Library-based UHPLC-Q-Exactive-Orbitrap-MS Putative Identification of Isomeric and Non-isomeric Compounds from Shenling Baizhu Granule and its Pharmacopoeia Quality-marker Chemistry DOI Creative Commons
Xican Li,

Jingyuan Zeng,

Rongxin Cai

и другие.

Authorea (Authorea), Год журнала: 2023, Номер unknown

Опубликована: Май 22, 2023

Shenling Baizhu Granule, a traditional Chinese medicine prescription comprising Renshen, Gancao, and Shanyao, has been widely consumed in China nowadays. However, its pharmacopoeia quality-marker (Q-marker) not defined The study thus used novel strategy, i.e., library-based ultra-high-performance liquid chromatography-quadrupole-orbitrap mass spectrometry, to analyze lyophilized aqueous powder. strategy simultaneously putatively 77 compounds; Especially, 32 isomeric compounds have strictly distinguished, including ferulic acid isoferulic acid; liquiritigenin isoliquiritigenin; 3,4-dicaffeoylquinic 4,5-dicaffeoylquinic schaftoside isoschaftoside; ginsenoside Re Rd; Rc Rb2; daidzein 7,4’-dihydroxyflavone; luteolin kaempferol; butin S- naringenin; calycosin prunetin; isovitexin cosmosiin; orientin quercitrin; costunolide alantolactone; 2’-hydroxydaidzein, genistein, apigenin; Rg2, 20R -ginsenoside Rg3, 20S Rg3. In addition, 45 non-isomeric also identified. Combining with the quantum chemistry calculation UV-vis spectra scanning results, 4 are recommended as Q-marker candidates, glycyrrhizic acid, Re, Rb1, diosgenin. four can be qualitatively assess materials of prevent possible adulterant.

Язык: Английский

Integrated Uhplc-Q-Exactive-Orbitrap Ms/Ms and Abts Analyses Screen Antioxidant and Anti-Counterfeiting Marker of Eucommiae Cortex (Duzhong) for Pharmacopoeias DOI

Rongrong Lin,

Xican Li, Shuqin Liu

и другие.

Опубликована: Янв. 1, 2024

Eucommiae Cortex (Duzhong) has been collected in the several Pharmacopoeias. However, its Pharmacopoeia quality-marker is outdated and unreasonable. The study therefore used database-aided ultra-high-performance liquid chromatography coupled with hybrid quadrupole-orbitrap tandem mass spectrometry (UHPLC-Q-Exactive-Orbitrap MS/MS) analysis, to putatively identify 33 compounds from Cortex. Especially, 14 "unexcavated" were detected out for first time; Meanwhile, all monocaffeoylquinic acid isomers (i.e., 1-O-, 3-O-, 4-O-, 5-O- caffeoylquinic acids) have strictly distinguished each other three dicaffeoylquinic (1,3-O-, 3,5-O-, 4,5-O- as well. All identified further subjected a semi-quantification through which chloesteryl acetate (4.11 ± 0.46%), sucrose (3.53 0.063%), (-)-syringaresinol (2.81 1.31%) found be highly abundant. Furthermore, results integrated ABTS+• antioxidant assay calculate contribution of individual compounds. (-)-Syringaresinol, neochlorogenic acid, vanillic chlorogenic (-) pinoresinol proven top five contributors, their values 97.50, 46.31, 40.57, 35.05, 30.90. Of was proposed additional pharmacopoeia Q-marker good testability traceability. not only enhances pharmacological relevance, but also can effectively recognize counterfeiting via analysis.

Язык: Английский

Процитировано

0
Simultaneous Quantification of 66 Compounds in Two Tibetan Codonopsis Species Reveals Four Chemical Features by Database-Enabled UHPLC-Q-Orbitrap-MS/MS Analysis DOI Creative Commons
Zhihong Xu,

Rongxin Cai,

Hanxiao Chai

и другие.

