Sharif Digital Repository

Nowadays, with the advent of cutting-edge technologies in the field of biotechnology, some highly advanced medical methods are introduced to treat cancers more efficiently. In the chemotherapy processes, anti-cancer drugs can be encapsulated in a stimuli-responsive coating which is capable of being functionalized by diverse ligands to increase the biocompatibility and control drug release behavior in a targeted drug delivery system. Nanoparticles (NPs) are playing an important role as nanocarriers in chemotherapy procedures, recently, numerous novel drug delivery systems have been studied which employed diverse types of NPs with remarkable structural features like porous nanocarriers with... 

Gas phase amino proton chemical shifts in the 54 of amines have been predicted using Gauge-independent atomic orbital (GIAO) method and optimally selected wave function. The effects of electron correlation, triple-ξ valance shell, diffuse function, and polarization function on calculated amino proton chemical shifts have been investigated using factorial design as a multivariate technique. Different optimized wave functions for different groups of amines were recommended. A wave function as the best level of the theory is proposed for homologue amines covered. In this context, B3LYP/6-311+G and HF/6-311+G wave functions have been recommended as the best and the most efficient level of theory... 

The present investigation examines geothermal and solar energy for electricity generation. The proposed cycle can generate electricity independently or jointly using geothermal and solar sources. Organic Rankine Cycles (ORCs) have been employed due to their positive effects, including improved efficiency, comprehensive performance and economic analysis, adaptability, and the benefits of using ORCs with refrigerants in the hybrid power generation system. The proposed system is designed to include two evaporators, each working at distinct temperature levels, with one running at a high temperature and the other at a low temperature. Consequently, the system is outfitted with a pair of turbines... 

The wave functions for calculating 13C nuclear magnetic chemical shifts of 22 groups of organic compounds (64 molecules) in chloroform solution have been optimally selected using factorial design as a multivariate technique. Our own N-layered integrated molecular orbital and molecular mechanics approach was applied for molecules with different types of carbons. The results have obtained in very good agreement with the experimental values. An additional series (58 molecules) have been used as test sets and their results confirm the validity and reliability of the approaches. The total root mean square deviation and correlation coefficient of predictions (433 carbons) are 1.88 and .9994,... 

The wave functions for calculating gas phase 19F chemical shifts were optimally selected using the factorial design as a multivariate technique. The effects of electron correlation, triple-ξ valance shell, diffuse function, and polarization function on calculated 19F chemical shifts were discussed. It is shown that of the four factors, electron correlation and the polarization functions affect the results significantly. B3LYP/6-31 + G(df,p) wave functions have been proposed as the best and the most efficient level of theory for calculating 19F chemical shifts. An additional series of fluoro compounds were used as a test set and their predicted 19F chemical shifts values confirmed the... 

Solid state 13C and 15N chemical shifts of uracil and imidazole have been calculated using a 2-layer ONIOM approach at 32 levels of theory. The effect of electron correlation between two layers has been investigated by choosing two different kinds of layer selection. Factorial design has been applied as a multivariate technique to analyze the effect of wave function and layer selection on solid state 13C and 15N chemical shifts calculations. PBEPBE/6-311+G(d,p) was recommended as an optimally selected level of theory for high layer in both models. It is illustrated that considering the electron correlation of two layers of ONIOM models is important factor to calculate solid state 15N... 

The dependency of amino acid chemical shifts on φ and ψ torsion angle is, independently, studied using a five-residue fragment of ubiquitin and ONIOM(DFT:HF) approach. The variation of absolute deviation of 13Cα chemical shifts relative to φ dihedral angle is specifically dependent on secondary structure of protein not on amino acid type and fragment sequence. This dependency is observed neither on any of 13Cβ, and 1Hα chemical shifts nor on the variation of absolute deviation of 13Cα chemical shifts relative to ψ dihedral angle. The 13Cα absolute deviation chemical shifts (ADCC) plots are found as a suitable and simple tool to predict secondary structure of protein with no requirement of... 

Estate administration involves managing and distributing a deceased individual’s assets to beneficiaries, as well as managing the liabilities. This process comprises legal, financial, and administrative tasks that ensure assets are transferred based on the deceased's wishes and in accordance with the law. In Southeast Asia countries such as Indonesia, Malaysia and Brunei where Muslims represents the majority of population, the Islamic law plays an integral part in the inheritance management as the process to be in line with the Islamic teachings and principle. The role of the syariah authority namely the syariah courts is prevalent and therefore, abidance to the rule under the syariah legal... 

A novel intelligent semi-active control system for an eleven degrees of freedom passenger car's suspension system using magnetorheological (MR) damper with neuro-fuzzy (NF) control strategy to enhance desired suspension performance is proposed. In comparison with earlier studies, an improvement in problem modeling is made. The proposed method consists of two parts: a fuzzy control strategy to establish an efficient controller to improve ride comfort and road handling (RCH) and an inverse mapping model to estimate the force needed for a semi-active damper. The fuzzy logic rules are extracted based on Sugeno inference engine. The inverse mapping model is based on an artificial neural network... 

