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May 29, 2026Materials Advances3 citationsOpen Access

DFT insights into heteroatom-doped C 60 nanocages as potential drug carriers for lorazepam

MSMariam M. SeliemMAMohamed M. AboelngaEEElsayed El-Bayoumy

Key Points

  • This research aims to evaluate the effectiveness of Si- and Ge-doped fullerene nanocages in improving drug delivery for lorazepam.
  • Performed DFT calculations to analyze adsorption and charge transfer properties.
  • Investigated stability of doped nanocages in aqueous media.
  • Si- and Ge-doped fullerene nanocages significantly enhance lorazepam adsorption.
  • Charge transfer increases in the presence of dopants, improving drug delivery capabilities.
  • Stability of drug carriers is observed to be superior in aqueous conditions.

Abstract

DFT calculations show that Si- and Ge-doped fullerene nanocages enhance lorazepam adsorption, charge transfer, and stability in aqueous media, highlighting their potential as efficient nanocarriers for controlled drug delivery applications.

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Cite This Study

Seliem et al. (2026) studied this question.

synapsesocial.com/papers/6a192de6fab5b468c4416d2chttps://doi.org/10.1039/d6ma00154h
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