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Article ; Online: Quality difference analysis of raw and vinegar-processed products of Qingpi based on color and component correlation.

Zhang, Qian / Xue, Rong / Su, Lianlin / Mei, Xi / Xu, Jinguo / Mao, Chunqin / Lu, Tulin

Journal of pharmaceutical and biomedical analysis

2024 Volume 241, Page(s) 115968

Abstract: The dried young fruit of Citrus reticulata Blanco, known as Qingpi, is commonly used in clinic both with its raw and vinegar-processed products. However, the distinctions in quality between these two products remain unclear, and the methods for ... ...

Abstract	The dried young fruit of Citrus reticulata Blanco, known as Qingpi, is commonly used in clinic both with its raw and vinegar-processed products. However, the distinctions in quality between these two products remain unclear, and the methods for identification are considerably intricate. In this study, an electronic eye technique was applied to assess the overall color of Qingpi products before and after processing. The luminosity (L) and yellow-blue (b) values of Qingpi decreased after vinegar processing, while red-green (a*) values increased. The discriminant function models based on color parameters were established to effectively classify the two products. The chemical compositions of different Qingpi products were characterized using ultra-high performance liquid chromatography fingerprint technology, and 10 distinct components were considered as potential chemical markers. The correlation analysis revealed a significant relationship between chromatic values and chemical components. In conclusion, the results of this study suggested that chromaticity can be effectively considered as a valuable instrument for the prediction of component content in both raw and vinegar-processed Qingpi products. This study will provide new ideas and methods for identification and quality evaluation of Qingpi processed products, as well as provide a reference for standardizing traditional Chinese medicine processing techniques.
MeSH term(s)	Drugs, Chinese Herbal/chemistry ; Acetic Acid ; Medicine, Chinese Traditional ; Discriminant Analysis ; Chromatography, High Pressure Liquid/methods
Chemical Substances	Drugs, Chinese Herbal ; Acetic Acid (Q40Q9N063P)
Language	English
Publishing date	2024-01-09
Publishing country	England
Document type	Journal Article
ZDB-ID	604917-5
ISSN	1873-264X ; 0731-7085
ISSN (online)	1873-264X
ISSN	0731-7085
DOI	10.1016/j.jpba.2024.115968
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Article ; Online: A study of the lipid profile of Coix seeds from four areas based on untargeted lipidomics combined with multivariate algorithms to enable tracing of their origin

Chen, Peng / Shi, Yabo / Xiao, Xiaoyan / Xue, Rong / Li, Yu / Li, Lin / Mao, Chunqin / Lu, Tulin / Xu, Conglong

Food Research International. 2023 July, v. 169 p.112740-

2023

Abstract: The geographical traceability of food products is seen as a distinctive feature of the future of food which is increasingly becoming a concern for consumers. In this research, differences in the lipid composition of Coix seed samples from four major ... ...

Abstract	The geographical traceability of food products is seen as a distinctive feature of the future of food which is increasingly becoming a concern for consumers. In this research, differences in the lipid composition of Coix seed samples from four major Chinese origins were investigated using non-targeted lipidomics. By multivariate statistical analysis, unsupervised PCA and OPLS-DA based differentiation between the four origins of Coix seed samples could be achieved. The OPLS-DA VIP > 1 screened 72 lipids out of 1211 lipids as potential markers to distinguish Coix seeds from different origins. In addition, the potential markers (SPH(d16:0), Cer(d18:2/20:0 + O) and PC(8:0e/8:0) were combined with statistical analysis algorithms to construct a discriminant function for rapid differentiation of Coix seed samples from different origins and a specific function for different origins with 100% discrimination accuracy. In general, a rapid and accurate method combining multivariate chemometrics and algorithms was developed based on untargeted lipidomics to determine the geographical origin of Coix seed samples, which can also be applied to other agricultural products.
Keywords	Coix ; chemometrics ; food research ; lipid composition ; lipidomics ; multivariate analysis ; provenance ; traceability ; Non-targeted lipidomics ; Multivariate statistical analysis ; Coix seeds ; Geographical origin ; Discriminant analysis ; CS ; GZXR ; FJNH ; FJPC ; LHJS ; OPLS-DA
Language	English
Dates of publication	2023-07
Publishing place	Elsevier Ltd
Document type	Article ; Online
ZDB-ID	1111695-x
ISSN	1873-7145 ; 0963-9969
ISSN (online)	1873-7145
ISSN	0963-9969
DOI	10.1016/j.foodres.2023.112740
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Study on the quality difference of Cyperus rotundus before and after vinegar processing based on ultra‐high‐performance liquid chromatography‐quadrupole‐time of flight‐mass spectrometry and molecular network combined with color parameters

Shi, Yabo / Mei, Xi / Li, Yu / Li, Mingxuan / Ji, De / Su, Lianlin / Mao, Chunqin / Lu, Tulin

Journal of Separation Science. 2023 Apr., v. 46, no. 8 p.e2200990-

2023

Abstract: Cyperus rotundus is the dry rhizome of the Cyperaceae plant Cyperus. Although there are two types of processed products in clinics, their quality differences are not clear, and the identification methods are more complex. In this study, the chemical ... ...

