Putative Identification of 12 Isomeric and 21 Non-isomeric Compounds from Leaves of Rubus Alceifolius Poir Using Database-affinity UHPLC-Q-Exactive-Qrbitrap-MS/MS DOI Creative Commons
Xican Li,

Jingyuan Zeng,

Rongxin Ca

et al.

Research Square (Research Square), Journal Year: 2023, Volume and Issue: unknown

Published: Nov. 14, 2023

Abstract This is the first article to report of chemical profile leaves Rubus alceifolius Poir, a widely distributed medicinal plant in Eastern Hemisphere. Fresh R. were treated by set experimental protocols prepare lyophilized aqueous extract. A novel strategy was used analyze extract, i.e., The extract then analyzed using new strategy, database-affinity ultra-high-performance liquid chromatography-quadrupole-Exactive-Orbitrap-tandem mass spectrometry (UHPLC-Q-Exactive-Orbitrap-MS/MS). Using MS/MS at full elucidation and comparison with database, 33 compounds putatively identified, including 12 flavonoid derivatives, 6 phenolic acid caffeoylquinic acids, two tea polyphenols, others. Especially, isomers have been strictly distinguished, apigenin vs 2'-hydroxydaidzein, luteolin 7-O-glucuronide scutellarin, (+) catechin (-) epicatechin, 3 -O- 4 5 acid, 3,4 dicaffeoylquinic 3,5 4,5- O -dicaffeoylquinic acid. In addition, 21 non-isomeric also found under both negative positive ion models, such as ellagic gallic Structural suggested that there biogenetic relationships among glycosidation hydroxylation. All these findings will help understand substance basis traditional functions Alceifolius . structural between These allow scientific community better functions.

Language: Английский

High-Resolution LC-MS Simultaneous Quantification of Forty-Six Compounds from Jatropha podagrica Fruit Recommends Four Top Antioxidant Contributors as Q-Markers DOI Creative Commons

Rongxin Cai,

Xican Li, Hongxia Liang

et al.

Molecules, Journal Year: 2025, Volume and Issue: 30(3), P. 722 - 722

Published: Feb. 5, 2025

There has been no chemical analysis of the fruit medicinal plant Jatropha podagrica until now. The current study aimed to qualitatively and quantitatively analyze J. using a high-resolution LC-MS strategy, i.e., library-comparison ultra-high-performance liquid chromatography-Quadrupole-Orbitrap-tandem mass spectrometry. strategy putatively identified 46 compounds from fresh fruit. During putative identification, 10 isomers (e.g., (vitexin vs. isovitexin) were completely distinguished each other. Thereafter, all simultaneously quantified authentic standard comparison method. Finally, they also subjected 2,2′-azino bis (3-ethylbenzothiazolin-6-sulfonic acid radical (ABTS+•)-scavenging assay characterize their relative antioxidant capacities. Their capacities thus multiplied by contents calculate contribution values, respectively. Corilagin, gallic acid, ellagic phillygenin exhibited highest percentages thereby suggested as four top contributors. are recommended build up quality-markers (Q-markers) system fruits. All these findings can help develop fruits potential resource natural medicine.

Language: Английский

Citations

1

New UHPLC-Q-Orbitrap MS/MS-based Library-comparison method simultaneously distinguishes 22 phytophenol isomers from Desmodium styracifolium DOI
Xican Li,

Jingyuan Zeng,

Rongxin Cai

et al.

Microchemical Journal, Journal Year: 2023, Volume and Issue: 191, P. 108938 - 108938

Published: June 3, 2023

Language: Английский

Citations

13

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

et al.

Microchemical Journal, Journal Year: 2024, Volume and Issue: 204, P. 111124 - 111124

Published: Sept. 1, 2024

Language: Английский

Citations

5

Database-aided UHPLC-Q-orbitrap MS/MS strategy putatively identifies 52 compounds from Wushicha Granule to propose anti-counterfeiting quality-markers for pharmacopoeia DOI Creative Commons
Xican Li,

Shaoman Chen,

Jingyuan Zeng

et al.

Chinese Medicine, Journal Year: 2023, Volume and Issue: 18(1)

Published: Sept. 9, 2023

Abstract Wushicha Granule, an over-the-counter-drug (OTC) prescription, consists of 19 traditional Chinese herbals medicines (CHMs), such as Chaihu, Hongcha, Chuanxiong, Houpo, and Gancao. The five however have not been effectively characterized by the quality-markers (Q-markers) system in current Pharmacopoeia. study therefore established a novel database-aided ultra-high performance liquid chromatography-quadrupole-orbitrap mass spectrometry (UHPLC-Q-orbitrap MS/MS) strategy. strategy has putatively identified 52 compounds from mainly including flavonoids, saponins, alkaloid, lignins, lactones. Especially, saponin “glycyrrhetinic acid” Granule was specifically 18β-configuration (rather than 18α-configuration). Meanwhile, two pairs isomers were fully discriminated, vitexin vs isovitexin daidzein 7,4'-dihydroxyflavone. 8β-Glycyrrhetinic acid, together with saikosaponin A, alkaloid caffeine, lactone S -senkyunolide lignin magnolol, further studied using quantum chemical calculation, UV–vis spectra, anti -counterfeiting validation experiment. In experiment, they successfully recognized 6 counterfeit Granules, means LC–MS equipped extraction software. Based on these results, 8β-glycyrrhetinic acid is recommended to replace old Q-marker acid”; while S- senkyunolide magnolol are new Q-markers. These recommendations can only recognize counterfeits regarding Gancao, but also prevent possible safety-incident. All will greatly improve efficiency specificity

