Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles-Reference-Cited by-同舟云学术

Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles

Published:2023 Issue:17 Volume:15 Page:7909-7919
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Motta Stefano¹^ORCID,Siani Paulo²^ORCID,Donadoni Edoardo²^ORCID,Frigerio Giulia²^ORCID,Bonati Laura¹^ORCID,Di Valentin Cristiana²³^ORCID

Affiliation:

1. Dipartimento di Scienze dell'Ambiente e del Territorio, Università di Milano Bicocca, Piazza della Scienza 1, 20126 Milano, Italy

2. Dipartimento di Scienza dei Materiali, Università di Milano Bicocca, via R. Cozzi 55, 20125 Milano, Italy

3. BioNanoMedicine Center NANOMIB, University of Milano-Bicocca, Italy

Abstract

A metadynamics study unravels the pH-triggered release mechanism and binding energy of the doxorubicin drug to TiO2 nanoparticles functionalized with TETT ligands.

Funder

Università degli Studi di Milano-Bicocca

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NR/D3NR00397C

Reference89 articles.

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5. C. P.Sharma , Drug delivery nanosystems for biomedical applications , Elsevier , 2018

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