Sharif Digital Repository

Lipoproteins are biochemical compounds containing both proteins and lipids. These particles carry chemicals like cholesterol and triglycerides that are not soluble in aqueous solutions. This paper presents modeling of lipoprotein system using coarse grain molecular dynamics technique and stability analysis of this system in a water solution like blood. A high density lipoprotein (HDL) that consists of two annular monomers is modeled. Also there are lipid bilayers located in center of the rings, so the whole HDL and lipid bilayers are called lipoprotein system. First, all atom model is provided and then coarse-grain model is obtained using MARTINI technique. Modeling of the system in all atom... 

The Fontan surgery is performed on patients with a single ventricle heart defect to prevent the combination of highlyoxygenated and poorly-oxygenated blood. Blood flow in total cavopulmonary connection (TCPC) which culminates an ordinary Fontan operation is practically steady-state but this flow is not appropriate for respiratory systems. This article investigates an approach in Fontan surgery that has been recently proposed in order to make the pulmonary blood flow pulsating. Moreover, for investigating the compliance of vessels and its effects on blood flow in TCPC, we have used the FSI (Fluid Structure Interaction) method as well as rigid wall assumption for comparison purposes. Our TCPC... 

A non-terminated, low molecular weight, highly crystalline, linear aliphatic polyester was successfully synthesized via ester-interchange polycondensation of cis-2-butene-1,4-diol and diethyl oxalate by using of lead (II) oxide as the catalyst. No decarboxylation occurred during the optimized polymerization. Structural and Chemical identification was performed by elemental analysis, FTIR, 'H-NMR, and Mass spectroscopy. Some macrocyle species were detected in the product, according to GPC. Fragmentation patterns were suggested for the main m/e's of the mass spectrum. Thermal characterization was performed by DSC and TGA. It was found that the overall thermal stability of the polyester is... 

Polyacrylonitrile (PAN) was grafted onto carboxymethyl cellulose (CMC) sodium salt backbones by using cerie ammonium nitrate (CAN) as an initiator. The graft co-polymer, CMC-g-PAN, was hydrolyzed by NaOH solution to yield hydrogel, H-CMC-g-PAN. The nitrile groups of CMC-g-PAN were completely converted to a mixture of hydrophilic carboxamide and carboxylate groups during alkaline hydrolysis, followed by in situ crosslinking of the grafted PAN chains. The structure of the products was confirmed by FTIR spectroscopy. The synthetic parameters affecting the swelling capacity of the hydrogel (i.e., CMC-g-PAN add-on value, the hydrolysis time and temperature, and concentration of NaOH) were... 

The major source of energy is fossil fuels, known as hydrocarbon containing C and H as the main elements. The heat generated from combustion of these fuels is used in power generation cycles to generate electricity. Main products of a hydrocarbon combustion reaction are water and carbon dioxide, but due to some reasons such as excessive temperature and inappropriate air-fuel mixing, always some pollutants are formed. One of the major concerns of recent years are NOx pollutants, which is mostly generated in the high temperature combustions. According to the geographical and economic issues, most countries are using coal as fuel and many researches have been conducted about pollutant formation... 

Alcohol-specific superabsorbing gels (superalcogels) based on non-neutralized acrylic acid (AA, 60-94 mol%) and 2-acrylamido-2-methylpropane sulfonic acid (AMPS) were prepared via solution polymerization in water. Polyethylene glycol dimethacrylate and potassium persulfate were used as crosslinker and initiator, respectively. Characterization of samples was performed using FTIR, 1H-NMR and thermomechanical analyses. Glass transition temperature and modulus of dried samples were found to be directly changed with their AA content. The gels exhibited enormous ability for absorbing and retaining a variety of mono- and poly-hydric alcohols. For example, in lieu of one gram of a typical sample... 