Language: Английский

Citations

12

Library-based UHPLC-Q-exactive-orbitrap-MS putative identification of isomeric and non-isomeric bioactives from Zibushengfa Tablet and pharmacopeia quality-marker chemistry DOI

Shaoman Chen,

Xican Li,

Jingyuan Zeng

et al.

Journal of Liquid Chromatography &amp Related Technologies, Journal Year: 2023, Volume and Issue: 46(6-10), P. 153 - 167

Published: June 21, 2023

Zibushengfa Tablet is a widely consumed traditional Chinese medicine (TCM) prescription. However, its main bioactives remain unclear and pharmacopeia quality-marker (Q-marker) poorly characterized nowadays. The present study analyzed lyophilized aqueous powder using ultra-high-performance liquid chromatography-quadrupole-orbitrap mass spectrometry. Through comparison with authentic standards in the library, 46 were putatively identified, including quinic acid, D-gluconic gallic protocatechuic 5-caffeoylquinic L-tryptophan, salidroside, (+)-catechin hydrate, caffeic cryptochlorogenic mangiferin, ferulic myricetin-3-O-galactoside, 2,3,5,4'-tetrahydroxystilbene-2-O-glucoside, forsythoside B, myricitrin, rutin, hyperoside, acteoside, 3,4-dicaffeoylquinic myricetin, senkyunolide A, isochlorogenic acid C, quercitrin, (+)-epipinoresinol, quercetin, biochanin calycosin, luteolin, wedelolactone, calycosin-7-O-glucoside, chrysoeriol, trans-cinnamic formononetin, chrysin, 3,3',4',5,6,7,8-heptamethoxyflavone, Z-ligustilide, amentoflavone, tangeretin, hinokiflavone, emodin, physcion, linoleic stearic palmitic ethyl ester. Of these, four pairs of isomers successfully differentiated newly established library-filtering strategy. On this basis, wedelolactone are preliminarily suggested as additional quality-markers for consideration by Pharmacopeia Committee, to prevent possible adulterate.

Language: Английский

Citations

11

Evaluation of changes in chemical composition and antioxidant activities from vine tea at different harvest times based on LC-MS, GC–MS, and data fusion algorithms DOI Creative Commons
Lele Zhang, Zixin Zhang, Yu Hou

et al.

Food Chemistry X, Journal Year: 2025, Volume and Issue: unknown, P. 102363 - 102363

Published: March 1, 2025

This study systematically analyzed the chemical composition of vine tea using LC-MS and GC-MS to determine its optimal harvest time key antioxidant compounds. By employing mass defect filtering (MDF) a data fusion algorithm, examined compositional changes across different harvesting periods. The results identified 62 57 compounds through LC-MS, respectively. In vitro assays revealed that harvested in July exhibited strongest activity. Correlation analysis further five compounds: myricetin, dihydromyricetin, quercetin, kaempferol, quercitrin. research not only clarifies primary substances responsible for tea's properties but also provides scientific guidance optimizing timing. Furthermore, integrated analytical approach adopted this offers novel strategy exploring bioactivity other traditional Chinese herbal medicines, paving way advancements field.

Language: Английский

Citations

0

Ultra‐high‐performance liquid chromatography‐Quadrupole‐Exactive‐Orbitrap‐tandem mass spectrometry‐based putative identification for Eucommiae Folium (Duzhongye) and its quality‐marker candidate for pharmacopeia DOI
Shuqin Liu, Xican Li,

Rongxin Cai

et al.

Journal of Separation Science, Journal Year: 2023, Volume and Issue: 46(13)

Published: April 27, 2023

Eucommiae Folium (Duzhongye) is a traditional Chinese medicine with long history of use in China. However, its quality‐marker Pharmacopoeia poorly defined nowadays. The study, therefore, conducted an ultra‐high‐performance liquid chromatography coupled hybrid quadrupole‐orbitrap tandem mass spectrometry analysis to obtain accurate data. obtained data were then compared the authentic standards library using Xcalibur 4.1 software package and TraceFinder General Quan. Through comparison, study has putatively identified 26 bioactive compounds, which include 17 flavonoid derivatives (catechin, quercetin 3‐gentiobioside, 3‐ O ‐β‐D‐glucose‐7‐ ‐β‐D‐gentiobioside, taxifolin, myricetin ‐galactoside, myricitrin, hyperoside, rutin, isoquercitrin, ‐β‐xylopyranoside, quercitrin, isorhamnetin ‐β‐D‐glucoside, quercetin, kaempferol, S ‐eriodictyol, ‐naringenin, phloridzin), four caffeoylquinic acids (neochlorogenic acid, chlorogenic isochlorogenic acid A, C), two alkaloids (vincamine jervine), one lignan (pinoresinol), xanthone (cowaxanthone B), steroid (cholesteryl acetate). Of these, isoquercitrin recommended as new additional pharmacopeia candidate, can not only overcome unreliability old but also recognize possible counterfeit.

