AIMC Topic: Epoxy Compounds

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Mechanism of triptolide in the treatment of gastric cancer with diabetes through JAK2/STAT3 pathway.

European journal of pharmacology
Univariate and multivariate Cox analyses revealed a correlation between diabetes and the prognosis of gastric cancer patients (p < 0.05). Using bioinformatics, Serine/threonine-protein kinase pim-1 (PIM1) was identified as the core target gene of tri...

Inverse design of chemoenzymatic epoxidation of soyabean oil through artificial intelligence-driven experimental approach.

Bioresource technology
This paper presents an inverse design methodology that utilizes artificial intelligence (AI)-driven experiments to optimize the chemoenzymatic epoxidation of soyabean oil using hydrogen peroxide and lipase (Novozym 435). First, experiments are conduc...

Femtosecond laser programmed artificial musculoskeletal systems.

Nature communications
Natural musculoskeletal systems have been widely recognized as an advanced robotic model for designing robust yet flexible microbots. However, the development of artificial musculoskeletal systems at micro-nanoscale currently remains a big challenge,...

In Silico Prediction of Metabolic Epoxidation for Drug-like Molecules via Machine Learning Methods.

Molecular informatics
Epoxidation is one of the reactions in drug metabolism. Since epoxide metabolites would bind with proteins or DNA covalently, drugs should avoid epoxidation metabolism in the body. Due to the instability of epoxide, it is difficult to determine epoxi...

A new method for internal urinary metabolite exposure and dietary exposure association assessment of 3-MCPD and glycidol and their esters based on machine learning.

Ecotoxicology and environmental safety
3-Monochloropropane-1,2-diol (3-MCPD) and glycidol along with their esters are commonly found in chemical production, wastewater treatment, food processing, and exhibit toxicity. Accurate exposure assessment is essential for evaluating the environmen...

Optimizing Vanadium-Catalyzed Epoxidation Reactions: Machine-Learning-Driven Yield Predictions and Data Augmentation.

Journal of chemical information and modeling
Catalytic epoxidations are key chemical processes serving as essential steps in the synthesis of commercially valuable compounds. This study presents an innovative supervised machine learning (ML) model to predict the reaction yield of the vanadium-c...

Rational Design of an Epoxide Hydrolase From Spatholobus Suberectus: Enhancing Catalytic Activity and Thermostability for Efficient (R)-Styrene Oxide Production.

Biotechnology journal
(R)-Styrene oxide is a high-value chiral intermediate in pharmaceutical and chemical industries, yet its enantioselective synthesis remains challenging. Here, we engineered an epoxide hydrolase from Spatholobus suberectus (SsEH) to address its limita...

[Determination of Triptolide and Wilforlide A in Biological Samples by LC-MS/MS].

Fa yi xue za zhi
OBJECTIVE: To determinate triptolide and wilforlide A in biological samples by liquid chromatography-tandem mass spectrometry (LC-MS/MS) method and to verify the method.