Sharif Digital Repository

Experimental and theoretical conformational study of repaglinide in chloroform and dimethyl sulfoxide was investigated. By applying potential energy scanning (PES) at B3LYP/6-311++g** and B3LYP-D3/6-311++g** level of theory on rotatable single bonds, four stable conformers (R1-R4) were identified. Spin-spin coupling constant values were obtained from a set of 2D NMR spectra (H[sbnd]H COSY, H[sbnd]C HMQC and H[sbnd]C HMBC) and compared to its calculated values. Interestingly, from 1HNMR and 2D-NOESY NMR, it has been found that repaglinide structure is folded in CDCl3 and cause all single bonds to rotate at an extremely slow rate. On the other hand, in DMSO-d6, with strong solvent-solute... 

In this research, fine-grained SnO2-based varistors with a simple microstructure and the mean grain size of 0.8 µm were obtained by the microwave sintering method. The breakdown electric field measured for these varistors was 12 kV/cm that is 3 times higher than the conventional-sintered varistors. The high nonlinear coefficient (60) and low leakage current density (9 µA/cm2) were achieved in fine-grained SnO2 varistors. The fine-grained SnO2 varistors appropriately clamped pulse current surges and the calculated value of the clamping voltage ratio of these varistors was 2. The excellent electrical properties and protective effect of fine-grained SnO2 varistors showed that these varistors... 

Structural systems will normally fail as a consequence of a chain of different components failure es. In this paper, fatigue reliability of fixed offshore platforms is investigated by analyzing different failure scenarios. In order to evaluate the occurrence probability of a special scenario, it is divided into a finite number of sub-scenarios. All combinations of time sequences are generated for a given sequence of failures, using a specially developed program. In order to calculate the occurrence probability of each scenario, a massive reliability analysis should be done for each of corresponding sub-scenarios. A large number of sub-scenarios should be analyzed, therefore implementing time... 

Magnetic flux leakage technique is used extensively to detect and characterize defects in natural gas and oil transmission pipelines. The amount of magnetic flux introduced into the test sample is an important factor in the resolution of flaw detection. It depends on the power of permanent magnets and the geometrical design of the magnetic yoke. Finite element method (FEM) is the most widely used method of analyzing magnetic yoke due to its power, accuracy and straightforwardness. On the other hand its calculations are so complicated and time consuming, and every single modification in the parameters of the problem requires a new run. In this paper, we present an innovative method to... 

This article reports the experimental and theoretical results for a spark ignition engine working with compressed natural gas as a fuel. The theoretical part of this work uses a zero-dimensional, multi-zone combustion model in order to predict nitric oxide (NO) emission in a spark ignition (SI) engine. The basic concept of the model is the division of the burned gas into several distinct zones for taking into account the temperature stratification of the burned mixture during combustion. This is especially important for accurate NO emissions predictions, since NO formation is strongly temperature dependent. During combustion, 12 products are obtained by chemical equilibrium via Gibbs energy... 

This work presents the optimization of a solar collector surface in solar desiccant wheel cycle which for cooling process with typical configuration naming desiccant wheel, heat exchanger and water spray evaporative cooler. In this cooling cycle the thermal solar energy has used to heat the regeneration air of desiccant wheel cycle. The optimum solar collector surface has determined by taking into account of design parameters such as velocity of air, wheel speed, thickness of the desiccant and hydraulic diameter of the desiccant wheel and also operating conditions such as outside temperature, outside relative humidity, regeneration air temperature and total solar irradiance. For this... 

Charge-transfer (CT) complexes formed from the reactions of 4-nitropyrocatechol (4-nCat) as an electron acceptor with four amino alcohols: 2-aminoethanol, 1-amino-2-propanol, 4-aminobutanol and N-(2-hydroxyethyl)-1,3-diaminopropane (NHEDAP) as electron donors, have been studied spectrophotometrically in H2O and H2O/EtOH at 20, 25, 30, 35 and 40 °C. The calculated values of the oscillator strength and transition moment confirm the formation of CT-complexes. The thermodynamic and spectroscopic parameters were also evaluated for the formation of CT-complexes. The equilibrium constants ranged from 9.00 to 2.20 l mol-1 (M-1). These interactions are exothermic and have relatively large standard...