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Kinetics

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OrganoIDNet: a deep learning tool for identification of therapeutic effects in PDAC organoid-PBMC co-cultures from time-resolved imaging data.

Cellular oncology (Dordrecht, Netherlands)
PURPOSE: Pancreatic Ductal Adenocarcinoma (PDAC) remains a challenging disease due to its complex biology and aggressive behavior with an urgent need for efficient therapeutic strategies. To assess therapy response, pre-clinical PDAC organoid-based m...

Prediction of micropollutant degradation kinetic constant by ultrasonic using machine learning.

Chemosphere
A prediction model based on XGBoost is proposed for ultrasonic degradation of micropollutants' kinetic constants. After parameter optimization through iteration, the model achieves Evaluation metrics with R and SMAPE reaching 0.99 and 2.06%, respecti...

The use of artificial neural network for modelling adsorption of Congo red onto activated hazelnut shell.

Environmental monitoring and assessment
Activated hazelnut shell (HSAC), an organic waste, was utilized for the adsorptive removal of Congo red (CR) dye from aqueous solutions, and a modelling study was conducted using artificial neural networks (ANNs). The structure and characteristic fun...

A parameter estimation method for chromatographic separation process based on physics-informed neural network.

Journal of chromatography. A
Chromatographic separation processes are most often modeled in the form of partial differential equations (PDEs) to describe the complex adsorption equilibria and kinetics. However, identifying parameters in such a model requires substantial computat...

Physiologically based kinetic (PBK) modeling of propiconazole using a machine learning-enhanced read-across approach for interspecies extrapolation.

Environment international
A significant challenge in the traditional human health risk assessment of agrochemicals is the uncertainty in quantifying the interspecies differences between animal models and humans. To work toward a more accurate and animal-free risk determinatio...

Artificial neural network modeling for the oxidation kinetics of divalent manganese ions during chlorination and the role of arsenite ions in the binary/ternary systems.

Water research
This study investigated the coexistence and contamination of manganese (Mn(II)) and arsenite (As(III)) in groundwater and examined their oxidation behavior under different equilibrating parameters, including varying pH, bicarbonate (HCO) concentratio...

MPEK: a multitask deep learning framework based on pretrained language models for enzymatic reaction kinetic parameters prediction.

Briefings in bioinformatics
Enzymatic reaction kinetics are central in analyzing enzymatic reaction mechanisms and target-enzyme optimization, and thus in biomanufacturing and other industries. The enzyme turnover number (kcat) and Michaelis constant (Km), key kinetic parameter...

Sustainable utilization of FeO-modified activated lignite for aqueous phosphate removal and ANN modeling.

Environmental research
Lignites are widely available and cost-effective in many countries. Sustainable methods for their utilization drive innovation, potentially advancing environmental sustainability and resource efficiency. In the present study, FeO (∼25.1 nm) supported...

Prediction of hydroxyl radical exposure during ozonation using different machine learning methods with ozone decay kinetic parameters.

Water research
The abatement of micropollutants by ozonation can be accurately calculated by measuring the exposures of molecular ozone (O) and hydroxyl radical (OH) (i.e., ∫[O]dt and ∫[OH]dt). In the actual ozonation process, ∫[O]dt values can be calculated by mon...

Artificial neural networks (ANN)-genetic algorithm (GA) optimization on thermosonicated achocha juice: kinetic and thermodynamic perspectives of retained phytocompounds.

Preparative biochemistry & biotechnology
The extraction of phytocompounds from Achocha () vegetable juice using traditional methods often results in suboptimal yields and efficiency. This study aimed to enhance the extraction process through the application of thermosonication (TS). To achi...