AIMC Topic: Catalysis
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Photocatalytic microrobots for treating bacterial infections deep within sinuses.
Science robotics
Jun 25, 2025
Microrobotic techniques are promising for treating biofilm infections located deep within the human body. However, the presence of highly viscous pus presents a formidable biological barrier, severely restricting targeted and minimally invasive treat...
Machine Learning Driven Synthesis of Cobalt Oxide Entrapped Heteroatom-Doped Graphitic Carbon Nitride for Enhanced Oxygen Evolution Reaction.
PloS one
Jun 11, 2025
Developing highly efficient electrocatalysts for the oxygen evolution reaction is hindered by sluggish multi-electron kinetics, poor charge transfer efficiency, and limited active site accessibility. Transition metal-based electrocatalysts, such as c...
Developing Pharmaceutically Relevant Pd-Catalyzed C-N Coupling Reactivity Models Leveraging High-Throughput Experimentation.
Journal of the American Chemical Society
May 29, 2025
This manuscript presents machine learning models for Pd-catalyzed C-N couplings constructed using a large, pharmaceutically relevant, structurally diverse dataset (4204 unique products) generated using high-throughput experimentation. The dataset ge...
In-situ conversion of hemicellulose to furfural by Lewis acid-enhanced deep eutectic solvents to maintain stable pretreatment performance and trigger profitable biorefining processes.
International journal of biological macromolecules
Apr 30, 2025
Deep eutectic solvents (DESs) are gaining attention for lignocellulose pretreatment, yet screening methods and stable cyclic processes remain underexplored. This study compared solubility and machine learning to predict delignification, screening the...
Artificial intelligence driven platform for rapid catalytic performance assessment of nanozymes.
Scientific reports
Apr 17, 2025
Traditional methods for synthesizing nanozymes are often time-consuming and complex, hindering efficiency. Artificial intelligence (AI) has the potential to simplify these processes, but there are very few dedicated nanozyme databases available, limi...
Machine Learning Accelerated Discovery of Covalent Organic Frameworks for Environmental and Energy Applications.
Environmental science & technology
Mar 30, 2025
Covalent organic frameworks (COFs) are porous crystalline materials obtained by linking organic ligands covalently. Their high surface area and adjustable pore sizes make them ideal for a range of applications, including CO capture, CH storage, gas s...
An efficient catalyst screening strategy combining machine learning and causal inference.
Journal of environmental management
Feb 24, 2025
Due to the diversity of catalyst synthesis methods, the optimization of catalysts by traditional experimental methods have brought greater challenges. This study presents a new strategy for determining catalyst performance by substituting causal infe...
Deep learning-driven semi-rational design in phenylalanine ammonia-lyase for enhanced catalytic efficiency.
International journal of biological macromolecules
Feb 19, 2025
Phenylalanine ammonia-lyase (PAL) possesses significant potential in agriculture, industry, and the treatment of various diseases, including cancer. In particular, PAL derived from Anabaena variabilis (AvPAL) has been successfully utilized in clinica...
Deep Learning-Assisted Fluorescence Single-Particle Detection of Fumonisin B Powered by Entropy-Driven Catalysis and Argonaute.
Analytical chemistry
Jan 27, 2025
Timely and accurate detection of trace mycotoxins in agricultural products and food is significant for ensuring food safety and public health. Herein, a deep learning-assisted and entropy-driven catalysis (EDC)-Argonaute powered fluorescence single-p...
Kinetics, central composite design and artificial neural network modelling of ciprofloxacin antibiotic photodegradation using fabricated cobalt-doped zinc oxide nanoparticles.
Scientific reports
Jan 10, 2025
Cobalt-doped zinc oxide nanoparticles were fabricated and examined in this study as a potential photocatalyst for the antibiotic ciprofloxacin (CIPF) degradation when exposed to visible LED light. The Co-precipitation technique created Cobalt-doped z...
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