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

Jinhua Qinggan Granule UHPLC-Q-extractive-Orbitrap-MS assay: Putative identification of 45 potential anti-Covid-19 constituents, confidential addition, and pharmacopoeia quality-markers recommendation DOI Creative Commons

Jingyuan Zeng,

Xican Li,

Rongxin Cai

и другие.

Journal of Food and Drug Analysis, Год журнала: 2023, Номер 31(3), С. 534 - 551

Опубликована: Авг. 31, 2023

The study combined UHPLC-Q-Orbitrap-MS analysis with authentic standards, to create a novel strategy for isomers recognition and putative identification. Through the strategy, anti-Covid-19 Jinhua Qinggan Granule was found comprise 28 45 potential constituents. detection of three constituents (Danshensu, cryptotanshin, tanshinone IIA) suggests Danshen as confidential additive. Based on this, 6 are recommended quality-marker candidates, including chlorogenic acid, acteoside, peimisine, baicalein, licoricesaponin H2, IIA. Obviously, can not only help public really understand Granule's formula chemistry, but also facilitate its Pharmacopoeia collection in future.

Язык: Английский

Процитировано

7

Proposing anti‐counterfeiting pharmacopoeia quality markers for Shenlingbaizhu granule based on UHPLC‐Q‐orbitrap‐MS identification DOI

Jingyuan Zeng,

Xican Li,

Rongxin Cai

и другие.

Phytochemical Analysis, Год журнала: 2023, Номер 35(2), С. 220 - 238

Опубликована: Сен. 21, 2023

Abstract Introduction Shenlingbaizhu granule, a Traditional Chinese Medicine prescription comprising Renshen, Gancao, and Shanyao, is widely consumed in China nowadays. Objective The study tries to propose pharmacopoeia quality markers (Q‐markers) prevent counterfeiting involving Shanyao. Methodology A novel strategy, that is, library‐based ultra‐high‐performance liquid chromatography–quadrupole‐orbitrap mass spectrometry, was used analyse the lyophilised aqueous powder of granule. Subsequently, quantum chemistry calculation UV‐vis spectra scanning were also performed through theoretical or experimental approaches. Result Thirty‐two isomers have been strictly distinguished, especially positional isomeric isochlorogenic acid B versus C, schaftoside isoschaftoside, ginsenoside Rg2 20S ‐ginsenoside Rg3, stereoisomeric Rg3 20R Rg3. Seventeen compounds unexpectedly observed, particularly scoparone pectolinarigenin, while total 76 bioactive putatively identified study. results revealed glycyrrhizic acid, Re, Rb1, diosgenin displayed different dipole moment values maximum absorption wavelengths from each other. Conclusion recommends as four anti‐counterfeiting Q‐markers for pharmacopoeia. can be detected using conventional HPLC. observation 17 unexpected updates our knowledge regarding bioactives

Язык: Английский

Процитировано

6

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

и другие.

Chromatographia, Год журнала: 2024, Номер 87(9), С. 597 - 608

Опубликована: Июль 4, 2024

Язык: Английский

Процитировано

2

The Extraction, Biosynthesis, Health-Promoting and Therapeutic Properties of Natural Flavanone Eriodictyol DOI Open Access

Haiaolong Yin,

Yaxian Li, Yijun Feng

и другие.

Nutrients, Год журнала: 2024, Номер 16(23), С. 4237 - 4237

Опубликована: Дек. 8, 2024

Eriodictyol is a flavanone compound commonly found in several edible plants. Ultrasound-assisted extraction and high-performance liquid chromatography (HPLC) are used methods for the separation analysis of eriodictyol. Many studies show that some micro-organisms can produce eriodictyol as host. What more, has wide range health benefits, including skincare, neuroprotective, hypoglycemic, anti-inflammatory, antioxidant activities. In addition, therapeutic properties cardioprotective, hepatoprotective, anticancer, with protective effects on lungs kidneys, so on. This review examines extraction, biosynthesis, natural its value medicine food.

Язык: Английский

Процитировано

2

Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality‐Assessment Strategy Using TCM‐Specific Library with UHPLC‐Q‐Exactive‐Orbitrap‐MS DOI Creative Commons
Xican Li,

Jingyuan Zeng,

Rongxin Cai

и другие.

