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Updated: Feb 3, 2026

Surface Properties of Synthesized Nanoporous Carbon and Silica Matrices
Published on: March 27, 2019
Diffusion of cisplatin molecules in silica nanopores: Molecular dynamics study of a targeted drug delivery system
Marjan A Nejad1, Herbert M Urbassek1
1Fachbereich Physik und Forschungszentrum OPTIMAS, Universität Kaiserslautern, Erwin-Schrödinger-Straße, D-67663, Kaiserslautern, Germany.
Abstract:
The diffusion and adsorption behavior of cisplatin in silica nanopores is investigated using molecular dynamics simulation. Two different silica conformations are studied in order to characterize the influence of surface polarity and inner pore wall structure. Acceleration techniques are used in order to sample adsorption phase space efficiently. We find a strong influence of the pore diameter on the diffusion coefficient; only for pore diameters larger than roughly 1.6 nm, cisplatin assumes a comparable diffusion coefficient as in bulk water. Our results also allow to estimate escape times of cisplatin from a silica nanopore.
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