AIMC Topic: Catalysis

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AI-Powered Knowledge Base Enables Transparent Prediction of Nanozyme Multiple Catalytic Activity.

The journal of physical chemistry letters
Nanozymes are unique materials with many valuable properties for applications in biomedicine, biosensing, environmental monitoring, and beyond. In this work, we developed a machine learning (ML) approach to search for new nanozymes and deployed a web...

FPNC Net: A hydrogenation catalyst image recognition algorithm based on deep learning.

PloS one
The identification research of hydrogenation catalyst information has always been one of the most important businesses in the chemical industry. In order to aid researchers in efficiently screening high-performance catalyst carriers and tackle the pr...

Biomimetic piezoelectric nanomaterial-modified oral microrobots for targeted catalytic and immunotherapy of colorectal cancer.

Science advances
Lactic acid (LA) accumulation in the tumor microenvironment poses notable challenges to effective tumor immunotherapy. Here, an intelligent tumor treatment microrobot based on the unique physiological structure and metabolic characteristics of (VA) ...

Unveiling the potential of machine learning in cost-effective degradation of pharmaceutically active compounds: A stirred photo-reactor study.

Chemosphere
In this study, neural networks and support vector regression (SVR) were employed to predict the degradation over three pharmaceutically active compounds (PhACs): Ibuprofen (IBP), diclofenac (DCF), and caffeine (CAF) within a stirred reactor featuring...

Machine Learning-Accelerated High-Throughput Computational Screening: Unveiling Bimetallic Nanoparticles with Peroxidase-Like Activity.

ACS nano
Bimetallic nanoparticles (NPs) with peroxidase-like (POD-like) activity play a crucial role in biosensing, disease treatment, environmental management, and other fields. However, their development is impeded by a vast range of tunable properties in c...

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...

Application of machine learning in the study of cobalt-based oxide catalysts for antibiotic degradation: An innovative reverse synthesis strategy.

Journal of hazardous materials
This study addresses antibiotic pollution in global water bodies by integrating machine learning and optimization algorithms to develop a novel reverse synthesis strategy for inorganic catalysts. We meticulously analyzed data from 96 studies, ensurin...

Photocatalytic decomposition of metronidazole by zinc hexaferrite coated with bismuth oxyiodide magnetic nanocomposite: Advanced modelling and optimization with artificial neural network.

Chemosphere
The objective of the present study was to employ a green synthesis method to produce a sustainable ZnFeO/BiOI nanocomposite and evaluate its efficacy in the photocatalytic degradation of metronidazole (MNZ) from aqueous media. An artificial neural ne...

Context-dependent design of induced-fit enzymes using deep learning generates well-expressed, thermally stable and active enzymes.

Proceedings of the National Academy of Sciences of the United States of America
The potential of engineered enzymes in industrial applications is often limited by their expression levels, thermal stability, and catalytic diversity. De novo enzyme design faces challenges due to the complexity of enzymatic catalysis. An alternativ...

Environmental resilience through artificial intelligence: innovations in monitoring and management.

Environmental science and pollution research international
The rapid rise of artificial intelligence (AI) technology has revolutionized numerous fields, with its applications spanning finance, engineering, healthcare, and more. In recent years, AI's potential in addressing environmental concerns has garnered...