AIMC Topic: Oxidation-Reduction

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Metabolic reprogramming and machine learning-guided cofactor engineering to boost nicotinamide mononucleotide production in Escherichia coli.

Bioresource technology
Nicotinamide mononucleotide (NMN) is a bioactive compound in NAD(P) metabolism, which exhibits diverse pharmaceutical interests. However, enhancing NMN biosynthesis faces the challange of competing with cell growth and disturbing intracellular redox ...

Geometry-encoded molecular dynamics enables deep learning insights into P450 regiospecificity control.

Scientific reports
Cytochrome P450 1A2, as many isoenzymes, can generate multiple metabolites from a single substrate. A loose coupling between substrate binding and oxygen activation makes possible substrate reorientations at the active site prior to catalysis. In the...

Automated and explainable machine learning for monitoring lipid and protein oxidative damage in mutton using hyperspectral imaging.

Food research international (Ottawa, Ont.)
Current detection methods for lipid and protein oxidation using hyperspectral imaging (HSI) in conjunction with machine learning (ML) necessitate the involvement of data scientists and domain experts to adjust the model architecture and tune hyperpar...

Enhanced prediction of partial nitrification-anammox process in wastewater treatment by developing an attention-based deep learning network.

Journal of environmental management
In the process of partial nitrification and anaerobic ammonia oxidation (anammox) for nitrogen removal, the process offers simple metabolic pathways, low operating costs, and high nitrogenous loading rates. However, since the partial nitrification-an...

Interpretable Machine Learning Models Delivering a New Perspective for the Reaction Mechanism between Organic Pollutants and Oxidative Radicals.

Environmental science & technology
Machine learning (ML) is expected to bring new insights into the impact of organic structures on the reaction mechanisms in reactive oxygen species oxidation. However, understanding the underlying chemical mechanisms still faces challenges due to the...

Cytotoxicity, Antiadipogenic, Low-Density Lipoprotein Oxidation Inhibitory Activities, and Acute Toxicity Study of Hydroethanolic Leaf and Bark Extracts.

TheScientificWorldJournal
Obesity is increasingly taking an important stage as a cause of death worldwide, and interventions with a good cost-effectiveness ratio are needed. is one of these natural products with health benefits. Objective. The present study evaluated the cy...

Measuring Metabolic Changes in Cancer Cells Using Two-Photon Fluorescence Lifetime Imaging Microscopy and Machine-Learning Analysis.

Journal of biophotonics
Two-photon (2P) fluorescence lifetime imaging microscopy (FLIM) was used to track cellular metabolism with drug treatment of auto-fluorescent coenzymes NAD(P)H and FAD in living cancer cells. Simultaneous excitation at 800 nm of both coenzymes was co...

Perfluorooctanoic Acids (PFOA) removal using electrochemical oxidation: A machine learning approach.

Journal of environmental management
The urgent need to eliminate Perfluorooctanoic Acid (PFOA) has positioned electrooxidation (EO) as a key solution for pollutant degradation. This study evaluates several machine learning (ML) models, including K-Nearest Neighbors (KNN), Decision Tree...

A machine learning-guided modeling approach to the kinetics of α-tocopherol and myricetin synergism in bulk oil oxidation.

Food chemistry
The shelf-life and quality of food products depend heavily on antioxidants, which protect lipids from free radical degradation. α-Tocopherol and myricetin, two potent antioxidants, synergistically enhance the prevention of oxidative rancidity in bulk...