AIMC Topic: Oxidation-Reduction
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Machine Learning-Based Prediction of Reduction Potentials for Pt Complexes.
Journal of chemical information and modeling
Apr 29, 2024
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
Apr 1, 2024
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 ...
Comparison of hybrid RNA-based models to predict the degradation and mineralization of the microcontaminant hormone 17β-estradiol.
Chemosphere
Dec 4, 2023
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...
Optimization of catalytic wet air oxidation process in microchannel reactor for TBBS wastewater treatment.
Environmental technology
Nov 24, 2023
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...
Predicting Antioxidant Synergism via Artificial Intelligence and Benchtop Data.
Journal of agricultural and food chemistry
Oct 5, 2023
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...
Predicting lifespan-extending chemical compounds for with machine learning and biologically interpretable features.
Aging
Jul 13, 2023
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...
Dynamics of redox signaling in aging via autophagy, inflammation, and senescence.
Biogerontology
May 17, 2023
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...
Synthesis of δ-MnO via ozonation routine for low temperature formaldehyde removal.
Journal of environmental sciences (China)
Apr 27, 2023
Nowadays, it is still a challenge to prepared high efficiency and low cost formaldehyde (HCHO) removal catalysts in order to tackle the long-living indoor air pollution. Herein, δ-MnO is successfully synthesized by a facile ozonation strategy, where ...
De novo design of luciferases using deep learning.
Nature
Feb 22, 2023
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
Feb 21, 2023
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...
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