Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies
In the present work, the adsorption of vitamin B12 (VB12) on sugarcane-derived activated carbon (AC) was investigated with the purpose of developing a hybrid material able to degrade highly toxic and recalcitrant chlordecone (CLD) for remediating the severe environmental issue of pesticide pollution...
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2025-05-01
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| author | Ronald Ranguin Mohamed Chaker Ncibi Corine Jean-Marius François Brouers Gerardo Cebrián-Torrejón Antonio Doménech-Carbó Steffen Souila José-Emilio Sánchez-Aparicio Daniel Dorce Iker Zapirain-Gysling Jean-Didier Maréchal Ulises Jauregui-Haza Sarra Gaspard |
| author_facet | Ronald Ranguin Mohamed Chaker Ncibi Corine Jean-Marius François Brouers Gerardo Cebrián-Torrejón Antonio Doménech-Carbó Steffen Souila José-Emilio Sánchez-Aparicio Daniel Dorce Iker Zapirain-Gysling Jean-Didier Maréchal Ulises Jauregui-Haza Sarra Gaspard |
| author_sort | Ronald Ranguin |
| collection | DOAJ |
| description | In the present work, the adsorption of vitamin B12 (VB12) on sugarcane-derived activated carbon (AC) was investigated with the purpose of developing a hybrid material able to degrade highly toxic and recalcitrant chlordecone (CLD) for remediating the severe environmental issue of pesticide pollution of water and soil. The AC used is made from locally accessible sugarcane bagasse. The experimental kinetic and isothermic data of VB12 adsorption on AC were modeled using multiple models, including Pseudo-Order 1 (Lagergren), Pseudo-Order 2, Elovich, and Brouers–Sotolongo models for the kinetics. The isotherms models used were Langmuir, Freundlich, Hill–Sips, Brouers–Sotolongo (BS), Brouers-Gaspard (BG), General Brouers–Sotolongo (GBS), and Redlich–Peterson (RP) models. The results showed that the BG model is the most suitable to satisfactorily describe the adsorption of VB12 on the studied AC, involving a heterogeneous adsorption mechanism onto a heterogeneous surface and providing the maximum adsorption capacity, a convenient tool to estimate the saturation level of adsorbate (i.e., chlordecone (CLD)) onto the adsorbent (AC). Voltammetric studies confirm the interaction between VB12 and the AC. Finally, molecular modeling is used to provide atomic insights showing the entrapment of VB12 inside the porous system to form a new hybrid material. The calculations provide the conformations with the best binding energy in the GaudiMM environment. |
| format | Article |
| id | doaj-art-8515c1486bbb4e1185d584b4e94aa10c |
| institution | DOAJ |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-05-01 |
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| series | Molecules |
| spelling | doaj-art-8515c1486bbb4e1185d584b4e94aa10c2025-08-20T03:14:42ZengMDPI AGMolecules1420-30492025-05-013010209610.3390/molecules30102096Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling StudiesRonald Ranguin0Mohamed Chaker Ncibi1Corine Jean-Marius2François Brouers3Gerardo Cebrián-Torrejón4Antonio Doménech-Carbó5Steffen Souila6José-Emilio Sánchez-Aparicio7Daniel Dorce8Iker Zapirain-Gysling9Jean-Didier Maréchal10Ulises Jauregui-Haza11Sarra Gaspard12Laboratory “Connaissance et Valorisation: Chimie des Matériaux, Environnement, Énergie” (COVACHIM–M2E–EA 3592)—Faculté des Sciences Exactes et Naturelles, Université des Antilles, B.P. 250, CEDEX, 97157 Pointe-à-Pitre, FranceInternational Water Research Institute, Mohammed VI Polytechnic University, Green City Ben Guerir 43150, MoroccoLaboratory “Connaissance et Valorisation: Chimie des Matériaux, Environnement, Énergie” (COVACHIM–M2E–EA 3592)—Faculté des Sciences Exactes et Naturelles, Université des Antilles, B.P. 250, CEDEX, 97157 Pointe-à-Pitre, FranceEmeritus Professor of Faculty of Applied Physics, Liege University, 4000 Liège, BelgiumLaboratory “Connaissance et Valorisation: Chimie des Matériaux, Environnement, Énergie” (COVACHIM–M2E–EA 3592)—Faculté des Sciences Exactes et Naturelles, Université des Antilles, B.P. 250, CEDEX, 97157 