Characteristic profiling of Aconiti Lateralis Radix for distinguishing it from compatible herbal pair using UPLC–Q‐TOF–MS coupled with chemometrics

Abstract

A method combining ultra‐high‐performance liquid chromatograph/quadrupole time‐of‐flight mass spectrometry (UPLC–Q‐TOF–MS) and chemometrics was established to evaluate the differences in chemical composition between Aconiti Lateralis Radix (Fuzi in Chinese) before and after combination with Glycyrrhizae Radix et Rhizoma (Gancao in Chinese). UPLC–Q‐TOF–MS was used to characterize the chemical components before and after the combination of Fuzi with Gancao, and genetic algorithm selection variables were applied to extract important variables. Partial least square discriminant analysis was used to verify the reliability of the variables obtained by genetic algorithm selection in differentiating Fuzi and combinations with Gancao, and nine potential chemical markers were obtained. The changes in content of chemical markers in Fuzi before and after combination were visualized using a heat map and hierarchical cluster analysis. Based on the chemical markers, characteristic profiling of UPLC–Q‐TOF–MS data was developed, then unsupervised principal components analysis and a supervised counter‐propagation artificial neural network were used to validate the characteristic profiling approach and showed that it performed well in differentiating between Fuzi and combinations with Gancao.

Metabolic Behaviors of Aconitum Alkaloids in Different Concentrations of Aconiti Lateralis Radix Praeparata and Effects of Aconitine in Healthy Human and Long QT Syndrome Cardiomyocytes

“…The calibration curves of each component range from 0.1 to 10 ng/mL. The method has reliable performance on the selectivity, linearity, accuracy, precision, stability, extraction recovery, and matrix effects [27], which conform to the guidelines of the National Medical Products Administration for bioanalytical assay validation. Therefore, the method could be applied to pharmacokinetic study.…”

Exploring Potential Targets and Pathways of Toxicity Attenuation Through Serum Pharmacochemistry and Network Pharmacology in the Processing of Aconiti Lateralis Radix Praeparata

“…Therefore, the study of serum pharmacokinetics is also fundamental in the field of drug analysis research (Guo et al, 2018; Jin et al, 2022; Qi et al, 2019; Zhang et al, 2018). Alkaloids are the main components of FZ, and although numerous studies have been conducted on their molecular activity both domestically and internationally (Jiang et al, 2021; Qiang et al, 2018; Shi et al, 2023; You et al, 2022), further studies are still needed on the components of FZ that are absorbed into the bloodstream, their metabolism and transportation in the body, and their contribution to cardiac toxicity. The overall pharmacological or toxic effects of these components on the human body are consistent with the theoretical framework of network pharmacology, which is based on both holistic and systematic approaches (Wu et al, 2022).…”

Identification and quality evaluation of different processed products of Aconitum carmichaelii by ultra‐high‐performance liquid chromatography‐quadrupole time‐of‐flight tandem mass spectrometry and ultra‐high‐performance liquid chromatography‐tandem mass spectrometry

“…DDAs include hypaconitine (HA), mesaconitine (MA), and aconitine (AC). MDAs include benzoylhypaconine (BHA), benzoylmesaconine (BMA), and benzoylaconine [15,16]. The efficacy of MDAs is similar to that of DDAs; however, the toxicity of MDAs is much lower than that of DDAs [17,18].…”