AIMC Topic: Kinetics

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Artificial neural network (ANN) method for modeling of sunset yellow dye adsorption using zinc oxide nanorods loaded on activated carbon: Kinetic and isotherm study.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
In this research, ZnO nanoparticle loaded on activated carbon (ZnO-NPs-AC) was synthesized simply by a low cost and nontoxic procedure. The characterization and identification have been completed by different techniques such as SEM and XRD analysis. ...

Modeling Early-Onset Cancer Kinetics Reveals Changes in Underlying Risk and the Impact of Population Screening.

Cancer research
UNLABELLED: Recent studies have reported increases in early-onset cancer cases (diagnosed less than 50 years of age) and raised questions about whether the increase is related to earlier diagnosis from nonspecific medical tests as reflected by decrea...

Monitoring ctDNA in aggressive B-cell lymphoma: a prospective correlative study of ctDNA kinetics and PET-CT metrics.

Blood advances
Positron emission tomography-computed tomography (PET-CT) is recommended for response evaluation in aggressive large B-cell lymphoma (LBCL) but cannot detect minimal residual disease (MRD). Circulating tumor DNA (ctDNA) has emerged as a promising bio...

Finding the dark matter: Large language model-based enzyme kinetic data extractor and its validation.

Protein science : a publication of the Protein Society
Despite the vast number of enzymatic kinetic measurements reported across decades of biochemical literature, the majority of relational enzyme kinetic data-linking amino acid sequence, substrate identity, kinetic parameters, and assay conditions-rema...

Comparative evaluation of mechanistic models for biogas production in DIET-enhanced anaerobic digestion.

Journal of environmental management
Statistical modelling serves as a valuable tool for predicting biogas production during the anaerobic digestion (AD) of organic substrates. This study offers a comparative analysis of three widely used models, specifically, the first-order kinetic mo...

Pyrolysis mechanism study on xylose by combining experiments, chemical reaction neural networks and density functional theory.

Bioresource technology
Chemical reaction neural networks (CRNN) and density functional theory (DFT) are gaining attention in biomass pyrolysis mechanism research. Reaction pathways are often speculated based on a single method, influenced by expert knowledge. To address th...

Advancing Amorphous Solid Dispersions Design: Insights into Dissolution Kinetics via Thermodynamic Descriptor and Machine Learning.

Molecular pharmaceutics
Amorphous solid dispersions (ASD) are an effective strategy for enhancing the solubility and bioavailability of poorly soluble drugs. However, designing and optimizing ASD formulations often rely on extensive dissolution experiments without sufficie...

DeepMolecules: a web server for predicting enzyme and transporter-small molecule interactions.

Nucleic acids research
DeepMolecules is an easily accessible web server for predicting protein-small molecule interactions. It integrates four state-of-the-art models: ESP and SPOT for identifying substrates of enzymes and transporters, respectively, TurNuP for predicting ...

Accelerating mechanistic model calibration in protein chromatography using artificial neural networks.

Journal of chromatography. A
In the manufacturing of therapeutic monoclonal antibodies (mAbs), mechanistic models can aid the evaluation and selection of suitable chromatography operating conditions during process development. However, model calibration remains a common bottlene...

A machine learning approach for assessing acute infection by erythrocyte sedimentation rate (ESR) kinetics.

Clinica chimica acta; international journal of clinical chemistry
BACKGROUND: The erythrocyte sedimentation rate (ESR) is a traditional marker of inflammation, valued for its simplicity and low cost but limited by unsatisfactory specificity and sensitivity. This study evaluated the equivalence of ESR measurements o...