AIMC Topic: Adsorption

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Lactic acid bacteria as promising dietary-derived bioadsorbents for foodborne contaminants: Mechanism, application advances and future perspectives.

Food chemistry
Foodborne contaminants, such as mycotoxins and microplastics, pose significant threats to human health due to their high toxicity and persistence in the food chain, thus necessitate effective mitigation strategies. Lactic acid bacteria (LAB), charact...

Integrating AI-based neural network modeling with experimental characterization for Cd(II) ion adsorption using Sargassum fusiforme biosorbent.

Environmental research
Cadmium (Cd) contamination in wastewater presents serious environmental and public health challenges, requiring efficient mitigation strategies. This research focuses on assessing the biosorption capability of Sargassum fusiforme (SF) biosorbent for ...

Segmentation for Learning Adsorption Patterns and Residence-Time Kinetics on Amorphous Surfaces.

Journal of chemical information and modeling
Heterogeneous surfaces such as amorphous silica are characterized by highly heterogeneous local atomic environments that govern the adsorption of gas molecules through spatial arrangements. These surfaces exhibit properties that are particularly rele...

3D Spatial Learning for Adsorption Energy Prediction in Multi-Temporal Solution Systems: The MTSS Data Set and a GCN-Based Network.

Journal of chemical information and modeling
Existing methods for adsorption energy prediction primarily focus on individual molecules or static molecular pairs, lacking the capabilities to model the diverse spatial configurations found in complex solution systems. While traditional data sets a...

Explainable machine learning for comprehensive characterization of poly (6-(Ethoxybenzothiazole acrylamide)) resin for removal of Th(IV), As(V), and Hg(II) ions from aqueous solution.

Environmental geochemistry and health
Adsorption is a promising technique with significant potential for water purification. In this context, the present study examines the adsorption efficiency of poly(6-(ethoxybenzothiazole acrylamide) (PEBTA) in removing high-valent metal ions from aq...

Comparative analysis of multiple machine learning models: identifying impact factors in biochar heavy metal adsorption mechanisms.

Environmental geochemistry and health
The contribution analysis of influencing factors governing biochar-mediated heavy metal adsorption in aqueous systems holds significant implications for cost-effective water remediation. Current studies predominantly rely on single-model approaches t...

Simulation, prediction and optimization of heavy metal adsorption by metal-organic frameworks with machine learning.

Environmental research
The unique structures and complex characteristics of Metal-organic frame (MOFs) obscure understanding the processes and mechanisms of heavy metal (HM) removal. This study established an interpretable machine learning (ML) framework predicting adsorpt...

Machine Learning-Assisted Prediction of Mercury Removal Efficiency of Carbon-Based Adsorbents.

Environmental science & technology
Adsorbent injection is the most promising technology for solving anthropogenic mercury (mainly Hg) emission from stationary sources. Carbon-based adsorbents have strong potential for Hg removal due to their high specific surface area and abundant fun...

Small sample data-driven interpretable artificial neural network computation for two-component chromatographic separation process.

Journal of chromatography. A
The design and calculation of chromatographic separation processes are often achieved by chromatographic models. When the adsorption mechanism is complex and the adsorption relationship is difficult to determine, the application effect of mechanism-d...

A Machine Learning-Based Modeling Approach for Dye Removal Using Modified Natural Adsorbents.

Journal of chemical information and modeling
This study used machine learning models to investigate the potential of biosorbents derived from natural fruit seed waste (apricot, almond, and walnut) for removing a cationic dye. Levulinic acid (LA)-modified powders of almond shell (ASh), apricot k...