AIMC Topic: Oxidation-Reduction

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Spectroscopic determination of the photodegradation of monovarietal extra virgin olive oils and their binary mixtures through intelligent systems.

Talanta
A common phenomenon that takes place in bottled extra virgin olive oil (EVOO) is the photooxidation of its pigments, especially chlorophyll, which acts as a singlet-oxygen sensitizer. This translates into a severe decrease of quality, potentially lea...

Robotic voltammetry with carbon nanotube-based sensors: a superb blend for convenient high-quality antimicrobial trace analysis.

International journal of nanomedicine
A new automated pharmacoanalytical technique for convenient quantification of redox-active antibiotics has been established by combining the benefits of a carbon nanotube (CNT) sensor modification with electrocatalytic activity for analyte detection ...

Exploring the Reaction Network of Acetic Acid in Supercritical Water via Machine Learning Interatomic Potential.

Journal of chemical information and modeling
Supercritical water oxidation offers promising solutions for waste treatment, but understanding its complex molecular reaction mechanisms remains challenging due to extreme experimental conditions. We compare two computational approaches, a machine l...

TP-Transformer: An Interpretable Model for Predicting the Transformation Pathways of Organic Pollutants in Chemical Oxidation Processes.

Environmental science & technology
Chemical oxidation is pivotal in remediating organic pollutants in aquatic systems; however, it frequently yields transformation products (TPs) with potential toxicological profiles surpassing those of the parent pollutants. Comprehensive identificat...

Machine Learning-Assisted Prediction and Exploration of the Homogeneous Oxidation of Mercury in Coal Combustion Flue Gas.

Environmental science & technology
Mercury emission from coal combustion flue gas is a significant environmental concern due to its detrimental effects on ecosystems and human health. Elemental mercury (Hg) is the dominant species in flue gas and is hard to immobilize. Therefore, it i...

Predicting Oxidation Potentials with DFT-Driven Machine Learning.

Journal of chemical information and modeling
We introduce OxPot, a comprehensive open-access data set comprising over 15 thousand chemically diverse organic molecules. Leveraging the precision of DFT-derived highest occupied molecular orbital energies (), OxPot serves as a robust platform for a...

Intelligent FA/FNA alternating strategy for nitrite-oxidizing bacteria inhibition: Data-driven prediction and process control.

Journal of environmental management
Alternating treatment with free ammonia (FA) and free nitrous acid (FNA) is an effective strategy to inhibit nitrite-oxidizing bacteria (NOB) in partial nitrification (PN) process. However, the current alternating treatment relies on manual assessmen...

Prediction of enhanced coagulation with varied pre-oxidations for seasonal variations of cyanobacteria-dominated algae-laden water quality.

Journal of environmental management
Enhanced coagulation with pre-oxidation is a cost-effective approach for managing seasonal water quality pollution caused by algal outbreaks and deaths. The synergistic application of pre-oxidants and coagulants, coupled with intelligent and precise ...