Sharif Digital Repository

The critical micelle concentration (CMC) of a set of 58 alkylsulfates, alkylsulfonates, alkyltrimethyl ammonium and alkylpyridinium salts were predicted using an artificial neural network (ANN). The multiple linear regression (MLR) technique was used to select the important descriptors that act as inputs for artificial neural network. These descriptors are Balaban index, heat of formation, maximum distance between the atoms in the molecule, Randic index and volume of the molecule. Designed artificial neural network is a fully connected back-propagation network that has a 5-5-1 architecture. The results obtained using neural network were compared with those obtained using MLR technique.... 

Background: Smart stimulus-responsive nanocarriers represent a rapidly growing class of drug-delivery systems for cancer and other diseases. Objective: The alterations of redox potential between the intracellular environment and the extracellular space have been widely utilized as a trigger for delivery of therapeutic agents by smart stimulus-responsive nanocarriers. We set out to review the scientific literature. Method: Published papers between 1980 and the present day were surveyed. Results: The advantages of redox-activated smart delivery of drugs, genes, and imaging agents include: the amplitude of the redox-responsive signal; the simple chemical features needed to trigger the... 

Throughout the world, cancer is one of the main causes of mortality, threatening the public health in many countries. As a result, cancer therapy researchers are paying increasing attention to biocompatible targeted drug delivery systems. Nanocarriers and co-delivery of active drugs is emerging as an essential research field for improving therapeutic efficiency. Although nutraceuticals are now being used to prevent and treat chronic illnesses such as cancers, some have shown limitations concerning solubility, bioavailability, and biodegradability. This review explores different types of nanostructures that can be used as drug delivery systems for curcumin, a biologically active polyphenol... 

New achievements in the realm of nanoscience and innovative techniques of nanomedicine have moved micro/nanoparticles (MNPs) to the point of becoming actually useful for practical applications in the near future. Various differences between the extracellular and intracellular environments of cancerous and normal cells and the particular characteristics of tumors such as physicochemical properties, neovasculature, elasticity, surface electrical charge, and pH have motivated the design and fabrication of inventive "smart" MNPs for stimulus-responsive controlled drug release. These novel MNPs can be tailored to be responsive to pH variations, redox potential, enzymatic activation, thermal... 

The CMC of a set of51 alkylpolyoxyethylene glycol ethers, R(EO)(m), and alkylphenol (ethylene oxide) ethers, RΦ(EO)(m), was related to topological, electronic and molecular structure parameters using a stepwise regression method. In development of the models linear and quadratic terms were used without the use of cross terms. Different strategies including Akaike Information Criterion (AIC) were used for choosing the best model. Specification of the best model in agreement with the experiment indicates that volume of the hydrophobic group and surface area of the molecule play a major role in the mechanism of micellization of nonionic surfactants. It was demonstrated that the CMC of these... 

In this work, a new type of flooding system, "worm-like micelles", in enhanced heavy oil recovery (EOR) has been introduced. Application of these types of surfactants, because of their intriguing and surprising behaviour, is attractive for EOR studies. Fundamental understanding of the sweep efficiencies as well as displacement mechanisms of this flooding system in heterogeneous systems especially for heavy oils remains a topic of debate in the literature. Worm-like micellar surfactant solutions are made up of highly flexible cylindrical aggregates. Such micellar solutions display high surface activity and high viscoelasticity, making them attractive in practical applications for EOR. In this... 

The bacterial strain MJ01 was isolated from stock tank water of one of the Iranian south oil field production facilities. The 16S rRNA gene of isolate, MJ01, showed 99% similarity to Bacillus subtilis. The results revealed that biosurfactant produced by this strain was lipopeptide-like surfactin based on FTIR analysis. Critical micelle concentration of produced surfactin in distilled water was 0.06 g/l. Wettability study showed that at zero salinity surfactin can change original oil-wet state to water-wet state, but in seawater salinity it cannot modify the wettability significantly. To utilize this biosurfactant in ex situ MEOR process, economical and reservoir engineering technical... 

Computer-assisted methods were employed to develop a statistical relationship between molecular-based structural parameters and log critical micelle concentration (CMC) of some anionic surfactants. The CMC of 31 alkyl sulfates and alkanesulfonates were used for model generation. Among different models, two equations were selected as the best, and their specifications are given. The statistics of these models together with cross-validation results indicate the capability of both models to predict the CMC of anionic surfactants. Three descriptors of Wiener number, reciprocal of the dipole moment, and reciprocal of the Randic index appear in the models. Results indicate that topological... 

