LAMAIS: A library-aided approach for efficient 1D H NMR qualitative analysis in plant metabolomics.

Background: One-dimensional proton nuclear magnetic resonance (1D H NMR) spectroscopy is a non-destructive, non-targeted analytical technique providing both qualitative and quantitative insights, particularly beneficial for mixture analysis. However, the qualitative analysis of 1D H NMR spectra for mixture samples is laborious and time-consuming, involving extensive database searches and verification experiments like spiking. This process heavily relies on the analyst's expertise, leading to efficiency discrepancies.

Discussion on several statistical problems in establishing quality standards of standard decoctions.

Since 2016, a number of studies have been published on standard decoctions used in Chinese medicine. However, there is little research on statistical issues related to establishing the quality standards for standard decoctions. In view of the currently established quality standard methods for standard decoctions, an improvement scheme is proposed from a statistical perspective.

[Shenmai injection protects mitochondria from oxidative injury in myocardial cells and its mechanism].

Objective: To investigate the effect of Shenmai injection on myocardial cells with oxidative injury and the underlying mechanisms.

Methods: Tert-butyl hydroperoxide (t-BHP) was used to induce the oxidative stress in H9c2 myocardial cells. The cell viability and ATP level were evaluated using MTT-colorimetric method and CellTiter-Glo luminescent cell viability assay.

Identification and determination of major constituents in a traditional Chinese medicine compound recipe Xiongdankaiming tablet using HPLC-PDA/ESI-MS(n) and HPLC-UV/ELSD.

Xiongdankaiming tablet (XDKMT), a well-known compound in traditional Chinese medicine, is widely used for the treatment of acute iridocyclitis and primary open-angle glaucoma. In this paper, accurate and reliable methods were developed for the identification of 20 constituents using high-performance liquid chromatography with photo-diode array and electron spray ionization-mass spectrometry (HPLC-PDA/ESI-MS(n)), and determination of nine of the constituents (chlorogenic acid, gentiopicroside, isochlorogenic acid B, diosmetin-7-O-β-d-glucopyranoside, apigenin, diosmetin, tauroursodeoxycholic acid, acacetin, and taurochenodeoxycholic acid) was developed using HPLC with ultraviolet absorption detector and evaporative light scattering detector (HPLC-UV/ELSD) for the first time. The best results were obtained on a Zorbax SB-C18 column with gradient elution using water (0.

[A new method for simultaneous assay of six organic acids in Lonicerae Japonicae Flos].

Objective: To establish a method of quantitative analysis of multi-components by single marker(QAMS) for quality control of Lonicerae Japonicae Flos.

Methods: The contents of chlorogenic acid(CA) and caffeic acid(CfA) were determined, and the relative correction factors(RCF) of other organic acids were calculated, which were used for the indirect determination.

Results: The RCFs for the neochlorogenic acid(NCA), 3, 4-O-dicaffeoylquinic acid(3, 4-DCA), 3, 5-O-dicaffeoylquinic acid(3, 5-DCA), and 4, 5-O-dicaffeoylquinic acid(4, 5-DCA) were 5.

[Pharmacokinetics interaction among three major active compounds of Shengmai formula in rats].

Objective: To investigate the pharmacokinetic interaction among three major bioactive compounds of Shengmai formula.

Methods: After oral administration of ginsenoside Rg(1), ginsenoside Rb(1) and schisandrin with the same dose(100 mg.kg(-1)) individually or in combination, rat serum samples were extracted, then these three compounds were determined by liquid chromatography-mass spectrometry(LC-MS).

A new steroidal glycoside from the Ophiopogon japonicus Ker-Gawler (Liliaceae).

A new steroidal glycoside (1), (25R)-14α, 17α-hydroxyspirost-5-en-3β-yl 3-O-α-L-rhamnpyranosyl-(1 → 2)-β-D-glucopyranosyl-(1 → 3)-β-D-glucopyranoside, together with three known steroidal glycosides, (25R)-3β-hydroxyspirost-5-en-1β-yl-3-O-α-L-rhamnopyranosyl-(1 → 2)-O-β-D-xylopyranosyl-(1 → 3)-α-L-arabinopyranoside (2), Cixi-ophiopogon B (3) and Cixi-ophiopogon A (4), were obtained from the tuberous roots of Ophiopogon japonicus (Liliaceae). Compound 2 was isolated from the Ophiopogon genus for the first time. Their structures were identified on the basis of extensive mass and nuclear magnetic resonance spectroscopic analysis.

Structure characterization and identification steroidal saponins from Ophiopogon japonicus Ker-Gawler (Liliaceae) by high-performance liquid chromatography with ion trap mass spectrometry.

Introduction: Steroidal saponins are the main active constituents in Ophiopogon japonicus Ker-Gawler (Liliaceae). However, because of their high polarity, non-chromophores and low content in plants, steroidal saponins are difficult to be isolated from O. japonicus by conventional phytochemical methods.

A secoiridoid with quinone reductase inducing activity from Cortex fraxini.

A new secoiridoid named chinensisol (1) along with twenty known compounds were isolated from the 95% ethanol extract of Cortex fraxini. Their structures were elucidated on the basis of NMR, MS, IR and UV spectral evidences. The quinone reductase (QR) inducing activities of the compounds were evaluated and the results showed that compounds 1, 9 and 14 had moderate QR inducing activities with CD values (concentration required to double the specific activity of QR) of 72.

Bioactive sesquiterpenes isolated from the essential oil of Dalbergia odorifera T. Chen.

Investigation of the essential oil from the heartwood of Dalbergia odorifera T. Chen afforded the sesquiterpenes 1 and 2, that both showed anti-platelet activity. Their backbones were totally the same only with subtle difference in the chiral centre.

