employing 534 optimized MRM transitions. This strategy was coupled with multivariate analysis – unsupervised principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) – of 40 authenticated batches, to decipher cultivar-specific chemical fingerprints. The approach identified 88 statistically validated markers, with 14 pivotal discriminators—primarily 4-Hydroxybenzyl alcohol derivatives—exhibiting distinct cultivar distribution patterns. This chemical blueprint serves as a tool for authentication in quality control and supports regulatory standard establishment for GR products.
研究领域:
中药学
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分析化学
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植物代谢组学
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DOI
PubMed
高影响因子
MOLECULES
·
2024
·Vol. 29
·期 5
·1035
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IF 4.2
Kaihua Guo
Enzymatic hydrolysis using pectinase is critical for producing high-yield and quality sea buckthorn juice. This study determined the optimal temperature, time, and enzyme dosage combinations to guide manufacturers. A temperature of 60 °C, hydrolysis time of 3 h, and 0.3% enzyme dosage gave 64.1% juice yield—25% higher than without enzymes. Furthermore, monitoring physicochemical properties reveals enzyme impacts on composition. Higher dosages increase soluble solids up to 15% and soluble fiber content by 35% through cell wall breakdown. However, excessive amounts over 0.3% decrease yields. Pectin concentration also declines dose-dependently, falling by 91% at 0.4%, improving juice stability but needing modulation to retain viscosity. Electrochemical fingerprinting successfully differentiates process conditions, offering a rapid quality control tool. Its potential for commercial inline use during enzymatic treatment requires exploration. Overall, connecting optimized parameters to measured effects provides actionable insights for manufacturers to boost yields, determine enzyme impacts on nutrition/functionality, and introduce novel process analytical technology. Further investigations of health properties using these conditions could expand sea buckthorn juice functionality.
研究领域:
食品科学
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酶工程
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PubMed
高影响因子
CHEMOSPHERE
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2023
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IF 8.8
Juan Sun,Xiaoyang Wang,Quanwei Song,Ran Li,Jiacai Xie,Xiaoqing Yang,Liuping Cai,Zihao Wang,Chaocheng Zhao,Xiuxia Zhang
Chemical fingerprinting is essential for identifying the presence and responding to oil spills that frequently contaminate the groundwater environment of refineries. In this study, crude oil and oil products from the atmospheric and vacuum distillation units of a refinery were analyzed by gas chromatography-mass spectrometry (GC-MS) to evaluate their chemical variability before and after refinery. A series of experiments involving evaporation and soil column penetration were conducted to simulate refined oil spilling into groundwater and determine appropriate characteristic ratios (CRs) for principal component analysis (PCA) for oil source identification. The simulated study demonstrated that all products had bell-shaped n -alkane distributions, with dominant peaks that remained unchanged or shifted towards longer chain lengths compared to the source oil. Similarly, naphthalene and dibenzothiophene series remained the main PAH components like the source oil. Ten relatively stable CRs were selected for PCA to identify different oil products through the simulated experiments. The chosen CRs were then utilized to identify the sources for two groundwater oil spills recently occurred, one that occurred in an oil depot area, and another near a continuous catalytic reforming unit in a refinery. This study showed that the components with long-chain n -alkanes (n ≥ C 18 ), pristane, phytane, and phenanthrene and dibenzothiophene series PAHs played an important role in the identification of refined oil products spilling into the groundwater environment. The selected CRs provide an effective tool for rapid and accurate identification of oil spills, especially for newly occurring spills in the groundwater environment, which can aid in developing appropriate response strategies.
研究领域:
环境科学
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化学
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DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2019
·Vol. 33
·期 9
·e4581
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IF 1.748
Zheng Zhang,Yuqing Tang,Bocheng Yu,Jiaming Ying,Bingchu Wu,Jinyi Wu,Jinshun Zhao,Zhenjun Chen,Jinyan Xu,Chunlan Tang
The chemical fingerprinting and metabolite profile in a rat plasma sample after intragastric administration of Yangyin qingfei decoction (YYQFD, 14 g/kg) were investigated. First, YYQFD was analyzed by UPLC/Q-TOF MS to establish the chemical composition database by comparing their retention behavior, accurate molecular mass and MS 2 data with those of references or known compounds in the literature. In this database, 100 chemical constituents with information on retention time, molecular mass, molecular formula, MS 2 data and compound name were identified, which can provide compound information for further metabolite profiling studies. Furthermore, 64 compounds including 37 prototypes and 27 metabolites were detected in the dosed rat plasma sample, and the metabolic pathways of YYQFD were hydrolyzation, hydroxylation, dehydrogenation, glucuronidation, glucosylation, sulfation and mixed modes. Among the five component herbs in the YYQFD, Glycyrrhizae Radix et Rhizome and Fritillariae Thunbergii bulbs were actively metabolized, contributing 16 and 7 metabolites, respectively. It is suggested that chemical characterization and metabolite profiling studies are valuable to elucidate the material basis of herbal preparations.
