AIMC Topic: Catalysis
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Enhancing Machine-Learning Prediction of Enzyme Catalytic Temperature Optima through Amino Acid Conservation Analysis.
International journal of molecular sciences
Jun 6, 2024
Enzymes play a crucial role in various industrial production and pharmaceutical developments, serving as catalysts for numerous biochemical reactions. Determining the optimal catalytic temperature () of enzymes is crucial for optimizing reaction cond...
ChatGPT Combining Machine Learning for the Prediction of Nanozyme Catalytic Types and Activities.
Journal of chemical information and modeling
Jun 3, 2024
The design of nanozymes with superior catalytic activities is a prerequisite for broadening their biomedical applications. Previous studies have exerted significant effort in theoretical calculation and experimental trials for enhancing the catalytic...
Enhanced wastewater treatment by catalytic persulfate activation with protonated hydroxylamine-assisted iron: Insights from a deep learning-based numerical investigation.
Chemosphere
May 25, 2024
RSM and ANN methodologies in modeling the enhanced biodiesel production using novel protic ionic liquid anchored on g-CN@FeO nanohybrid.
Chemosphere
May 25, 2024
Herin, a new nanohybrid acid catalyst was fabricated for the efficient biodiesel production. At the first, magnetic porous nanosheets of graphitic carbon nitride (g-CN@FeO) was prepared and then functionalized with sulfonic acid. Next, the preparatio...
AI-Powered Knowledge Base Enables Transparent Prediction of Nanozyme Multiple Catalytic Activity.
The journal of physical chemistry letters
May 23, 2024
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
May 20, 2024
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
May 8, 2024
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
May 5, 2024
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
May 2, 2024
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
May 1, 2024
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...
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