Characterization of tanshinones with quinone reductase induction activity from Radix Salvia miltiorrhiza by liquid chromatography/tandem mass spectrometry.

Quinone reductase (QR) induction is a reliable biomarker of phase II enzyme induction. In this study, glutathione (GSH) was employed and a liquid chromatography/tandem mass spectrometry (LC/MS/MS) method was introduced to reveal the chemical constituents with QR activity from the ethyl acetate extract of roots Salvia miltiorrhiza ('Danshen') and nine tanshinones (9, 13, 17-19, 21, 24-26), which could conjugate with GSH, were characterized by LC/MS/MS and considered to have QR activities. Then, thirteen tanshinones, including six compounds (17, 18, 21, 24-26) of the above nine tanshinones, were isolated to conduct QR induction evaluation, and it was found that miltirone and its derivatives (18, 20, 24, 26) exhibited significant activities.

Cytotoxic thiophenes from the root of Echinops grijisii Hance.

A new thiophene, echinothiophenegenol (1), together with seven known thiophenes was isolated from the crude ethanol extract of roots of Echinops grijisii Hance. The structure of 1 was elucidated on the basis of spectroscopic data. Compounds 2 and 5, isolated from the plant for the first time, and compounds 1-7 were tested for their cytotoxicity against two human cancer cell lines, HL60 and K562.

Chemical constituents from the radix of Curcuma wenyujin.

Phytochemical study on the ethanol extract of the radixes of Curcuma wenyujin Y. H. Chen et C.

Characterization of chemopreventive agents from the dichloromethane extract of Eurycorymbus cavaleriei by liquid chromatography-ion trap mass spectrometry.

In the present study, we examined the potential chemopreventive activity of dichloromethane extract of Eurycorymbus cavaleriei by investigating the change of constitutions after incubation with glutathione (GSH). The major constitutions in the dichloromethane extract of E. cavaleriei were cumarin compounds and their cleavage pattern was examined by LC-MS-MS and the characteristic product ions at m/z 206 and 207 were helpful to determine the substitutions of coumarinolignoid compounds.

Three lignans and one coumarinolignoid with quinone reductase activity from Eurycorymbus cavaleriei.

Four compounds, including one new lignan cavaol H (1), one new coumarinolignoid 5'-hydroxycleomiscosin B (4) and two known lignans (2-3) were isolated from the 95% ethanol extract of the twigs of Eurycorymbus cavaleriei. Their structures were established on the basis of various spectroscopic analyses including 1D-(1H, 13C, and DEPT) and 2D-NMR (COSY, HMQC, and HMBC). The absolute stereochemistry of the two known lignans was firstly reported in this article by 1H NMR studies on Mosher's ester derivatives.

New cycloartane glycosides from Camptosorus sibiricus Rupr.

Three new cycloartane glycosides were isolated from the whole herbs of Camptosorus sibiricus Rupr. By means of chemical and spectroscopic methods (IR, 1D, and 2D NMR, HR-MS, ESI-MS), the structures were established as (24R)-3beta,7beta,24,25, 30-pentahydroxycycloartane-3-O-beta-D-glucopyranosyl-(1-->4)-[alpha-L-arabinopyranosyl-(1-->2)-beta-D-glucopyranosyl]-24-O-beta-D-glucopyranoside (1), (24R)-3beta,7beta,24,25,30-pentahydroxycycloartane-3-O-beta-D-glucopyranosyl-(1-->4)-[beta-D-galactopyranosyl-(1-->2)-beta-D-glucopyranosyl]-24-O-beta-D-glucopyranoside (2), (24R)-3beta,7beta,24,25,30-pentahydroxycycloartane-30-O-coumaroyl-3-O-beta-D-glucopyranosyl-24-O-beta-D-glucopyranosyl-(1-->2)-beta-D-glucopyranoside (3). At the same time, the new compounds were tested for their cytotoxicities in vitro against human tumor cell lines (A375-S2, Hela) using MTT method.

Two novel thiophenes from Echinops grijissi Hance.

Two novel thiophenes, grijisyne A (1), and grijisone A (2), were isolated from the crude ethanolic extract of the roots of Echinops grijissi Hance. Their structures were determined by spectral methods, especially 2D NMR spectra. All the isolated compounds were tested for their anti-tumor activities against three human tumor cell lines, HL-60, K562, and MCF-7.

Silver complexation and tandem mass spectrometry for differentiation of triterpenoid saponins from the roots of Pulsatilla chinensis (Bunge) Regel.

For detection and differentiation of two types of triterpenoid saponins based on different aglycons of the lupane and oleanane skeleton from the roots of Pulsatilla chinensis (Bunge) Regel, the silver ion was introduced and electrospray ionization multi-stage tandem mass spectrometry was applied to analyze eleven triterpenoid saponin silver complexes. The quasi-molecular ion [M+Ag](+) was observed in the full-scan MS spectra of all the silver complexes. The MS(2) data of the [M+Ag](+) ion provided structural information on the sugar sequence of the oligosaccharide chains and the aglycon of the saponins.

Cytotoxic properties of thiophenes from Echinops grijissi Hance.

The dichloromethane fraction of the crude ethanol extract of Echinops grijissi Hance roots exhibited different cytotoxicity against a panel of four human tumor cell lines, HepG2, K562, HL60 and MCF-7. By a bioassay-guided fractionation, eight thiophenes were isolated from the dichloromethane fraction, one of them was isolated from the plant for the first time. And they were assayed for their toxicity against the cell lines in order to compare their relative anti-tumor activity and find candidates of potential anti-tumor drugs.