ChemistryOpen, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 21, 2024

Abstract Jieyu Anshen Granule is a traditional Chinese medicine prescription used for depression and primarily comprises five herbal medicines: Zhizi, Chaihu, Zhigancao, Danggui, Yuanzhi. This study established medicine‐specific library using emerging ultra‐high‐performance liquid chromatography‐quadrupole‐orbitrap‐tandem mass spectrometry analysis. Through comparison, the has fulfilled isomers distinction. As result, 47 compounds were simultaneously putatively identified from Granule, including 12 unexpected 35 expected compounds. The comprised cyclocommunol, 5‐hydroxyflavone, tangeretin, 3,5,6,7,8,3’,4’‐heptemethoxyflavone, calycosin‐7‐ O ‐β‐D‐glucoside, 7,4’‐dihydroxyflavone, naringenin‐7 ‐O‐ β‐D‐glucoside, matrine, betaine, jervine, alantolactone, hypericin. Among compounds, saikosaponin A, D, glycyrrhizic acid, geniposide, ligustilide, polygalaxanthone III further investigated quantum chemistry approach. Based on these, an effective quality assessment strategy proposed Pharmacopeia, involving simultaneous analysis of III, saikosaponins A D through enables detection adulteration in relation to Yuanzhi Granule. findings will deepen understanding

Язык: Английский

Процитировано

1

Development of Effervescent Tablets Containing Elderberry Vine Tea Compound and Evaluation of Their Antioxidant Activity DOI Open Access
Wanhao Sun

Journal of Food Processing and Preservation, Год журнала: 2023, Номер 2023, С. 1 - 14

Опубликована: Дек. 7, 2023

Elderberry and vine tea, renowned for their wealth of bioactive constituents potent antioxidant prowess, hold remarkable promise within a wide array culinary contexts. This study presents pioneering advancement in the realm compound effervescent tablet formulation. Employing response surface design optimization, this work develops formulation comprising total disintegrant (acid-to-base ratio 1.3 : 1) at 50%, elderberry extracts 31.7%, ultra-micro tea powder 8.3%, stevioside 3.4%, PEG-6000 2.7%, mannitol 2.9%, PVP 1%. Under these carefully optimized conditions, resultant exhibits attributes including an average disintegration time 184.50 ± 4.65 s , foaming quantity id="M2"> 30.64 2.10 mg / g hardness measuring id="M3"> 54.59 3.41 N with weight uniformity well ±5%. Regarding efficacy, flavonoid content attains id="M4"> 76.79 3.76 RE/g, phenolic reaches id="M5"> 94.84 4.95 GAE . Moreover, id="M6"> E C 50 values scavenging 1,1-diphenyl-2-picrohydrazine (DPPH), hydroxyl (OH), 2, 2 id="M7"> -azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)(ABTS) radicals are determined 0.4667 mg/mL, 0.9772 0.5014 respectively. investigation underscores performance satisfying stringent physicochemical standards, while also showcasing outstanding potency, paving way antioxidant-functional foods sustainable exploitation natural resources.

Язык: Английский

Процитировано

2

Extraction of flavonoid dyes from vine tea (Ampelopsis grossedentata) waste and application in bleached pulp dyeing DOI
Tingting Liu,

Jian Xiao,

Wenjie Wang

и другие.

Coloration Technology, Год журнала: 2024, Номер unknown

Опубликована: Окт. 2, 2024

Abstract Natural dyes are receiving more attention due to wide and renewable resources their functionalities. This study delved into the optimal conditions for extracting Ampelopsis grossedentata flavonoid (AGFDs) from vine tea waste, resulting in a dye sample with total extraction percentage of 27.4 %. Ultraviolet (UV), Fourier‐transform infrared (FTIR) liquid chromatography–mass spectrometry (LC–MS) analysis revealed presence 18 flavonoids AGFD. Additionally, various factors, including pH, light exposure, temperature, metal ions, redox agents were found impact stability Moreover, dyeing performance AGFD bleached chemical pulp was investigated. Under conditions, AGFD‐dyed displayed vibrant yellow hue excellent colour fastness when using aluminum potassium sulphate dodecahydrate (KAl(SO 4 ) 2 ·12H O) as mordant uptake level up 88 FTIR scanning electron microscopy (SEM) demonstrated that chemically bound fibre. Remarkably, hand sheet made exhibited thermal stability, physical strength properties antibacterial activity against Escherichia coli Staphylococcus aureus . Furthermore, peroxide value cheese packaged only 43 % undyed one, indicating its good antioxidant properties. highlights promising potential production functional coloured paper.

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

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

и другие.

Research Square (Research Square), Год журнала: 2023, Номер unknown

Опубликована: Июль 25, 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

Язык: Английский

Процитировано

1

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