Evidence map›Paper›PMID 41598077›Full record

ArticleMaterials (Basel, Switzerland)2026

Polarity-Driven Selective Adsorption of Quercetin on Kaolinite: An Integrated DFT and Monte Carlo Study.

Abdelilah Ayad, Achraf Harrou, Abdelouahad El Himri, Mohammed Benali, Abdelouassia Dira, Santiago Aparicio, Alberto Gutiérrez, Armand Soldera, Elkhadir Gharibi

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In one paragraph

Article in Materials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing papers in PubMed
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1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Abdelilah AyadLaboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed First University, BP 717, Oujda 60000, Morocco.ORCID 0009-0003-1026-1458
Achraf HarrouLaboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed First University, BP 717, Oujda 60000, Morocco.
Abdelouahad El HimriLaboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed First University, BP 717, Oujda 60000, Morocco.
Mohammed BenaliUniversité de Technologie de Compiègne, Ecole Supérieure de Chimie Organique et Minérale, TIMR (Integrated Transformations of Renewable Matter), Centre de Recherches de Royallieu-CS, 60319-60203 Compiègne Cedex, France.ORCID 0000-0003-2815-9091
Abdelouassia DiraLaboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed First University, BP 717, Oujda 60000, Morocco.
Santiago AparicioDepartment of Chemistry, University of Burgos, 09001 Burgos, Spain.ORCID 0000-0001-9996-2426
Alberto GutiérrezDepartment of Chemistry, University of Burgos, 09001 Burgos, Spain.ORCID 0000-0003-2000-7413
Armand SolderaDepartment of Chemistry, Université de Sherbrooke, Sherbrooke, QC J1K 2R1, Canada.ORCID 0000-0001-5467-5714
Elkhadir GharibiLaboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed First University, BP 717, Oujda 60000, Morocco.ORCID 0000-0001-8036-5242

Funding

atural Sciences and Engineering Research Council (NSERC) of Canada RGPIN-2024-05202BIOVIA through the Biovia Science Ambassador programCNRST (Centre National pour la Recherche Scientifique et Technique) in Morocco
6 · The paper itself

Abstract

Quercetin's therapeutic potential is limited by its poor water solubility and rapid degradation. Natural clay minerals such as kaolinite present sustainable platforms for drug delivery, yet the molecular mechanisms of drug encapsulation are not fully understood. Specifically, the role of kaolinite's structural polarity, its hydrophilic aluminol (001) and hydrophobic siloxane (00-1) basal surfaces, in selective drug adsorption remains unexplored. This study combines Monte Carlo sampling and Density Functional Theory (DFT) to provide the first quantitative, atomistic comparison of quercetin adsorption on both kaolinite surfaces. The results demonstrate a pronounced polarity-driven selectivity. Strong, exothermic adsorption (-206.65 kJ mol

Indexed as

clayencapsulationflavonoidfoodnanocarrier designsurface engineering

Identifiers

PMID41598077
PMCPMC12843195

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.