AIMC Topic: Kinetics
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Prediction of Cr(VI) and As(V) adsorption on goethite using hybrid surface complexation-machine learning model.
Water research
Apr 6, 2024
This study aimed to develop surface complexation modeling-machine learning (SCM-ML) hybrid model for chromate and arsenate adsorption on goethite. The feasibility of two SCM-ML hybrid modeling approaches was investigated. Firstly, we attempted to uti...
Amino-functionalized novel biosorbent for effective removal of fluoride from water: process optimization using artificial neural network and mechanistic insights.
Environmental science and pollution research international
Apr 5, 2024
Aqueous fluoride ( ) pollution is a global threat to potable water security. The present research envisions the development of novel adsorbents from indigenous Limonia acidissima L. (fruit pericarp) for effective aqueous defluoridation. The adsorben...
Biodegradation of ciprofloxacin using machine learning tools: Kinetics and modelling.
Journal of hazardous materials
Mar 21, 2024
Recently, the rampant administration of antibiotics and their synthetic organic constitutes have exacerbated adverse effects on ecosystems, affecting the health of animals, plants, and humans by promoting the emergence of extreme multidrug-resistant ...
Statistical versus neural network-embedded swarm intelligence optimization of a metallo-neutral-protease production: activity kinetics and food industry applications.
Preparative biochemistry & biotechnology
Mar 16, 2024
An integrated approach involving response surface methodology (RSM) and artificial neural network-ant-colony hybrid optimization (ANN-ACO) was adopted to develop a bioprocess medium to increase the yield of neutral protease under submerged fermentat...
Machine Learning Deciphered Molecular Mechanistics with Accurate Kinetic and Thermodynamic Prediction.
Journal of chemical theory and computation
Feb 23, 2024
Time-lagged independent component analysis (tICA) and the Markov state model (MSM) have been extensively employed for extracting conformational dynamics and kinetic community networks from unbiased trajectory ensembles. However, these techniques may ...
Artificial neural network-assisted thermogravimetric analysis of thermal degradation in combustion reactions: A study across diverse organic samples.
Environmental research
Feb 10, 2024
During gasification the kinetic and thermodynamic parameter depend on both the feedstock and the process conditions. As a result, one needs to enhance the understanding of how to model numerically these parameters using thermogravimetric analyzer. Co...
A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat.
Journal of computer-aided molecular design
Jan 31, 2024
An important aspect in the development of small molecules as drugs or agrochemicals is their systemic availability after intravenous and oral administration. The prediction of the systemic availability from the chemical structure of a potential candi...
Pattern recognition in the nucleation kinetics of non-equilibrium self-assembly.
Nature
Jan 17, 2024
Inspired by biology's most sophisticated computer, the brain, neural networks constitute a profound reformulation of computational principles. Analogous high-dimensional, highly interconnected computational architectures also arise within information...
MRI-Based Kinetic Heterogeneity Evaluation in the Accurate Access of Axillary Lymph Node Status in Breast Cancer Using a Hybrid CNN-RNN Model.
Journal of magnetic resonance imaging : JMRI
Jan 11, 2024
BACKGROUND: Accurate evaluation of the axillary lymph node (ALN) status is needed for determining the treatment protocol for breast cancer (BC). The value of magnetic resonance imaging (MRI)-based tumor heterogeneity in assessing ALN metastasis in BC...
Quantitative Rapid Magnetic Immunoassay for Sensitive Toxin Detection in Food: Non-Covalent Functionalization of Nanolabels vs. Covalent Immobilization.
Toxins
Dec 20, 2023
In this study, we present a novel and ultrasensitive magnetic lateral flow immunoassay (LFIA) tailored for the precise detection of zearalenone, a mycotoxin with significant implications for human and animal health. A versatile and straightforward me...
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