Nowadays, as the oil reservoirs reaching their half-life, using enhanced oil recovery methods is more necessary and more common. Simulations are the synthetic process of real systems. In this study, simulation of water and surfactant injection into a porous media containing oil (two-phase) was performed using the computational fluid dynamics method on the image of a real micro-model. Also, the selected anionic surfactant is sodium dodecyl sulfate, which is more effective in sand reservoirs. The effect of using surfactant depends on its concentration. This dependence on concentration in using injection compounds is referred to as critical micelle concentration (CMC). In this study, an... 

The critical micelle concentration (CMC) of a set of 30 alkyltrimethylammonium [RN+(R′)3X-] and alkylpyridinium salts [RN+φX-] was related to topological, electronic, and molecular structure parameters using a stepwise regression method. Among different models obtained, two equations were selected as the best and their specifications are given. The statistics for these models together with the crossvalidation results indicate the capability of both models to predict the CMC of cationic surfactants. The results obtained for alkyltrimethylammonium salts indicate that geometric characteristics such as volume of the tail of the molecule, maximum distance between the atoms, and surface area play... 

Effects of initiator and surfactant concentrations and temperature on styrene conversion and polymer particle size distribution (PSD) in a batch emulsion polymerization are investigated through simulation and experimental studies. The detailed model based on population balance (zero-one model), accounting for nucleation, growth and coagulation phenomena has been used for prediction of particle size distribution. In checking the effect of initiator concentration on final PSD, it was noticed that when critical micelle concentration (CMC) is kept constant, the model cannot predict PSD very well. Thus, a correlation for calculating critical micelle concentration has been proposed and... 

Magnetic micelle nanoparticles with thermoresponsive behavior were designed for thermo-triggered paclitaxel delivery. For this purpose, thermoresponsive triblock copolymer poly(N-isopropyl acrylamide)-b-polycaprolactone-b-poly(N-isopropyl acrylamide) was prepared. The magnetic micelle was formed by self-assembly of triblock copolymer on the magnetite which was coated by oleic acid. The size of the magnetic micelle was between 30–40 nm reported by transmission electron microscopy. Also, dynamic light scattering indicated the hydrodynamic diameter was thermal dependent. Moreover, the drug release profile showed thermo-triggered release of paclitaxel. Thus, the smart nanocarrier has potential... 

Magnetic micelle nanoparticles with thermoresponsive behavior were designed for thermo-triggered paclitaxel delivery. For this purpose, thermoresponsive triblock copolymer poly(N-isopropyl acrylamide)-b-polycaprolactone-b-poly(N-isopropyl acrylamide) was prepared. The magnetic micelle was formed by self-assembly of triblock copolymer on the magnetite which was coated by oleic acid. The size of the magnetic micelle was between 30–40 nm reported by transmission electron microscopy. Also, dynamic light scattering indicated the hydrodynamic diameter was thermal dependent. Moreover, the drug release profile showed thermo-triggered release of paclitaxel. Thus, the smart nanocarrier has potential... 

A fundamental chemical enhanced oil recovery (EOR) process is surfactant flooding in which the key mechanism is to reduce interfacial tension between oil and the displacing fluid and hence mobilizing the trapped oil. Surfactant loss by adsorption is one of the most important criteria that governs the economics of the surfactant flooding methods. In addition to this, detrimental effects and high price of currently used surfactants cause EOR process so expensive and unfeasible. This study is aimed to introduce a novel kind of plant based surfactant which is extracted from Zizyphus Spina-Christi tree. In addition, equilibrium adsorption behavior of this novel biosurfactant in aqueous solution... 

In this paper, the well-known effective medium approximation (EMA) and coupled dipole approximation (CDA) methods are employed to study the optical properties of a metal nanoparticle-block copolymer (MNP-BCP) nanocomposite. This approach is applied to study a system consisting of small gold spherical nanoparticles randomly distributed in the cylindrical micelles of a di-BCP. At first, the EMA method is used to obtain the effective dielectric function of a semi-metallic cylinder. Then, the extinction spectrum of the hexagonal 2D-array of semi-metallic cylinders is obtained by the CDA method. This procedure makes it possible to study simultaneously both the electromagnetic extinction of MNPs...