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Publications
Publications (12)
A facile procedure has been devised to develop a novel dentin bonding system containing poly (acrylic acid)-grafted-silanized fumed silica particles as reinforcing filler, with high stability of nanoparticle dispersion and enhanced bond strength and mechanical properties. In the first step, the silanization of fumed silica nanoparticles was perform...
Chitosan (CS) and polyethylene glycol (PEG) nanocomposite systems containing SiO2 nanoparticles and water molecules were designed by molecular dynamics (MD) simulations to deliver pipobromane (PIP) anticancer drug in order to discover more appropriate drug delivery system (DDS) in aqueous medium which was analogous to the human body. The CS system...
Molecular dynamics (MD) simulations were accomplished on polycaprolactone (PCL) nanocomposite systems composed of hydroxyapatite (HA) nanoparticles (0 and 2%) to deliver ifosfamide (IF) anticancer drug in order to achieve the most suitable drug delivery system (DDS). Smaller inter-chain distances measured for the PCL-HA2-IF established that greater...
Several chitosan (CS) drug delivery systems (DDSs) were designed by molecular dynamics (MD) simulations. The systems were composed of pure graphene (G), P-doped (GP) or N-doped (GN) graphene nanosheets for the anticancer drug cyclophosphamide (CP) with the aim of discovering the most appropriate drug carrier. Furthermore, the temperature influence...
Biocompatible nanocomposite films based on chitosan (CS) and polyethylene glycol (PEG) polymers containing cephalexin (CFX) antibiotic drug and zeolitic imidazolate framework-8 (ZIF-8) nanoparticles (NPs) were designed and fabricated to develop wound dressing materials capable of controlled drug release. Swelling experiment was performed in three a...
Molecular dynamics (MD) simulations were accomplished on polycaprolactone (PCL) nanocomposite systems composed of hydroxyapatite (HA) nanoparticles (0–4%) to deliver ifosfamide (IF) anticancer drug in order to achieve the most suitable drug delivery system (DDS). It was shown that the free volume (FV) was the greatest for the PCL-HA2-IF whereas the...
The capacity of chitosan (CS) nanocomposite systems containing graphene (G), N-doped graphene (GN) or P-doped graphene (GP) nanoparticles for the delivery of ifosfamide (IF) anticancer drug was examined by means of molecular dynamics (MD) simulations in order to find the most suitable drug delivery system (DDS). Moreover, the effect of temperature...
Chitosan (CS), the second most plentiful natural polysaccharide next to cellulose, has valuable characteristics including biocompatibility, nontoxicity and biodegradability. CS is broken down in the human body to innocuous products (amino sugars). Hydrogels are polymeric materials with three dimensional networks retaining a huge quantity of water w...
The effect of SiO2 nanoparticles on the efficiency of polydimethylsiloxane membranes to separate n-octane from benzothiophene was investigated using molecular dynamics simulations. The non-bond energies were more negative (by ∼ 4000 kcal/mol) compared with their corresponding potential energies. Further, adding 2–10 vol% silica particles to the mem...
The purpose of this study is to investigate effect of reaction conditions on the silanization of montmorillonite nanoparticles using methacryloxypropyltrimethoxysilane (γ–MPS) and to establish relationships between the reaction conditions, the grafting percentage and the silane arrangement on the particles. The silanization reaction was performed i...
The study provides insights into the silanisation process of sepiolite nanoparticles. The nanoparticles were modified applying acidic and basic silanisation methods using Methacryloxypropyltrimethoxysilane (γ-MPS) as coupling agent. The silanisation reaction was performed in the following conditions: (1) acidic ethanol–water solution with a pH of 5...
Molecular dynamics (MD) simulations were performed at 298.15 K and 1 atm in order to study microstructure and transport behaviors of polydimethylsiloxane (PDMS) membranes containing 0%–8% SiO2 nanoparticles used for the separation of thiophene from n-octane. It was found that the fractional free volume (FFV) of 0% SiO2 was the highest (47.24%) amon...