Abstract	Cyperus rotundus is the dry rhizome of the Cyperaceae plant Cyperus. Although there are two types of processed products in clinics, their quality differences are not clear, and the identification methods are more complex. In this study, the chemical composition of different processed products of Cyperus rotundus was characterized using ultra‐high‐performance liquid chromatography‐quadrupole‐time of flight‐mass spectrometry and molecular network analysis, to identify the potential chemical markers and to establish a quick and simple color‐based discrimination method. Among the 65 compounds analyzed, 12 showed significant differences. Observing the color, the surface brightness (L) of Cyperus rotundus decreased after vinegar processing, while red (a) and yellow (b*) values increased. These color values correlated significantly with chemical compositions. Finally, a color discriminant function was established and verified for raw Cyperus rotundus and vinegar‐processing Cyperus rotundus. Based on this study, Cyperus rotundus' quality can be effectively controlled and provides a method for the comprehensive characterization of chemical components and chemical markers of other traditional Chinese medicine and processed products, as well as new ideas and methods in identification and quality evaluation.
Keywords	Cyperus rotundus ; Oriental traditional medicine ; chemical composition ; color ; mass spectrometry ; rhizomes ; separation ; vinegars
Language	English
Dates of publication	2023-04
Publishing place	John Wiley & Sons, Ltd
Document type	Article ; Online
Note	JOURNAL ARTICLE
ZDB-ID	2047990-6
ISSN	1615-9314 ; 1615-9306
ISSN (online)	1615-9314
ISSN	1615-9306
DOI	10.1002/jssc.202200990
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Article: [Processing Magnoliae Officinalis Cortex with ginger juice: process optimization based on AHP-CRITIC weighting method and composition changes after processing].

Qi, Yu-Fang / Fan, Xing-Chen / Wang, Si-Chen / Su, Yu-An / Zhang, Ke-Wei / Mao, Chun-Qin / Lu, Tu-Lin

Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica

2023 Volume 48, Issue 14, Page(s) 3806–3814

Abstract: The weight coefficients of appearance traits, extract yield of standard decoction, and total content of honokiol and magnolol were determined by analytic hierarchy process(AHP), criteria importance though intercrieria correlation(CRITIC), and AHP-CRITIC ... ...

Abstract	The weight coefficients of appearance traits, extract yield of standard decoction, and total content of honokiol and magnolol were determined by analytic hierarchy process(AHP), criteria importance though intercrieria correlation(CRITIC), and AHP-CRITIC weighting method, and the comprehensive scores were calculated. The effects of ginger juice dosage, moistening time, proces-sing temperature, and processing time on the quality of Magnoliae Officinalis Cortex(MOC) were investigated, and Box-Behnken design was employed to optimize the process parameters. To reveal the processing mechanism, MOC, ginger juice-processed Magnoliae Officinalis Cortex(GMOC), and water-processed Magnoliae Officinalis Cortex(WMOC) were compared. The results showed that the weight coefficients of the appearance traits, extract yield of standard decoction, and total content of honokiol and magnolol determined by AHP-CRITIC weighting method were 0.134, 0.287, and 0.579, respectively. The optimal processing parameters of GMOC were ginger juice dosage of 8%, moistening time of 120 min, and processing at 100 ℃ for 7 min. The content of syringoside and magnolflorine in MOC decreased after processing, and the content of honokiol and magnolol followed the trend of GMOC>MOC>WMOC, which suggested that the change in clinical efficacy of MOC after processing was associated with the changes of chemical composition. The optimized processing technology is stable and feasible and provides references for the modern production and processing of MOC.
MeSH term(s)	Zingiber officinale ; Magnolia/chemistry ; Drugs, Chinese Herbal/chemistry ; Biphenyl Compounds/chemistry ; Lignans/chemistry
Chemical Substances	magnolol (001E35HGVF) ; honokiol (11513CCO0N) ; Drugs, Chinese Herbal ; Biphenyl Compounds ; Lignans
Language	Chinese
Publishing date	2023-07-20
Publishing country	China
Document type	English Abstract ; Journal Article
ZDB-ID	1004649-5
ISSN	1001-5302 ; 0254-0029
ISSN	1001-5302 ; 0254-0029
DOI	10.19540/j.cnki.cjcmm.20230424.302
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Article ; Online: The potential mechanism of Choulingdan mixture in improving acute lung injury based on HPLC-Q-TOF-MS, network pharmacology and in vivo experiments.

