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Oxidation-Reduction

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Automated workflow for computation of redox potentials, acidity constants, and solvation free energies accelerated by machine learning.

The Journal of chemical physics
Fast evolution of modern society stimulates intense development of new materials with novel functionalities in energy and environmental applications. Due to rapid progress of computer science, computational design of materials with target properties ...

A graph-convolutional neural network for addressing small-scale reaction prediction.

Chemical communications (Cambridge, England)
We describe a graph-convolutional neural network (GCN) model, the reaction prediction capabilities of which are as potent as those of the transformer model based on sufficient data, and we adopt the Baeyer-Villiger oxidation reaction to explore their...

Micrometer-sized electrically programmable shape-memory actuators for low-power microrobotics.

Science robotics
Shape-memory actuators allow machines ranging from robots to medical implants to hold their form without continuous power, a feature especially advantageous for situations where these devices are untethered and power is limited. Although previous wor...

Kinetic study of dye removal using TiO supported on polyethylene terephthalate by advanced oxidation processes through neural networks.

Water science and technology : a journal of the International Association on Water Pollution Research
This work investigated the efficiency of polyethylene terephthalate (PET) as support material for TiO films in the photocatalytic degradation of red Bordeaux and yellow tartrazine dyes. The optimum operating conditions were determined by a factorial ...

Application of the advanced oxidative process on the degradation of the green leaf and purple açaí food dyes with kinetic monitoring and artificial neural network modelling.

Water science and technology : a journal of the International Association on Water Pollution Research
The study evaluated the advanced oxidative processes concerning the degradation of green leaf and purple açaí dyes, as well as the prediction of data through artificial neural networks (ANNs). It was verified that percentage of degradation on the wav...

Genetic algorithm and artificial neural network model for prediction of discoloration dye from an electro-oxidation process in a press-type reactor.

Water science and technology : a journal of the International Association on Water Pollution Research
This study evaluates the effectiveness of an artificial neural network-genetic algorithm (ANN-GA) artificial intelligence (AI) model in the prediction of behavior and optimization of an electro-oxidation pilot press-type reactor, which treats a synth...

Degradation of textile dyes Remazol Yellow Gold and reactive Turquoise: optimization, toxicity and modeling by artificial neural networks.

Water science and technology : a journal of the International Association on Water Pollution Research
In this work, the degradation of Remazol Yellow Gold RNL-150% and Reactive Turquoise Q-G125 were investigated using AOP: photolysis, UV/HO, Fenton and photo-Fenton. It was found that the photo-Fenton process employing sunlight radiation was the most ...

ACTIVITY OF BLACKCURRANT AND CHOKEBERRY EXTRACTS AND TWO MAJOR CYANIDIN GLYCOSIDES AGAINST LIPID MEMBRANE OXIDATION AND THEIR BINDING PROPERTIES TO ALBUMIN.

Acta poloniae pharmaceutica
The purpose of this study was to explain how extracts from chokeberry and blackcurrant interact with the lipid phase of biological membrane and with human albumin - the main protein of blood. Aiming at better understanding of the observed biological ...

Extraction Optimization, Composition Analysis, and Antioxidation Evaluation of Polysaccharides from White Jelly Mushroom, Tremella fuciformis (Tremellomycetes).

International journal of medicinal mushrooms
We investigated the sonication-assisted extraction (SAE) conditions of Tremella fuciformis polysaccharides. Single-factor experiments showed that the optimal sonication intensity was 6 W/cm2; the other SAE conditions were further optimized using resp...

Redox-Responsive Amphipathic Dextran Nanomicelles for Solid Tumor Therapy.

Journal of biomedical nanotechnology
A disulfide bond containing deoxycholic acid-grafted dextran (Dex-SSDCA) was successfully prepared for drug delivery. The Dex-SSDCA polymers can self-assemble into nanomicelles at concentrations below 56 g/mL and encapsulate doxorubicin (DOX) effecti...