Molecules, Год журнала: 2024, Номер 29(21), С. 5203 - 5203

Опубликована: Ноя. 3, 2024

Codonopsis canescens Nannf. (CoC) and nervosa (CoN) are two traditional Tibetan medicinal herbs (Zangdangshen), which have been widely used in the treatment of various diseases. In this study, their aerial underground parts were systematically analyzed using database-enabled UHPLC-Q-Orbitrap-MS/MS technology. This technology introduced three adduct ions, [M − H]−, + H]+, NH4]+, to putatively identify a total 66 compounds. During putative identification, at least 16 isomers successfully differentiated, such as isochlorogenic acid A vs. B C. Thereafter, all these identified compounds further quantified for contents based on linear regression method. Their observed vary from 0.00 39,127.03 µg/g. Through multiple comparisons quantification results, study found following four chemical features: (1) Four sesquiterpenes (especially atractylenolide III) enriched mainly CoC rarely CoN; (2) quinic derivatives abundant part species; (3) sixteen flavonoids (particularly diosmetin chrysoeriol) showed higher content than (4) lobetyolin was ubiquitously distributed both CoN. Based features relevant principles, (lobetyolin, III, diosmetin, recommended quality markers species. All findings can facilitate sustainable development control herbs.

Язык: Английский

Процитировано

0
Unraveling the bioactive constituents of Typha elephantina: A comprehensive phytochemical analysis by tandem mass spectrometry DOI Creative Commons

B. Rohida,

Muhammad Farman,

A. O. George

и другие.

PLoS ONE, Год журнала: 2024, Номер 19(12), С. e0311549 - e0311549

Опубликована: Дек. 5, 2024

Phytochemicals derived from plants have gained significant attention in recent years due to their diverse therapeutic properties. Typha elephantina is an aquatic plant having ameliorative characteristics like antioxidant, anti-inflammatory and analgesic etc. This research aims conduct a comprehensive phytochemical investigation by Tandem mass spectrometry on the aerial parts roots of with focus identifying characterizing bioactive compounds present it. Maceration methanol, preliminary, MS/MS analyses DPPH antioxidant assay were carried out this plant. study led elucidation 62 chemical constituents for first time . 36 26 i e ., p -coumaric acid, caffeic dihydrocaffeic ferulic acid derivative, dehydroascorbic 1- O -coumaroyl glycerol, glucaroyl-4-hydroxy benzoate, apigenin 3- -glucopyranosyl isorhamnetin, isovitexin rutin, isorhamnetin diglycosides, verbascoside, forsythoside A, pinocembrin, dihydro quercetin, prunetin, ampelopsin, daidzein, genistein, catechin procyanidin B1 detected within specimen. The results showed that TE(1), TE(2) more activity than TER/MeOH. These might be responsible understanding potential provide foundation future pharmacological studies.

Язык: Английский

Процитировано

0
Recent Advances in Analysis of Food and Beverages DOI Creative Commons
Javier Saurina

Separations, Год журнала: 2023, Номер 10(3), С. 163 - 163

Опубликована: Фев. 27, 2023

In this section, we summarize the characteristics of published papers according to different typologies [...]

Язык: Английский

Процитировано

0
Library-based UHPLC-Q-Exactive-Orbitrap-MS Putative Identification of Isomeric and Non-isomeric Compounds from Shenling Baizhu Granule and its Pharmacopoeia Quality-marker Chemistry DOI Creative Commons
Xican Li,

Jingyuan Zeng,

Rongxin Cai

и другие.

Authorea (Authorea), Год журнала: 2023, Номер unknown

Опубликована: Май 22, 2023

Shenling Baizhu Granule, a traditional Chinese medicine prescription comprising Renshen, Gancao, and Shanyao, has been widely consumed in China nowadays. However, its pharmacopoeia quality-marker (Q-marker) not defined The study thus used novel strategy, i.e., library-based ultra-high-performance liquid chromatography-quadrupole-orbitrap mass spectrometry, to analyze lyophilized aqueous powder. strategy simultaneously putatively 77 compounds; Especially, 32 isomeric compounds have strictly distinguished, including ferulic acid isoferulic acid; liquiritigenin isoliquiritigenin; 3,4-dicaffeoylquinic 4,5-dicaffeoylquinic schaftoside isoschaftoside; ginsenoside Re Rd; Rc Rb2; daidzein 7,4’-dihydroxyflavone; luteolin kaempferol; butin S- naringenin; calycosin prunetin; isovitexin cosmosiin; orientin quercitrin; costunolide alantolactone; 2’-hydroxydaidzein, genistein, apigenin; Rg2, 20R -ginsenoside Rg3, 20S Rg3. In addition, 45 non-isomeric also identified. Combining with the quantum chemistry calculation UV-vis spectra scanning results, 4 are recommended as Q-marker candidates, glycyrrhizic acid, Re, Rb1, diosgenin. four can be qualitatively assess materials of prevent possible adulterant.

Язык: Английский

Процитировано

0