Wang, Lili / Li, Zhengyan / Lu, Tulin / Su, Lianlin / Mao, Chunqin / Zhang, Yiting / Zhang, Xinrui / Jiang, Xiaofeng / Xie, Hui / Yu, Xiaoling

Biomedical chromatography : BMC

2023 Volume 37, Issue 10, Page(s) e5709

Abstract: Choulingdan mixture (CLDM) is an empirical clinical prescription for the adjuvant treatment of acute lung injury (ALI). CLDM has been used for almost 30 years in the clinic. However, its mechanism for improving ALI still needs to be investigated. In this ...

Abstract	Choulingdan mixture (CLDM) is an empirical clinical prescription for the adjuvant treatment of acute lung injury (ALI). CLDM has been used for almost 30 years in the clinic. However, its mechanism for improving ALI still needs to be investigated. In this study, high-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry (HPLC-Q-TOF-MS/MS) was applied to characterize the overall chemical composition of CLDM. A total of 93 ingredients were characterized, including 25 flavonoids, 20 organic acids, 11 saponins, nine terpenoids, seven tannins and 21 other compounds. Then network pharmacology was applied to predict the potential bioactive components, target genes and signaling pathways of CLDM in improving ALI. Additionally, molecular docking was performed to demonstrate the interaction between the active ingredients and the disease targets. Finally, animal experiments further confirmed that CLDM significantly inhibits pulmonary inflammation, pulmonary edema and oxidative stress in lipopolysaccharide-induced ALI mice by inhibiting the PI3K-AKT signaling pathway. This study enhanced the amount and accuracy of compounds of CLDM and provided new insights into CLDM preventing and treating ALI.
MeSH term(s)	Animals ; Mice ; Chromatography, High Pressure Liquid ; Molecular Docking Simulation ; Network Pharmacology ; Phosphatidylinositol 3-Kinases ; Tandem Mass Spectrometry ; Acute Lung Injury/chemically induced ; Acute Lung Injury/drug therapy ; Drugs, Chinese Herbal/pharmacology
Chemical Substances	Phosphatidylinositol 3-Kinases (EC 2.7.1.-) ; Drugs, Chinese Herbal
Language	English
Publishing date	2023-08-02
Publishing country	England
Document type	Journal Article
ZDB-ID	632848-9
ISSN	1099-0801 ; 0269-3879
ISSN (online)	1099-0801
ISSN	0269-3879
DOI	10.1002/bmc.5709
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Article ; Online: Study on the quality difference of Cyperus rotundus before and after vinegar processing based on ultra-high-performance liquid chromatography-quadrupole-time of flight-mass spectrometry and molecular network combined with color parameters.

Shi, Yabo / Mei, Xi / Li, Yu / Li, Mingxuan / Ji, De / Su, Lianlin / Mao, Chunqin / Lu, Tulin

Journal of separation science

2023 Volume 46, Issue 8, Page(s) e2200990

Abstract	Cyperus rotundus is the dry rhizome of the Cyperaceae plant Cyperus. Although there are two types of processed products in clinics, their quality differences are not clear, and the identification methods are more complex. In this study, the chemical composition of different processed products of Cyperus rotundus was characterized using ultra-high-performance liquid chromatography-quadrupole-time of flight-mass spectrometry and molecular network analysis, to identify the potential chemical markers and to establish a quick and simple color-based discrimination method. Among the 65 compounds analyzed, 12 showed significant differences. Observing the color, the surface brightness (L) of Cyperus rotundus decreased after vinegar processing, while red (a) and yellow (b*) values increased. These color values correlated significantly with chemical compositions. Finally, a color discriminant function was established and verified for raw Cyperus rotundus and vinegar-processing Cyperus rotundus. Based on this study, Cyperus rotundus' quality can be effectively controlled and provides a method for the comprehensive characterization of chemical components and chemical markers of other traditional Chinese medicine and processed products, as well as new ideas and methods in identification and quality evaluation.
MeSH term(s)	Chromatography, High Pressure Liquid/methods ; Cyperus/chemistry ; Acetic Acid ; Mass Spectrometry ; Drugs, Chinese Herbal/chemistry ; Plant Extracts
Chemical Substances	Acetic Acid (Q40Q9N063P) ; Drugs, Chinese Herbal ; Plant Extracts
Language	English
Publishing date	2023-03-03
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2047990-6
ISSN	1615-9314 ; 1615-9306
ISSN (online)	1615-9314
ISSN	1615-9306
DOI	10.1002/jssc.202200990
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Characterization and intrinsic quality correlation of raw and vinegar-processed Curcumae Radix.

