AIMC Topic: Catalysis

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Intelligent machines as social catalysts.

Proceedings of the National Academy of Sciences of the United States of America

Modeling and optimization of imidacloprid degradation by catalytic percarbonate oxidation using artificial neural network and Box-Behnken experimental design.

Chemosphere
Due to its toxicity and persistence, pesticide pollution poses a serious threat to human health and the environment. Imidacloprid or IMD is an archetypal neonicotinoid insecticide commonly used to protect a variety of crops worldwide. The present stu...

Predicting the higher heating value of syngas pyrolyzed from sewage sludge using an artificial neural network.

Environmental science and pollution research international
Sludge pyrolysis is a complex process including complicated reaction chemistry, phase transition, and transportation phenomena. To better evaluate the use of syngas, the monitoring and prediction of a higher heating value (HHV) is necessary. This stu...

Learning To Predict Reaction Conditions: Relationships between Solvent, Molecular Structure, and Catalyst.

Journal of chemical information and modeling
Reaction databases provide a great deal of useful information to assist planning of experiments but do not provide any interpretation or chemical concepts to accompany this information. In this work, reactions are labeled with experimental conditions...

Ultrasensitive sandwich-type immunosensor for cardiac troponin I based on enhanced electrocatalytic reduction of HO using β-cyclodextrins functionalized 3D porous graphene-supported Pd@Au nanocubes.

Journal of materials chemistry. B
In this study, Pd@Au nanocubes supported β-cyclodextrins functionalized three-dimensional porous graphene (CDs-3D-PG-Pd@Au NCs) was synthesized using a facile method. β-cyclodextrins (CDs) were beneficial in improving the dispersibility of three-dime...

Synthesis of Ag/AgCl modified anhydrous basic bismuth nitrate from BiOCl and the antibacterial activity.

Materials science & engineering. C, Materials for biological applications
Novel nanocomposite of Ag/AgCl and a single phase of anhydrous basic bismuth nitrate (ABBN)-BiO(OH)(NO) with efficient antibacterial activity was prepared from BiOCl. Microstructure was characterized as AgCl nanotubes and Ag nanoparticles mixed with ...

Light-Driven Micro/Nanomotor for Promising Biomedical Tools: Principle, Challenge, and Prospect.

Accounts of chemical research
A micro/nanomotor (MNM), as miniaturized machinery, can potentially bridge the application gap between the traditional macroscale motor and the molecular motor to manipulate materials at the cellular scale. The fascinating biomedical potential applic...

Redesigning the Materials and Catalysts Database Construction Process Using Ontologies.

Journal of chemical information and modeling
Materials and catalyst informatics are emerging fields that are a result of shifts in terms of how materials and catalysts are discovered in the fields of materials science and catalysis. However, these fields are not reaching their full potential du...

PREvaIL, an integrative approach for inferring catalytic residues using sequence, structural, and network features in a machine-learning framework.

Journal of theoretical biology
Determining the catalytic residues in an enzyme is critical to our understanding the relationship between protein sequence, structure, function, and enhancing our ability to design novel enzymes and their inhibitors. Although many enzymes have been s...

Electrochemical immunosensor for the breast cancer marker CA 15-3 based on the catalytic activity of a CuS/reduced graphene oxide nanocomposite towards the electrooxidation of catechol.

Mikrochimica acta
The authors report on an electrochemical immunosensor for the tumor marker carbohydrate antigen 15-3 (CA15-3). It is based on the use of a composite consisting of reduced graphene oxide (RGO) and copper sulfide (CuS) that was placed on a screen-print...