Intelligence metabolic analysis combined with bioinformatics for investigating effect substance of Naoxintong capsule in treating carotid artery thrombosis.

Naoxintong capsule (NXT) is a typical Chinese patent medicine clinically employed to treat the cardiovascular and cerebrovascular disease. However, there is little research on the effective material basis of NXT for treating the thrombotic diseases. An extremely effectual strategy was advanced by integrating intelligent in vivo analysis, network pharmacology, metabonomics and computer simulation technology.

Green extraction of bioactive flavonoids in Scutellariae Radix using deep eutectic solvents-based ultrasound-assisted matrix solid phase dispersion combined with computer-aided analysis.

An efficient and sustainable deep eutectic solvents-based ultrasound-assisted matrix solid phase dispersion (DES-UAMSPD) method was proposed for extracting the bioactive flavonoids in Scutellariae Radix (SR), with molecular sieve (ZSM-5) as dispersant and betaine-levulinic acid (Bet-Lea (1:2, 50 % water content)) as the effective extractant. The interaction mechanism of DES formation and extraction process was comprehensively elucidated by computer simulation techniques such as electrostatic potential (ESP) distributions, independent gradient model based on hirshfeld partition (IGMH) and frontier molecular orbitals theory. The response surface methodology experiments were conducted to optimize the extraction conditions.

Review of advancement in aggregation-induced emission-based fluorescent biosensors for enzyme detection: Mechanisms and biomedical applications.

Background: Enzymes, primarily proteins produced by living organisms, exhibit high substrate selectivity and catalytic efficiency. Many are crucial for normal biological processes and are closely associated with the onset of various diseases. As such, developing methods for detecting disease-related enzymes is essential.

Intelligent characterization multi-components in Yangxinshi tablet by online comprehensive two-dimensional liquid chromatography-quadrupole time-of-flight mass spectrometry combined with deep learning-assisted mass defect filtering classification and multidimensional data annotation strategy.

A comprehensive characterization strategy for the intelligent analysis of multiple chemical components in Yangxinshi Tablet (YXST) was established. The strategy developed the deep learning-assisted mass defect filtering intelligent classification, preferred ions capture list and active exclusion (DLA-MDF-PIL-AE) data acquisition mode by online comprehensive two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (2DLC-Q-TOF-MS/MS). Firstly, the online 2DLC-Q-TOF-MS/MS system was constructed and the orthogonality was evaluated.

Simultaneous stereoisomeric preconcentration and determination of alkaloids and stereoisomers in Uncariae ramulus cum uncis using field enhanced sample injection and dynamic pH junction sweeping method by cyclodextrin electrokinetic chromatography.

A rapid and sensitive enrichment technique, field enhanced sample injection-dynamic pH junction-sweeping (FESI-DypH-sweeping) was successfully developed for the simultaneous separation and concentration of alkaloids and stereoisomers of Uncariae ramulus cum uncis (UR) by cyclodextrin electrokinetic chromatography (CDEKC) with diode array detection system. The sample was prepared in a low-conductivity (FESI), low-pH (DypH) sample matrix (4 mM phosphate buffer, 3% methanol, pH=3), and the background electrolyte (BGE) consisted of a high-conductivity, high-pH buffer (40 mM phosphate buffer, pH 7.0, 8 mg/mL carboxymethyl-β-cyclodextrin, and 30% methanol).

Screening thrombin inhibitors from Yangxinshi tablets by online capillary electrophoresis-based immobilized enzyme microreactor and molecular docking.

Introduction: Yangxinshi tablet (YXST) is a effective traditional Chinese medicine in treating cardiovascular diseases such as heart failure and myocardial infarction.

Objectives: This study aims to develop a method for screening thrombin inhibitors from YXST using an online immobilized enzyme microreactor (IMER) based on capillary electrophoresis (CE).

Materials And Methods: Thrombin (THR) was immobilized on the capillary's inner wall using polydopamine (PDA).

Quantification and discovery of quality markers from Toddalia asiatica by UHPLC-MS/MS coupled with chemometrics.

Introduction: Toddalia asiatica (TA) is a classical traditional Chinese medicine used to treat rheumatoid arthritis and contusions. However, research regarding TA quality control is currently limited.

Objective: We aimed to establish a strategy for identifying quality markers that can be used for the evaluation of the quality of TA.

A global profiling strategy for identification of the total constituents in Chinese herbal medicine based on online comprehensive two-dimensional liquid chromatography-quadrupole time-of-flight mass spectrometry combined with intelligentized chemical classification guidance.

A comprehensive strategy for effective identification of total constituents in Chinese patent medicine has been advanced applying full scan-preferred parent ions capture-static and active exclusion (FS-PIC-SAE) acquisition coupled with intelligent deep-learning supported mass defect filter (MDF) process, with Naoxintong capsule (NXT) as a case. Online comprehensive two-dimensional liquid chromatography (2DLC) coupled with Q-TOF-MS/MS system was established for obtaining the excellent separation and detection performance of total components, which could exhibit excellent peak capacity with 1052 and orthogonality with 0.69.

Simultaneous extraction and determination of alkaloids and organic acids in by vortex-assisted matrix solid phase dispersion extraction coupled with UHPLC-MS/MS.

A simple and efficient vortex-assisted matrix solid phase dispersion with a ultra-high-performance liquid chromatography-triple quadrupole mass spectrometer (VA-MSPD-UHPLC-MS/MS) was applied for simultaneous extraction and determination of seven alkaloids and three organic acids from . The optimal extraction conditions of the target components were obtained by Box-Behnken design (BBD) combined with response surface methodology (RSM). The results of the method validation showed that this analytical method displayed good linearity with a correlation coefficient (r) no lower than 0.

A green ultrasonic-assisted micellar extraction coupled with ultra-high performance liquid chromatography with photodiode array method for quantitative analysis of active ingredients in Yangxinshi Tablet.

An efficient and green ultrasonic-assisted micellar extraction method coupled with ultra-high performance liquid chromatography with photodiode array detection (UHPLC-PDA) was developed for the multi-ingredients quantitative analysis of Yangxinshi Tablet (YXST). The active ingredients were extracted from YXST using trehalose lipid biosurfactant solution as an environmentally friendly extraction solution. The response surface methodology (RSM) based on Box-Behnken design (BBD) was utilized to seek for the optimum extraction conditions of target analytes.