Investigation of the chemical markers for experiential quality evaluation of crude aconite by UHPLC-Q-TOF-MS

To explore rapidly the potential chemical markers for differentiating Radix Paeoniae Alba and Radix Paeoniae Rubra, a method is proposed based on ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS) coupled with multivariate statistical analysis. Batches of commercial samples were analyzed by UPLC-Q-TOF/MS. The datasets of tR-m/z pair, ion intensities and sample codes were further processed with orthogonal partial least squared discriminant analysis (OPLS-DA) to compare holistically the difference between these two kinds of samples. Then statistics were used to generate an S-plot, in which the variables (tR-m/z pair) contributing most to the difference were clearly depicted as points at the two ends of “S”, and the components correlated to these ions should be regarded as the chemical markers. The identities of the most changed markers can be identified by comparing the mass/UV spectra and retention times with those of reference compounds and/or tentatively assigned by matching empirical molecular formulae with those of known compounds published in the literature. Using this proposed approach, albflorin, paeoniflorin, oxypaeoniflorin, benzoylpaeoniflorin, galloylalbiflorin and paeoniflorigenone were found to be the differentiating components for discrimination of Radix Paeoniae Alba and Radix Paeoniae Rubra. Moreover, paeoniflorin sulfonate and its isomer, isomaltopaeoniflorin sulfonate, were found to be the characteristic markers for all Radix Paeoniae Alba samples that were processed by sulfurdioxide gas fumigation. The results suggested that this newly established approach could be used to explore rapidly the potential chemical markers for herbs with similar chemical characteristics.

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Metabolic profile analysis of Zhi-zi-chi decoction in feces of normal and chronic unpredictable mild stress-induced depression rats based on UHPLC-ESI-Q-TOF-MS/MS and multiple analytical strategies

RSC Advances ◽

10.1039/c9ra06486a ◽

2019 ◽

Vol 9 (68) ◽

pp. 40037-40050

Author(s):

Kaiwen Luo ◽

Yadong Xing

Keyword(s):

Metabolic Profile ◽

Profile Analysis ◽

Antidepressant Effect ◽

Mild Stress ◽

Chronic Unpredictable Mild Stress ◽

Chemical Markers ◽

Analytical Strategies ◽

Tof Ms

A total of 56 compounds from ZZCD were identified in feces of normal and depression rats. Then ten compounds were sieved as potential chemical markers that would reflect the antidepressant effect of ZZCD.

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Microscopic Characteristic and Chemical Composition Analysis of Three Medicinal Plants and Surface Frosts

Molecules ◽

10.3390/molecules24244548 ◽

2019 ◽

Vol 24 (24) ◽

pp. 4548 ◽

Cited By ~ 1

Author(s):

Da Qing Yu ◽

Xiao Jing Han ◽

Ting Yu Shan ◽

Rui Xu ◽

Jin Hu ◽

...

Keyword(s):

Mass Spectrometry ◽

Medicinal Plants ◽

Quality Evaluation ◽

Chemical Constituents ◽

Gas Chromatography Mass Spectrometry ◽

Composition Analysis ◽

Chemical Composition Analysis ◽

Main Components ◽

Main Component ◽

Tof Ms

The accumulation of chemical constituents of some medicinal plants, such as Paeonia ostii T. Hong et J. X. Zhang, Houpoëa officinalis (Rehder and E. H. Wilson) N. H. Xia and C. Y. Wu. and Atractylodes lancea (Thunb.) DC, can precipitate on the surface and form frosts after natural or artificial intervention. The characteristics of these three medicinal plants and their frosts were analyzed by light microscope, polarizing microscope, stereomicroscope, and metalloscope. The results of ordinary Raman of P. ostii and H. officinalis showed that the frosts of P. ostii matched paeonol, while that of H. officinalis matched magnolol and honokiol. In P. ostii and its frost, 19 peaks were identified by UPLC-Q/TOF-MS, and the main component was paeonol. Eleven components were identified in H. officinalis and its frosts, and the main components were magnolol and honokiol. A. lancea and its frosts were analyzed by gas chromatography-mass spectrometry (GC-MS), 21 were identified, and its main components were hinesol and β-eudesmol. These three medicinal plants accumulate compounds and precipitate frosts on the surface. The results show that the components of the frosts provide a basis for quality evaluation and research on similar medicinal plants, and reveals the scientific connotation of “taking the medicinal materials’ precipitated frosts as the best” of P. ostii, H. officinalis, and A. lancea, to some extent.

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