As the first part of a continued research on conversion of carboxymethyl cellulosesodium salt (CMC) to useful biopolymer-based materials, large numbers of cyanide functional groups were introduced onto CMC by grafting with polyacrylonitrile (PAN). The graft copolymerization reactions were carried out under nitrogen atmosphere using ceric ammonium nitrate (CAN) as an initiator. Evidence of grafting was obtained by comparing FTIR spectra of CMC and the graft copolymer as well as solubility characteristics of the products. The synthetic conditions were systematically optimized through studying the effective factors including temperature and concentrations of initiator, acrylonitrile monomer,... 

Computer calculation of photonic band structure for unit cells of various symmetry in the two-dimensional square lattice suggests that the bandgap calculated by traversing the ΓXM triangle in k-space is only reliable when the unit cell is C4v symmetric. For structures of lower symmetry, examining a two-dimensional subset of the first Brillouin zone will give smaller bandgaps  

In this paper we developed a new mathematical model for the flow inside cascade impactors and via this simplified model, we determined the particle size distribution by a fast and low cost computational method. Using cascade impactors for determining the particle size distribution, one can use comprehensive CFD methods to fully simulate the particle traces. Although the results from those CFD analyses can be very accurate, usually that is not a time and cost efficient routine. In contrast, we showed that by using our proposed calculation we can estimate the particle size distribution very fast and yet with the slight error -comparing to the results from CFD method. Cascade impactors are... 

Novel hydrogels based on zwitterionic monomer [3-(methacrylamido)propyl] dimethyl (3-sulfopropyl) ammonium hydroxide (MPDSAH) and a strong acid monomer (2-acrylamido-2-methylpropane sulfonic acid, AMPS) were synthesized through solution polymerization under normal conditions to achieve nearly quantitative gel yield. The structure of the gels was confirmed using infrared spectroscopy. Thermal properties were simultaneously studied by differential scanning calorimetry and thermogravimetric analysis (DSC/TGA). The effects of the polymerization variables on the swelling capacity of the products were investigated. It was found that, in a certain range of the monomers mol ratio, increase of AMPS... 

Carboxymethylcellulose sodium salt (CMC) was doubly modified to prepare a novel poly(acrylamidoxime) chelating resin. Acrylonitrile was firstly graft polymerized onto CMC using cerium ammonium nitrate as an initiator. The polyacrylonitrile (PAN) grafted CMC was then amidoximized via treatment with hydroxylamine to prepare the ion exchange resin. The sorption capacity of the resin towards bivalent metal ions was evaluated while varying the pH, the loading of the PAN and the initial metal ion concentration. The adsorption kinetics were investigated for the cupric ion. The chelating resin exhibited very high metal sorption capacity in comparison with either synthetic or polysaccharide-based... 

Chitosan was modified with polyacrylonitrile (PAN) through ceric-initiated graft copolymerization. The chitosan-g-PAN product was saponified using sodium hydroxide aqueous solution to prepare a novel superabsorbent hydrogel, H-chitoPAN. Duration of completing the saponification reaction as well as the water absorbency capacity of the hydrogel was decreased with increasing the alkaline concentration. Either chitosan-g-PAN or H-chitoPAN was characterized by FTIR spectroscopy and DSC, TGA, and DTG thermal methods. According to FTIR, all the nitrile groups were converted to carboxylate and carboxamide groups. Both modified chitosans exhibited enhanced thermal stability over chitosan. The... 

This article reviews the oil-soluble polymeric drag-reducing agents (DRAs) with an outlook to their large-scale application in petroleum industry. A general discussion on mechanism of the DR phenomenon and mechanical degradation of the drag reducers in turbulent flow is offered with an emphasis on the molecular parameters. Furthermore, low charge density associating polymers, as a new class of oil-soluble flow improvers, are described  

Tetraphenylthiophene diamine (TPTDA) was prepared through a modified three-step route to achieve an improved overall yield. TPTDA reacted with succinic, adipic, suberic, sebasic, and fumaric acids via the Yamazaki phosphorylation method to yield novel partially aromatic polyamides (TPT series). A counterpart polyamide series based on p-phenylene diamine (Ph series) was also synthesized under the same conditions. All of the polymers were characterized by means of spectrochemical (Fourier transform infrared spectroscopy, 1H-nuclear magnetic resonance (NMR), and 13C-NMR) and thermal (differential scanning calorimetry and thermogravimetric) methods of analysis. Solubility of TPT polyamides was... 

