Evidence map›Paper›PMID 39862319›Full record

ArticleJournal of molecular modeling2025

Synergizing Monte Carlo simulations and experimental insights for efficient cationic dye removal using natural fluorapatite.

Imane El Mrabet, Anouar Ameziane El Hassani, Abdelghni Hsini, Abdelali El Gaidoumi, Karim Tanji, Zineb Chaouki, Mohamed Ebn Touhami, Abdelillah Shaim, Hicham Zaitan

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Article in Journal of molecular modeling, 2025. 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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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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Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

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5 · Who and what money

Authors and funding

9 authors.

Imane El MrabetTeam of Applied Chemistry, Geo-Mining, and Modeling (CAG2M), Polydisciplinary Faculty of Ouarzazate, Ibn Zohr University, 45000, Ouarzazate, Morocco. i.elmrabet@uiz.ac.ma.ORCID http://orcid.org/0000-0003-0476-0042
Anouar Ameziane El HassaniFaculty of Sciences Dhar El Mahraz, LIMAS, Sidi Mohamed Ben Abdellah University, Fez, Morocco.
Abdelghni HsiniLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, B.P. 133, 14000, Kenitra, Morocco.
Abdelali El GaidoumiLaboratory of Biotechnology, Bioressources and Bioinformatic (3Bio), Higher School of Technology of Khenifra, Sultan Moulay Slimane University, Beni Mellal, Morocco.
Karim TanjiLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, B.P. 133, 14000, Kenitra, Morocco.
Zineb ChaoukiInstitut National Thématique de Recherche Scientifique - Eau (INTR-EAU), Ibn Zohr University, 80000, Agadir, Morocco.
Mohamed Ebn TouhamiLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, B.P. 133, 14000, Kenitra, Morocco.
Abdelillah ShaimLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, B.P. 133, 14000, Kenitra, Morocco.
Hicham ZaitanProcesses, Materials and Environment Laboratory (LPME), Faculty of Sciences and Technology of Fez, Sidi Mohamed Ben Abdellah University, B.P. 2202, Fez, Morocco.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextNatural fluorapatite (FAP) has been investigated as an adsorbent for the removal of dyes such as methylene blue (MB) and crystal violet (CV) from aqueous solutions. Effective dye removal is crucial for water treatment, particularly for industrial wastewater containing toxic dyes. FAP, a naturally abundant material, was characterized using XRD, FTIR, and SEM analysis. The maximum adsorption efficiency achieved was 97% (23 mg/g) for CV and 95% (13 mg/g) for MB under optimal conditions within an equilibrium time of 50 min. The adsorption capacity increased with the ionic strength of the dye solution, reaching 35 mg/g for CV and 28 mg/g for MB. The kinetic study showed that the adsorption of CV and MB is well described by the pseudo-second-order kinetic model (R

methodsThe effects of various parameters, including dye concentration, temperature, adsorbent mass, and pH, on the adsorption capacity of FAP were studied. Experimental conditions included an initial dye concentration of 20 mg/L, adsorbent mass of 1 g/L, pH of 12, and temperature of 298 K. The Freundlich model was used to describe the adsorption process, while MD simulations provided insights into the adsorption mechanism.

Indexed as

AdsorptionCationic dyesFluorapatiteFukui functionsKineticsMonte Carlo molecular modeling

Identifiers

PMID39862319

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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.