Using CNG as an additive for gasoline is a proper choice due to higher octane number of CNG enriched gasoline with respect to that of gasoline. As a result, it is possible to use gasoline with lower octane number in the engine. This would also mean the increase of compression ratio in SI engines resulting in higher performance and lower gasoline consumption. Over the years, the use of simulation codes to model the thermodynamic cycle of an internal combustion engine have developed tools for more efficient engine designs and fuel combustion. In this study, a thermodynamic cycle simulation of a conventional four-stroke spark-ignition engine has been developed. The model is used to study the... 

With the declining energy resources and increase of pollutant emissions, a great deal of efforts has been focused on the development of alternatives for fossil fuels. One of the promising alternative fuels to gasoline in the internal combustion engine is natural gas [1-5]. The application of natural gas in current internal combustion engines is realistic due to its many benefits. The higher thermal efficiency due to the higher octane value and lower exhaust emissions including CO2 as a result of the lower carbon to hydrogen ratio of the fuel are the two important feature of using CNG as an alternative fuel. It is well known that computer simulation codes are valuable economically as a cost... 

Gaining insight into possible vibratory responses of dynamical systems around their stable equilibria is an essential step, which must be taken before their design and application. The results of such a study can significantly help prevent instability in closed-loop stabilized systems by avoiding the excitation of the system in the neighborhood of its resonance. This paper investigates nonlinear oscillations of a rotary inverted pendulum (RIP) with a full-state feedback controller. Lagrange’s equations are employed to derive an accurate 2-DoF mathematical model, whose parameter values are extracted by both the measurement and 3D modeling of the real system components. Although the governing... 

A suction-controlled ring device has been developed to continuously measure the coefficient of lateral soil pressure in deformable unsaturated soil samples from the at-rest to the active condition under application of increasing vertical pressure and controlled matric suction. The device incorporates a thin aluminum specimen ring equipped with horizontal strain gages for recording the lateral soil strains. In addition, a sensor recording water volume changes is utilized to continuously monitor the degree of saturation of the soil sample during tests. The matric suction within the soil texture is controlled using the axis translation technique. In order to verify the performance of the ring... 

We introduce a new smooth, non-toxic, biocompatible method for cross-linking of gum tragacanth (GT), a polysaccharide of natural origin, in order to serve as a new supporting matrix for immobilization systems. The modified gum is used as a matrix for the catalysis of the conversion of benzyl penicillin to 6-aminopenicillanic acid (6-APA) by means of Escherichia coli ATCC11105 with penicillin G acylase (PGA) activity. The results show that GT beads can not only serve as a proper matrix for immobilization, but show enhanced hydrolysis rate and stability compared to other immobilization systems used for this reaction. This signifies the potential of GT as a biocompatible matrix for... 

The Class-E power amplifier has been widely studied and formulated in the literature. Although the majority of reported inductive coupling wireless power transfer (WPT) systems use a class-E power amplifier for driving the primary coil, still there is a lack of a comprehensive study on class-E circuit dedicated to WPT, providing a set of closed form design equations for proper class-E operation. This paper presents the required design equations needed to design a 'true' class-E circuit for WPT applications. Equations for the series-tuned secondary coil WPT system are presented, as well as two different design procedures for the parallel-tuned secondary coil. The derived equations have been... 

Pole Side Impact Tes is one out of three crash tests described by Euro NCAP standard for star rating of a vehicle and is required for assessing the Adult Occupant Protection. In this paper the goal is to determine the crashworthiness of side doors and B pillar in a Pole Side Impact Test based on Euro New Car Assessment Program (Euro-NCAP) using computer and simulation method. In this matter, a vehicle model has been prepared and meshed using Hypermesh and CATIA. The velocity of 29 km/h has been assigned to the vehicle which was on top of a cart while the pole has been assigned as a rigid static object based on Euro NCAP requirements specifically. Results show that different amounts of energy... 

To assess a car under the Euro New Car Assessment Program (Euro-NCAP), Adult Occupant Protection is one out of three parameters which need to be calculated with a weight factor of 50% while the other parameters, Child Occupant Protection and Pedestrian Occupant Protection, have a weight factor of 20%. The Pole Side Impact Test, beside two other tests, Side and Front Impact, is also required to calculate the Adult Occupant Protection. It shows how important the Pole Side Impact Test is and what an effective role it has in the car rating assessment. In this paper, the objective is to evaluate the effect of thickness on the energy absorbed by the side doors and the B pillar and its... 

In Euro NCAP standard, adult protection is one of the most important rating scores with 50% weight factor while child protection and pedestrian protection are accounted into consideration with 20% weight factor. For adult protection testing, three tests are required to perform: (1) side impact, (2) pole impact, (3) front impact. In the side impact test, dummy's head, chest, shoulder, thorax, ribs, abdomen, pelvic and femur must be studied to evaluate the rating score. Crashworthiness of a car during side impact can describe the score rated for that car. In this paper the goal is to determine the crashworthiness of side doors and B-pillar in side impact crash est by simulation using LS DYNA...