Pointe-à-Pitre, FranceDepartament de Química Analítica, Universitat de València, Dr. Moliner, 50, 46100 Burjassot, València, SpainDepartament de Química Analítica, Universitat de València, Dr. Moliner, 50, 46100 Burjassot, València, SpainInSiliChem, Departament de Química, Universitat Autònoma de Barcelona, Campus Bellaterra, 08193 Cerdanyola-del-Vallés, Barcelona, SpainLaboratory “Connaissance et Valorisation: Chimie des Matériaux, Environnement, Énergie” (COVACHIM–M2E–EA 3592)—Faculté des Sciences Exactes et Naturelles, Université des Antilles, B.P. 250, CEDEX, 97157 Pointe-à-Pitre, FranceInSiliChem, Departament de Química, Universitat Autònoma de Barcelona, Campus Bellaterra, 08193 Cerdanyola-del-Vallés, Barcelona, SpainInSiliChem, Departament de Química, Universitat Autònoma de Barcelona, Campus Bellaterra, 08193 Cerdanyola-del-Vallés, Barcelona, SpainÁrea de Ciencias Básicas y Ambientales, Instituto Tecnolόgico de Santo Domingo (INTEC), Santo Domingo 10602, Dominican RepublicLaboratory “Connaissance et Valorisation: Chimie des Matériaux, Environnement, Énergie” (COVACHIM–M2E–EA 3592)—Faculté des Sciences Exactes et Naturelles, Université des Antilles, B.P. 250, CEDEX, 97157 Pointe-à-Pitre, FranceIn the present work, the adsorption of vitamin B12 (VB12) on sugarcane-derived activated carbon (AC) was investigated with the purpose of developing a hybrid material able to degrade highly toxic and recalcitrant chlordecone (CLD) for remediating the severe environmental issue of pesticide pollution of water and soil. The AC used is made from locally accessible sugarcane bagasse. The experimental kinetic and isothermic data of VB12 adsorption on AC were modeled using multiple models, including Pseudo-Order 1 (Lagergren), Pseudo-Order 2, Elovich, and Brouers–Sotolongo models for the kinetics. The isotherms models used were Langmuir, Freundlich, Hill–Sips, Brouers–Sotolongo (BS), Brouers-Gaspard (BG), General Brouers–Sotolongo (GBS), and Redlich–Peterson (RP) models. The results showed that the BG model is the most suitable to satisfactorily describe the adsorption of VB12 on the studied AC, involving a heterogeneous adsorption mechanism onto a heterogeneous surface and providing the maximum adsorption capacity, a convenient tool to estimate the saturation level of adsorbate (i.e., chlordecone (CLD)) onto the adsorbent (AC). Voltammetric studies confirm the interaction between VB12 and the AC. Finally, molecular modeling is used to provide atomic insights showing the entrapment of VB12 inside the porous system to form a new hybrid material. The calculations provide the conformations with the best binding energy in the GaudiMM environment.https://www.mdpi.com/1420-3049/30/10/2096nanomaterialsactivated Carbonvitamin B12electrochemicalmolecular modellingmolecular docking |
| spellingShingle | Ronald Ranguin Mohamed Chaker Ncibi Corine Jean-Marius François Brouers Gerardo Cebrián-Torrejón Antonio Doménech-Carbó Steffen Souila José-Emilio Sánchez-Aparicio Daniel Dorce Iker Zapirain-Gysling Jean-Didier Maréchal Ulises Jauregui-Haza Sarra Gaspard Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies Molecules nanomaterials activated Carbon vitamin B12 electrochemical molecular modelling molecular docking |
| title | Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies |
| title_full | Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies |
| title_fullStr | Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies |
| title_full_unstemmed | Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies |
| title_short | Adsorption of Vitamin B12 on Sugarcane-Derived Activated Carbon: Fractal Isotherm and Kinetics Modelling, Electrochemistry and Molecular Modelling Studies |
| title_sort | adsorption of vitamin b12 on sugarcane derived activated carbon fractal isotherm and kinetics modelling electrochemistry and molecular modelling studies |
| topic | nanomaterials activated Carbon vitamin B12 electrochemical molecular modelling molecular docking |
| url | https://www.mdpi.com/1420-3049/30/10/2096 |
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