Self-assembling, reactivity and molecular dynamics of fullerenol nanoparticles. Issue 1 (1st December 2016)

• Record Type: Journal Article
• Authors: Vraneš, Milan; Borišev, Ivana; Tot, Aleksandar; Armaković, Stevan; Armaković, Sanja; Jović, Danica; Gadžurić, Slobodan; Djordjevic, Aleksandar
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 1(2017)
• Page Start: 135
• Page End: 144
• Publication Date: 2016-12-01
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c6cp06847b
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Fullerenol nanoparticles show intriguing behaviour concerning their self-assembling at different temperatures and concentrations and as such are promising potential agents for nanodrug delivery. Abstract : In this work structuring of water and insight into intermolecular interactions between water and fullerenol are studied throughout the process of forming nanoagglomerates at different temperatures applying both experimental and computational approaches. The obtained fullerenol nanoparticles (FNPs) are firstly characterized using dynamic light scattering, atomic force microscopy and transmission electron microscopy. The density, electrical conductivity and dynamic viscosity of aqueous fullerenol solutions are measured in the temperature range of 293.15 to 315.15 K. From the experimental density results other important thermodynamic values, such as apparent molar volumes and the partial molar volumes of water and fullerenol, are also calculated. To support the conclusion derived from the experimental density and calculated volumetric parameters, and to better understand the nature of the interactions with water, molecular dynamics simulations and radial distribution functions are also employed.