Language: Английский

Citations

10

Phytochemical Profiling by UHPLC–Q-TOF/MS and Chemopreventive Effect of Aqueous Extract of Moringa oleifera Leaves and Benzyl Isothiocyanate on Murine Mammary Carcinogenesis DOI Creative Commons
Juan Pedro Rojas-Armas, Miriam Palomino-Pacheco, Jorge Luis Arroyo-Acevedo

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(6), P. 1380 - 1380

Published: March 20, 2024

Moringa oleifera Lam, commonly known as moringa, is a plant widely used both human food and for medicinal purposes around the world. This research aimed to evaluate efficacy of aqueous extract leaves (MoAE) benzyl isothiocyanate (BIT) in rats with induced breast cancer. Cancer was 7,12-dimethylbenz[a]anthracene (DMBA) at dose 60 mg/kg by orogastric gavage once only. Forty-eight were randomly assigned eight groups, each consisting six individuals. The control group (healthy) called Group I. II received DMBA plus saline. In addition DMBA, Groups III, IV, V MoAE 100, 250, 500 mg/kg/day, respectively, while VI, VII, VIII BIT 5, 10, 20 respectively. Treatment carried out 13 weeks. Secondary metabolite analysis results identified predominantly quercetin, caffeoylquinic acid, neochlorogenic vitexin, kaempferol, well tropone, betaine, loliolide, vitexin. administration exhibited notable decrease total tumor count cumulative weight, along delay their onset. Furthermore, they improved histological grade. A significant serum levels VEGF IL-1β observed (p < 0.001) better effect demonstrated mg/kg. conclusion, this study suggests that possess antitumor properties against mammary carcinogenesis, could be due, least part, flavonoids isothiocyanates present extract.

Language: Английский

Citations

3

Detection of Adulterated Naodesheng Tablet (Naodesheng Pian) via In-Depth Chemical Analysis and Subsequent Reconstruction of Its Pharmacopoeia Q-Markers DOI Creative Commons

Chunhou Li,

Xican Li,

Jingyuan Zeng

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(6), P. 1392 - 1392

Published: March 20, 2024

Naodesheng Tablet (Naodesheng Pian), a traditional Chinese medicine formula for stroke treatment, is made up of five herbal medicines, i.e., Sanqi, Gegen, Honghua, Shanzha, and Chuanxiong. However, the current Pharmacopoeia quality-marker (Q-marker) system cannot detect possible adulteration. Our study tried to use new strategy, standards-library-dependent ultra-high-performance liquid chromatography-quadrupole-Orbitrap mass spectrometry (UHPLC-Q-Orbitrap MS/MS) putative identification, reconstruct Q-marker system. Through 30 isomers were successfully differentiated (such as 2′-hydroxygenistein, luteolin, kaempferol; ginsenoside Rg2 Rg3; Rf Rg1). In particular, 11 compounds unexpectedly found in Naodesheng, including 7,4′-dihydroxyflavone, pectolinarigenin, 7-methoxy-4′-hydroxyisoflavone, scoparone, matrine, 3,3′,4′,5,6,7,8-heptamethoxyflavone, 5-hydroxyflavone, diosgenin, chloesteryl acetate, (+)-4-cholesten-3-one. total, 68 putatively identified fully elucidated their MS spectra. Subsequently, relevant further investigated using UV-vis scanning experiments, semi-quantitative analysis, quantum chemical calculation. Finally, adulterated Tablets used validation experiments. The experiment detected ones via lower-version LC-MS analysis. On this basis, three candidates (hydroxy safflor yellow A (HSYA), citric acid, levistilide A), along with puerarin notoginsenoside R1, are re-nominated Q-markers analysis puerarin, HSYA, can clearly adulteration regarding all medicines mentioned above. Therefore, reconstructed described “perfect” quality control will offer valuable recommendation Commission.

Language: Английский

Citations

2

Identification and Semi-quantification of 36 Compounds from Violae herba (Zihuadiding) via UHPLC-Q-Orbitrap-MS/MS as Well as Proposal of Anti-counterfeiting Quality-Marker for Pharmacopeia DOI

Shaoman Chen,

Xican Li,

Chunhou Li

et al.

Chromatographia, Journal Year: 2024, Volume and Issue: 87(9), P. 597 - 608

Published: July 4, 2024

Language: Английский

Citations

2