Sharif Digital Repository

High Density Lipoprotein (HDL) is a lipid-protein complex responsible for transporting cholesterol and triglyceride molecules, as these compounds are unable to dissolve in aqueous environments such as a bloodstream. Among the most well-known possible structures, the belt-like structure is the most common shape proposed for this vital bimolecular complex. In this structure, the protein scaffold encompasses the lipid bilayer and a planar circular structure is formed. Several HDL simulations with embedded components in the lipid section were performed. Here, we applied a series of molecular dynamic simulations using the MARTINI coarse grain force field to investigate an HDL model, with pores of... 

Gold (Au) nanoparticles are widely used in diagnosing cancer, imaging, and identification of therapeutic methods due to their particular quantum characteristics. This research presents different types of aqueous models and potentials used in TIP3P, to study the effect of the particle size and density of Au clusters in aquatic environments; so it can be useful to facilitate future investigation of the interaction of proteins with Au nanoparticles. The EAM potential is used to model the structure of gold clusters. It is observed that in the systems with identical gold/water density and different cluster radii, gold particles are distributed in aqueous environment almost identically. Thus, Au... 

Nanodiamond particles, basically those produced by detonation method, are acquiring progressive attraction in different fields such as material, biomedical, and environmental engineering. Aqueous environments are usually dealt with at different stages of preparation, preservation, and application of these particles. The aim of this article is to perform a systematic first-principles density functional theory analysis on the interaction of C35 ultrasmall octahedral nanodiamond and its full homogeneous carboxylated and aminated forms, with water derived specie, namely, neutral, protonated, and deprotonated water and (H2O)20 water cluster. The effect of solvent media on the interactions has... 

The present study has reported an optimized fabrication and application of a novel PVA/TEOS/Schiff base nanofibers membrane as a highly sensitive copper (II) ions in aqueous environment. Here in, for first time, an ultrasound-assisted synthesized symmetric Schiff base has been immobilized on a hybrid polyvinyl alcohol (PVA) and TEOS using electrospinning technique for detection and filtration of copper ions. For this purpose, various working parameters were evaluated and finally the optimized nano fibers membrane was synthesized with 72 nm thickness and PVA/TEOS/Schiff base ratio of (wt%) 8:6:1. The optimized sample named PTLNFM has been employed successfully as an ultra sensitive... 

In the present research, NiO–SDC (Samarium doped Ceria) nanopowder was synthesized through sol–gel combustion method using citric acid as a reducing agent (fuel) and metal nitrates as an oxidant. The characteristics of the synthesized powder were thoroughly analyzed by DTA/TG, XRD, BET and FESEM/EDX. Tubular gel-casted porous specimens of NiO–SDC (50:50 wt%) composite materials were produced after stabilizing suspensions of composite powder in an aqueous environment by addition of 3 wt% dispersant and 2.5 wt% agar as the gel builder. The effect of Dolapix CE64 as a dispersant, agar as a gel-builder and the amount of solid loadings on the processing and properties of porous ceramics was...