研究领域:
中药学
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分析化学
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药代动力学
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DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2020
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IF 6.785
Xiangnan Zhang,Hong Zhang,Kai Yu,Na Li,Yuning Liu,Xiangyu Liu,Hengnan Zhang,Bin Yang,Wenhai Wu,Jing Gao,Jie Jiang
Microplastics (MPs) pollution has drawn increasing concern due to its widespread occurrence and potential risks in the environment. The reliable methods and instruments for fast analysis of microplastics (MPs) less than 5 mm are urgently needed. In this study, a new method based on custom-made portable pyrolysis-mass spectrometry (Pyr-MS) is developed, which enables rapid identification and mass related quantification of MPs. MPs are decomposed in the compact pyrolyzer and then directly analyzed in the portable MS by the chemical fingerprints of polymers including characteristic ions and their special ratio. It avoids the complex extraction and separation procedures of the pyrolysis/thermogravimetric–gas chromatography–mass spectrometry (Pyr/TGA-GC-MS), realizes the rapid analysis of MPs in 5 min, and thus can practically apply to a large number of MPs samples. In comparison to Fourier transform infrared spectroscopy (FT-IR) and Raman, this method is not limited by the shape, size, and color of MPs. Four common plastics including polyethylene (PE), polypropylene (PP), polystyrene (PS), and poly(methyl methacrylate) (PMMA) were investigated to verify the feasibility of this method. The environmental MPs samples collected from a beach were successfully identified and quantified, demonstrating the simplicity and practicality of this approach. The influence of plastics aging on the chemical fingerprints and the potential of mixed plastics detection by Pyr-MS are also assessed. The portable Pyr-MS could provide a promising tool for in-field analysis of MPs such as ship-based marine MPs surveys.
研究领域:
环境科学
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分析化学
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DOI
PubMed
高影响因子
Separation Science Plus
·
2024
·Vol. 7
·期 6
·2400021
·
IF 1.3
Duan Yu,Guo Zhongjing,Zhao Zhimin,Yang Depo,Xu xinjun
In this paper, a simple and efficient high-performance liquid chromatography method was established to analyze the chemical composition fingerprint of Centellae Herba (CHA) and determine five triterpenoid active components in CHA, namely, asiaticoside B (AB), madecassoside, asiaticoside, madecasic acid, and asiaticoic acid. The separation of the compounds was carried out on an XD-C18 column (250 mm × 4.6 mm, 5 µm), the wavelength of the ultraviolet detector was set to 205 nm, and the mobile phase was composed of acetonitrile −0.05% phosphoric acid, 2 mmol/L β-cyclodextrin aqueous solution, and gradient elution at the flow rate of 1.0 mL/min. A general chromatographic fingerprint consisting of 20 characteristic peaks of 18 batches of CHA samples was established, and the samples were classified and evaluated by similarity analysis, hierarchical cluster analysis, and principal component analysis combined with multivariate econometric analysis. In quantitative analysis, all calibration curves showed good linear regression in the test range ( r > 0.999), the average recovery was 96.12%–104.63%, and the relative standard deviations of repeatability and stability were less than 2.00%. The results show that the method is accurate and effective and can be used for the comprehensive quality control of CHA.
研究领域:
药学
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分析化学
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DOI
高影响因子
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2022
·Vol. 30
·期 9
·24470-24478
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IF 5.19
Ma Ge,Xiao Han,Wei Xinming,Xiao Anshan,Sun Xiaoying,Gao Xiang
Oil leakage from water coolers in refinery circulating water occurs from time to time, which affects the long-term and stable operation of refinery units. So far, workers in the refineries still adopt manual check methods, opening water coolers one by one and checking the water’s smell and color to find out the spilled water coolers. In this study, a more rapid method of source appointment of oil spill in the circulating water by combining chemical fingerprinting with model recognition was developed. Firstly, chemical fingerprints including benzene/naphthalene series, and light hydrocarbon (C 3 -C 5 ) in oil samples from all water coolers in the refinery fluid catalytic cracking (FCC) unit were analyzed by gas chromatography-mass spectrometry (GC/MS). Gasoline, diesel, and poor oil could be distinguished in terms of benzene and naphthalene distribution. The three similar types of gasolines could be distinguished by the volatile hydrocarbons especially C 3 -C 4 . The classification model for the spill of gasoline, diesel, and poor oil in circulating water was constructed by the partial least squares discriminant analysis algorithm with a 100% correct classification rate at the concentration more than 10 ppm. The gasoline spills in the circulating backwater of the refinery were successfully recognized by the classification model. This method enables the rapid prediction of oil spill type in refinery circulating water, and a similar method by installing online instrument and software potentially can be used for monitoring the circulating water in real time.
研究领域:
环境科学
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石油化工
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DOI
PubMed
高影响因子
International Journal of Electrochemical Science
·
2023
·Vol. 17
·期 10
·221060
·
IF 1.5
Zhiguo Lu,Yuhong Zheng,Yin Shen,Li Fu,Lichuan Zhan,Wenbin Zhang
Michelia belongs to Magnoliaceae and has important timber, medicinal, oil and ornamental values. The wide morphological variation of this genus and the hybridization among some species make it difficult to classify. There are controversies about the systematic relationships and status of species within the genera. In this communication, we have made the first taxonomic survey of species of the genus Michelia using electrochemical fingerprinting. The molecules corresponding to the oxidation peaks in the electrochemical fingerprints were explored. The electrochemical fingerprints collected under different conditions were used to construct density pattern. Texture features and local binary pattern algorithms are used to the identification of different species. The results of the phylogenetic tree generated based on electrochemical fingerprinting differed significantly from those of traditional morphological taxonomy. However, these results are in good agreement with the phylogenetic trees generated by chloroplast sequencing.
研究领域:
植物系统学
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分析化学
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分子系统学
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化学生物学
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植物分类学
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DOI
高影响因子
危险品化学品经营许可证（带存储）