Al- and Ga-doped graphitic carbon nitride as a temozolomide nanocarrier platform: a DFT study of adsorption and interfacial interactions.

Maisha Yousuf, Mohammed Sakib Musa, Arafat Mahamud Bhuiyan, Monir Uzzaman, Md Moazzam Hossain, Kamol Dey

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Article in Nanoscale advances, 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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6 authors.

Maisha YousufDepartment of Applied Chemistry and Chemical Engineering, University of Chittagong Chittagong 4331 Bangladesh mohammedsakibmusa@gmail.com kamoldey@cu.ac.bd.ORCID https://orcid.org/0009-0001-1282-1944

Mohammed Sakib MusaDepartment of Applied Chemistry and Chemical Engineering, University of Chittagong Chittagong 4331 Bangladesh mohammedsakibmusa@gmail.com kamoldey@cu.ac.bd.ORCID https://orcid.org/0009-0006-9892-6793

Arafat Mahamud BhuiyanDepartment of Chemistry, Bangladesh University of Engineering and Technology Dhaka 1000 Bangladesh.ORCID https://orcid.org/0000-0002-7560-703X

Monir UzzamanDepartment of Applied Chemistry, Graduate School of Engineering, Mie University Tsu Mie 514-8507 Japan monircu92@gmail.com.ORCID https://orcid.org/0000-0002-6887-9344

Md Moazzam HossainDepartment of Applied Chemistry and Chemical Engineering, University of Chittagong Chittagong 4331 Bangladesh mohammedsakibmusa@gmail.com kamoldey@cu.ac.bd.

Kamol DeyDepartment of Applied Chemistry and Chemical Engineering, University of Chittagong Chittagong 4331 Bangladesh mohammedsakibmusa@gmail.com kamoldey@cu.ac.bd.

Funding

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6 · The paper itself

Abstract

The rapid degradation and limited tumor accumulation of temozolomide (TMZ) remain important challenges in glioblastoma chemotherapy, motivating the development of nanocarrier systems that can improve TMZ retention and delivery. This study employed density functional theory (DFT) to evaluate the adsorption potential of two-dimensional graphitic carbon nitride (gCN) and its Al/Ga-doped variants (gCN-Al and gCN-Ga) as nanocarriers for TMZ delivery. A comprehensive analysis, including the electronic structure, natural bond orbital, quantum theory of atoms-in-molecules, and noncovalent interaction analyses, revealed that TMZ adsorbs onto the nanocarriers

Identifiers

PMID42326614

DOI10.1039/d6na00001k

PMCPMC13277665

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LicenceCC BY

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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 Socratic graph.