Polyacrylonitrile (PAN) grafted chitosan was prepared by ceric-initiated graft polymerization of acrylonitrile onto chitosan in a homogenous medium. The copolymer chitosan-g-PAN product was then hydrolyzed to yield a novel smart hydrogel (H-chitoPAN) with superabsorbing properties. The influence of add-on values as well as temperature and time of hydrolysis of the initial chitosan-g-PAN on swelling behavior of the hydrogel was evaluated in water and various salt solutions. The swelling kinetics of the superabsorbing hydrogel was studied as well. The hydrogels exhibited ampholytic and pH-sensitivity characteristics. Several sharp swelling changes were observed in lieu of pH variations in a... 

Acrylonitrile (AN) was grafted onto various natural and modified polysaccharides (i.e., gum arabic, gum tragacanth, xanthan gum, sodium alginate, chitosan, sodium carboxymethyl cellulose, hydroxyethyl cellulose, methyl cellulose) by using ceric-carbohydrate redox initiating system. After overcoming practical problems, mainly from the high viscosity of the aqueous solutions of the different substrates, the graft copolymerization reactions were run either in air or in N2 atmosphere under similar conditions. Grafting was confirmed using chemical and spectral (FTIR) proofs. The reactions were kinetically investigated using semi-empirical expressions and time-temperature profiles. An anomalous... 

Monomer grafting, a unique technique for polysaccharide modification, is always performed under inert (e.g., N2) atmosphere. This work is the first report related to evaluating the possibility and efficiency of the grafting of acrylonitrile (AN) onto starch in presence of oxygen. Thus, corn starch (in both granular and gelatinized states) as well as soluble starch were grafted by AN using a ceric-carbohydrate redox initiating system. Graft copolymerizations were performed under nitrogen, air, and oxygen atmospheres at similar conditions. Grafting occurrence was verified using chemical and spectral proofs. The polymerization mechanism and kinetics were investigated by recording the... 

Various natural and modified polysaccharides (i.e. arabic gum, tragacanth gum, xanthan gum, sodium alginate, chitosan, sodium carboxymethyl cellulose, hydroxyethyl cellulose, methyl cellulose) were modified using cericinitiated graft polymerization of acrylonitrile under inert atmosphere. Grafting was confirmed using spectral (FT-IR) proofs. The grafting parameters were determined by conventional methods. Thermal characteristics of the homopolymer-free copolymers were studied using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) under nitrogen atmosphere. The major thermal transitions as well as the activation energy of the major decomposition stages were... 

Two series of alkali hydrolyzed starch-g-polyacrylonitrile (H-SPAN) superabsorbents were prepared from granular and gelatinized corn starches. The grafting parameters of SPAN copolymers were determined and the polymers were analyzed by FTIR spectroscopy. A combination of three influencing factors (i.e. thermal pre-treatment of the initial starch, presence or absence of oxygen in the stage of ceric-initiated PAN grafting, and neutralization after alkali treatment) on swelling characteristics of the final hydrogel was evaluated in a practical viewpoint. The superabsorbents were discriminated according to their swelling behavior in water and different aqueous salt solutions. The swelling... 

Roadmapping, a tool of strategic planning, visualize where and how an organization will be in the future. Visualization of strategic programs assists people in the organization to understand the strategy which is a key for implementing strategy successfully. A generic roadmap is included of three main layers such as; market, product and technology. Decision making in each layer are done separately because of the nature of each layer. Therefore, decisions in roadmapping can be done with different tools. Whiles, decisions in each layer of the roadmap cannot be done without considering the upper or lower layer decisions. In this study we propose Fuzzy PROMETHEE method for integrating decisions...