Qin, Yuwen / Li, Mingxuan / Zhang, Jiuba / Li, Yu / Xiao, Xiaoyan / Zhang, Wei / Su, Lianlin / Mao, Chunqin / Ji, De / Lu, Tulin

Journal of pharmaceutical and biomedical analysis

2023 Volume 232, Page(s) 115329

Abstract: Among the existing criteria, the traits of Curcumae Radix (CW) rely on traditional empirical identification, and the correlation between extrinsic traits and intrinsic components hasn't been systematically studied. In this study, a spectrophotometer, HS- ... ...

Abstract	Among the existing criteria, the traits of Curcumae Radix (CW) rely on traditional empirical identification, and the correlation between extrinsic traits and intrinsic components hasn't been systematically studied. In this study, a spectrophotometer, HS-GC-MS, and fast GC e-nose, combined with chemometrics were used to correlate the trait characteristics and intrinsic qualities of CW and vinegar-processed CW (VCW). The overall color of VCW was dark, red, and yellow, but the powder color was similar and difficult to distinguish with the naked eye. The exclusive discriminatory functional equations were established for the characterization between the two. 31 odor components were identified by fast GC e-nose. After vinegar preparation, 3 odor components disappeared and 8 odor components were generated. In addition, there were significant differences between the common components. 27 volatile components were identified by HS-GC-MS, 21 of which were terpenoids. Meanwhile, the difference discrimination models could be used for the rapid and accurate identification of CW and VCW. Through the comprehensive analysis of the color-odor-component, it was speculated that curzerene, germacrene D, and germacrone were potential chemical markers. The quality evaluation model based on the color-odor-composition of trait characteristics combined with internal components provided a basis for rapid identification and quality control of CW and VCW.
MeSH term(s)	Acetic Acid/chemistry ; Plant Roots/chemistry ; Drugs, Chinese Herbal/chemistry ; Gas Chromatography-Mass Spectrometry ; Terpenes/analysis
Chemical Substances	Acetic Acid (Q40Q9N063P) ; Drugs, Chinese Herbal ; Terpenes
Language	English
Publishing date	2023-03-11
Publishing country	England
Document type	Journal Article
ZDB-ID	604917-5
ISSN	1873-264X ; 0731-7085
ISSN (online)	1873-264X
ISSN	0731-7085
DOI	10.1016/j.jpba.2023.115329
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Article ; Online: A study of volatiles of young citrus fruits from four areas based on GC-MS and flash GC e-nose combined with multivariate algorithms.

Zhang, Qian / Xue, Rong / Mei, Xi / Su, Lianlin / Zhang, Wei / Li, Yu / Xu, Jinguo / Mao, Jing / Mao, Chunqin / Lu, Tulin

Food research international (Ottawa, Ont.)

2023 Volume 177, Page(s) 113874

Abstract: The present study has successfully established a scientific and precise approach for distinguishing the geographical origins of young citrus fruits (Qingpi) from four primary production regions in China, using gas chromatography-mass spectrometry (GC-MS) ...

Abstract	The present study has successfully established a scientific and precise approach for distinguishing the geographical origins of young citrus fruits (Qingpi) from four primary production regions in China, using gas chromatography-mass spectrometry (GC-MS) and flash gas chromatography electronic nose (flash GC e-nose) to analyze the volatile composition and odor characteristics. Through the application of chemometric analysis, a clear differentiation among Qingpi samples was established using GC-MS. Additionally, the application of flash GC e-nose facilitated the extraction of flavor information, which enabled the discrimination of geographical origins. Several flavor components were identified as significant factors for origin certification. Furthermore, two pattern recognition algorithms were employed to achieve high accuracy in regional identification. The results of this investigation demonstrate that the amalgamation of multivariate chemometrics and algorithms can proficiently discern the sources of those young citrus fruits. The findings of this research can provide a reference for the assessment of quality control in food and other agricultural commodities in the times ahead.
MeSH term(s)	Gas Chromatography-Mass Spectrometry/methods ; Citrus/chemistry ; Electronic Nose ; Fruit/chemistry ; Algorithms
Language	English
Publishing date	2023-12-20
Publishing country	Canada
Document type	Journal Article
ZDB-ID	1111695-x
ISSN	1873-7145 ; 0963-9969
ISSN (online)	1873-7145
ISSN	0963-9969
DOI	10.1016/j.foodres.2023.113874
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Article ; Online: A study of the lipid profile of Coix seeds from four areas based on untargeted lipidomics combined with multivariate algorithms to enable tracing of their origin.

