α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection

Mohanned Al-Anber; Rasha Hameed

doi:10.15446/rev.colomb.quim.v53n2.118870

Publicado

2025-07-07

α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection

Adsorción de α-D-glucosa en nanoclústeres de Al24N24 y Al23N24 dopados con metales de transición: nuevas perspectivas para la biodetección

Adsorção de α-D-glicose em nanoaglomerados de Al24N24 e Al23N24 dopados com metal de transição: novas perspectivas para a biodetecção

DOI:

https://doi.org/10.15446/rev.colomb.quim.v53n2.118870

Palabras clave:

Nanoclusters, glucose adsorption, binding energy, density of states, biosensors (en)
nanoclusters, adsorción de glucosa, energía de enlace, densidad de estados, biosensores (es)
nanoclusters, adsorção de glicose, energia de ligação, densidade de estados, biossensores (pt)

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Autores/as

Mohanned Al-Anber University of BasrahFaculty of ScienceDepartment of PhysicsMolecular Engineering and Computational Modeling Lab. https://orcid.org/0000-0001-9093-6811
Rasha Hameed University of Basrah https://orcid.org/0000-0002-4844-2313

This work examines the structural and electrical characteristics of pristine Al₂₄N₂₄ and X-doped Al₂₃N₂₄ nanoclusters (X = Co, Ni, or Si) in their interaction with α-D-glucose molecules. Utilizing B3LYP/6-311+G(d,p) computational methods, we examine the optimal geometries, binding energies, cohesive energies, and electrical properties of these nanoclusters. Our results indicate that SiAl₂₃N₂₄has the maximum binding energy, whereas CoAl₂₃N₂₄presents just a marginal positive binding energy. The adsorption energies of glucose on these nanoclusters suggest a chemisorption mechanism. The study found that hexagonal SiAl₂₃N₂₄and tetrahedral NiAl₂₃N₂₄ exhibited the most promising characteristics for glucose sensing due to significant bandgap changes, charge transfer, and high sensitivity. Additionally, octagonal Al₂₄N₂₄showed potential as a ϕ-type glucose sensor.

Este trabajo examina las características estructurales y eléctricas de nanoagrupaciones de Al₂₄N₂₄ virgen y Al₂₃N₂₄ dopado con X (X = Co, Ni o Si) en su interacción con moléculas de α-D-glucosa. Utilizando métodos computacionales B3LYP/6-311+G(d,p), examinamos las geometrías óptimas, las energías de enlace, las energías de cohesión y las propiedades eléctricas de estas nanoagrupaciones. Nuestros resultados indican que SiAl₂₃N₂₄ tiene la máxima energía de enlace, mientras que CoAl₂₃N₂₄ presenta solo una energía de enlace positiva marginal. Las energías de adsorción de glucosa en estas nanoagrupaciones sugieren un mecanismo de quimisorción. El estudio encontró que SiAl₂₃N₂₄ hexagonal y NiAl₂₃N₂₄ tetraédrico exhibieron las características más prometedoras para la detección de glucosa debido a cambios significativos de banda prohibida, transferencia de carga y alta sensibilidad. Además, Al₂₄N₂₄ octagonal mostró potencial como un sensor de glucosa de tipo ϕ.

Este trabalho examina as características estruturais e elétricas de nanoaglomerados virgens de Al₂₄N₂₄ e Al₂₃N₂₄ dopados com X (X = Co, Ni, Si) em relação à sua interação com moléculas de α-D-glicose. Utilizando métodos computacionais B3LYP/6-311+G(d,p), examinámos as geometrias ótimas, as energias de ligação, as energias coesivas e as propriedades elétricas destes nanoaglomerados. Os nossos resultados indicam que o SiAl₂₃N₂₄ apresenta a energia de ligação máxima, enquanto que o CoAl₂₃N₂₄ apresenta apenas uma energia de ligação positiva marginal. As energias de adsorção da glicose nestes nanoaglomerados sugerem um mecanismo de quimissorção. o estudo descobriu que o SiAl₂₃N₂₄ hexagonal e o NiAl₂₃N₂₄ tetraédrico exibiram as características mais promissoras para a deteção de glicose devido a alterações significativas no bandgap, transferência de carga e alta sensibilidade. Além disso, o Al₂₄N₂₄ octogonal apresentou potencial como sensor de glicose do tipo ϕ.

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Cómo citar

IEEE

[1]

M. Al-Anber y R. Hameed, «α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection», Rev. Colomb. Quim., vol. 53, n.º 2, pp. 19–28, jun. 2025.

ACM

[1]

Al-Anber, M. y Hameed, R. 2025. α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection. Revista Colombiana de Química. 53, 2 (jun. 2025), 19–28. DOI:https://doi.org/10.15446/rev.colomb.quim.v53n2.118870.

ACS

(1)

Al-Anber, M.; Hameed, R. α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection. Rev. Colomb. Quim. 2025, 53, 19-28.

APA

Al-Anber, M. & Hameed, R. (2025). α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection. Revista Colombiana de Química, 53(2), 19–28. https://doi.org/10.15446/rev.colomb.quim.v53n2.118870

ABNT

AL-ANBER, M.; HAMEED, R. α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection. Revista Colombiana de Química, [S. l.], v. 53, n. 2, p. 19–28, 2025. DOI: 10.15446/rev.colomb.quim.v53n2.118870. Disponível em: https://revistas.unal.edu.co/index.php/rcolquim/article/view/118870. Acesso em: 24 dic. 2025.

Chicago

Al-Anber, Mohanned, y Rasha Hameed. 2025. «α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection». Revista Colombiana De Química 53 (2):19-28. https://doi.org/10.15446/rev.colomb.quim.v53n2.118870.

Harvard

Al-Anber, M. y Hameed, R. (2025) «α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection», Revista Colombiana de Química, 53(2), pp. 19–28. doi: 10.15446/rev.colomb.quim.v53n2.118870.

MLA

Al-Anber, M., y R. Hameed. «α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection». Revista Colombiana de Química, vol. 53, n.º 2, junio de 2025, pp. 19-28, doi:10.15446/rev.colomb.quim.v53n2.118870.

Turabian

Al-Anber, Mohanned, y Rasha Hameed. «α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection». Revista Colombiana de Química 53, no. 2 (junio 4, 2025): 19–28. Accedido diciembre 24, 2025. https://revistas.unal.edu.co/index.php/rcolquim/article/view/118870.

Vancouver

1.

Al-Anber M, Hameed R. α-D-Glucose Adsorption on Al24N24 and Transition Metal-Doped Al23N24 Nanoclusters: New Insights for Biodetection. Rev. Colomb. Quim. [Internet]. 4 de junio de 2025 [citado 24 de diciembre de 2025];53(2):19-28. Disponible en: https://revistas.unal.edu.co/index.php/rcolquim/article/view/118870

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