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Oxidation-Reduction

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De novo design of luciferases using deep learning.

Nature
De novo enzyme design has sought to introduce active sites and substrate-binding pockets that are predicted to catalyse a reaction of interest into geometrically compatible native scaffolds, but has been limited by a lack of suitable protein structur...

CoO/CoFeO Hollow Nanocube Multifunctional Nanozyme with Oxygen Vacancies for Deep-Learning-Assisted Smartphone Biosensing and Organic Pollutant Degradation.

ACS applied materials & interfaces
Although the application of nanozymes has been widely studied, it is still a huge challenge to develop highly active and multifunctional nanozyme catalysts with a wider application prospect. CoO/CoFeO hollow nanocubes (HNCs) with oxygen vacancies wer...

Dynamics of redox signaling in aging via autophagy, inflammation, and senescence.

Biogerontology
Review paper attempts to explain the dynamic aspects of redox signaling in aging through autophagy, inflammation, and senescence. It begins with ROS source in the cell, then states redox signaling in autophagy, and regulation of autophagy in aging. N...

Predicting lifespan-extending chemical compounds for with machine learning and biologically interpretable features.

Aging
Recently, there has been a growing interest in the development of pharmacological interventions targeting ageing, as well as in the use of machine learning for analysing ageing-related data. In this work, we use machine learning methods to analyse da...

Predicting Antioxidant Synergism via Artificial Intelligence and Benchtop Data.

Journal of agricultural and food chemistry
Lipid oxidation is a major issue affecting products containing unsaturated fatty acids as ingredients or components, leading to the formation of low molecular weight species with diverse functional groups that impart off-odors and off-flavors. Aiming...

Optimization of catalytic wet air oxidation process in microchannel reactor for TBBS wastewater treatment.

Environmental technology
Catalytic wet air oxidation (CWAO) process is employed for the treatment of N-tert-butyl-2-benzothiazolesulfenamide (TBBS) wastewater in a microchannel reactor that enables continuous operation of the reaction and allows for thorough mixing of oxygen...

Comparison of hybrid RNA-based models to predict the degradation and mineralization of the microcontaminant hormone 17β-estradiol.

Chemosphere
New alternatives for effluent decontamination, such as electrochemical oxidation, are being developed to provide adequate removal of endocrine disruptors such as 17β-estradiol in wastewater. In this study, data-driven models of response surface metho...

Machine Learning-Based Prediction of Reduction Potentials for Pt Complexes.

Journal of chemical information and modeling
Some of the well-known drawbacks of clinically approved Pt complexes can be overcome using six-coordinate Pt complexes as inert prodrugs, which release the corresponding four-coordinate active Pt species upon reduction by cellular reducing agents. Th...

Insights into the transformation of natural organic matter during UV/peroxydisulfate treatment by FT-ICR MS and machine learning: Non-negligible formation of organosulfates.

Water research
Natural organic matter (NOM) is a major sink of radicals in advanced oxidation processes (AOPs) and understanding the transformation of NOM is important in water treatment. By using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR ...

Machine-Learning-Assisted Descriptors Identification for Indoor Formaldehyde Oxidation Catalysts.

Environmental science & technology
The development of highly efficient catalysts for formaldehyde (HCHO) oxidation is of significant interest for the improvement of indoor air quality. Up to 400 works relating to the catalytic oxidation of HCHO have been published to date; however, th...