Chen, Peng / Shi, Yabo / Xiao, Xiaoyan / Xue, Rong / Li, Yu / Li, Lin / Mao, Chunqin / Lu, Tulin / Xu, Conglong

Food research international (Ottawa, Ont.)

2023 Volume 169, Page(s) 112740

Abstract	The geographical traceability of food products is seen as a distinctive feature of the future of food which is increasingly becoming a concern for consumers. In this research, differences in the lipid composition of Coix seed samples from four major Chinese origins were investigated using non-targeted lipidomics. By multivariate statistical analysis, unsupervised PCA and OPLS-DA based differentiation between the four origins of Coix seed samples could be achieved. The OPLS-DA VIP > 1 screened 72 lipids out of 1211 lipids as potential markers to distinguish Coix seeds from different origins. In addition, the potential markers (SPH(d16:0), Cer(d18:2/20:0 + O) and PC(8:0e/8:0) were combined with statistical analysis algorithms to construct a discriminant function for rapid differentiation of Coix seed samples from different origins and a specific function for different origins with 100% discrimination accuracy. In general, a rapid and accurate method combining multivariate chemometrics and algorithms was developed based on untargeted lipidomics to determine the geographical origin of Coix seed samples, which can also be applied to other agricultural products.
MeSH term(s)	Lipidomics/methods ; Coix ; Seeds/chemistry ; Algorithms ; Lipids/analysis
Chemical Substances	Lipids
Language	English
Publishing date	2023-03-21
Publishing country	Canada
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	1111695-x
ISSN	1873-7145 ; 0963-9969
ISSN (online)	1873-7145
ISSN	0963-9969
DOI	10.1016/j.foodres.2023.112740
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Rapid evaluation of Radix Paeoniae Alba and its processed products by near-infrared spectroscopy combined with multivariate algorithms

Zhang, Jiuba / Li, Yu / Wang, Bin / Song, Jiantao / Li, Mingxuan / Chen, Peng / Shen, Zheyuan / Wu, Yi / Mao, Chunqin / Cao, Hui / Wang, Xiachang / Zhang, Wei / Lu, Tulin

Anal Bioanal Chem. 2023 Apr., v. 415, no. 9 p.1719-1732

2023

Abstract: It is well known that the processing method of herbal medicine has a complex impact on the active components and clinical efficacy, which is difficult to measure. As a representative herb medicine with diverse processing methods, Radix Paeoniae Alba (RPA) ...

Abstract	It is well known that the processing method of herbal medicine has a complex impact on the active components and clinical efficacy, which is difficult to measure. As a representative herb medicine with diverse processing methods, Radix Paeoniae Alba (RPA) and its processed products differ greatly in clinical efficacy. However, in some cases, different processed products are confused for use in clinical practice. Therefore, it is necessary to strictly control the quality of RPA and its processed products. Giving that the time-consuming and laborious operation of traditional quality control methods, a comprehensive strategy of near-infrared (NIR) spectroscopy combined with multivariate algorithms was proposed. This strategy has the advantages of being rapid and non-destructive, not only qualitatively distinguishing RPA and various processed products but also enabling quantitative prediction of five bioactive components. Qualitatively, the subspace clustering algorithm successfully differentiated RPA and three processed products, with an accuracy rate of 97.1%; quantitatively, interval combination optimization (ICO), competitive adaptive reweighted sampling (CARS), and competitive adaptive reweighted sampling combined with successive projections algorithm (CARS-SPA) were used to optimize the PLS model, and satisfactory results were obtained in terms of wavelength selection. In conclusion, it is feasible to use NIR spectroscopy to rapidly evaluate the effect of processing methods on the quality of RPA, which provides a meaningful reference for quality control of other herbal medicines with numerous processing methods.
Keywords	Paeonia ; algorithms ; herbal medicines ; models ; near-infrared spectroscopy ; prediction ; quality control ; wavelengths
Language	English
Dates of publication	2023-04
Size	p. 1719-1732.
Publishing place	Springer Berlin Heidelberg
Document type	Article ; Online
ISSN	1618-2642
DOI	10.1007/s00216-023-04570-5
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