Sharif Digital Repository

We studied the mobility of p-carborane on a gold surface by analyzing the potential energy surfaces (PES) and simulating the motion of p-carborane using the classical molecular dynamics (MD) method. In the first section, we calculated the PES of p-carborane molecules on a gold surface during pure translation (sliding) and pure rotation independently and then employed this PES to predict the probable motion of p-carborane. These calculations were performed in several major orientations during sliding as well as different fixed positions during rotational movements to enable us to find the p-carborane motion threshold on a gold surface. In the second section, we use classical MD in isothermal... 

In recent years, nanocars with p-carborane wheels have been a subject of interest as an artificial molecular machine. Researchers aim to discover compositions that are easier to fabricate, efficient and are more stable on the surface. The p-carborane molecule has all these key elements, making it a viable choice as a nanocar wheel, and the mobility of a nanocar is heavily influenced by the motion of its wheels. In this research, we use classical Molecular Dynamics (MD) in isothermal conditions to specify the regime of motion of p-carborane at different temperatures. We find that by raising the temperature, three different regimes of motion may be observed: jumps to adjacent cells, long... 

In recent years, various nanocars have been synthesized in order to provide controlled mechanical function, transport other nanoparticles, or enable bottom-up assembly capability. There have even been racing competitions among well-known nanocars in which the wheels play an influential role. In this paper, the motion of thermally driven nanocars equipped with p-carborane wheels on Au(111) and Au(001) substrates is investigated. For the sake of comparison, classical all-Atom molecular dynamics (MD) and rigid-body MD (RBMD) have been used to study the motion threshold as well as to analyze the effect of temperature, substrate crystalline direction, and chassis shape on the diffusive motion of... 

In recent years, various nanocars have been synthesized in order to provide controlled mechanical function, transport other nanoparticles, or enable bottom-up assembly capability. There have even been racing competitions among well-known nanocars in which the wheels play an influential role. In this paper, the motion of thermally driven nanocars equipped with p-carborane wheels on Au(111) and Au(001) substrates is investigated. For the sake of comparison, classical all-atom molecular dynamics (MD) and rigid-body MD (RBMD) have been used to study the motion threshold as well as to analyze the effect of temperature, substrate crystalline direction, and chassis shape on the diffusive motion of... 

In this paper we present design and implementation of a new multi dimensional packet classifier engine using network processor technology. Our classification algorithm is fast and is based on hierarchical trie search for multi-dimensional rules. Moreover, we propose a technique to optimize the memory usage of our classifier. We have used the Intel® IXP1200 network processor pipeline architecture for implementation of the classifier. The final system is targeted to be a fast firewall packet filtering engine that uses the filtering policies as its classification rules. Our experimental result shows that the packet classification throughput results for various distribution of packet sizes, is... 

The Next Bit Test briefly states that a sequence is random if and only if, given any i bits of the sequence, it is not possible to predict the next bit of the sequence with a probability of success significantly greater than 1/2. In 1996, Sadeghiyan and Mohajeri proposed a so-called "new universal test for bit strings", based on the theoretical next bit test. In this paper, we study different aspects of this test and show its weakness. Then, we improve it both theoretically and practically for better classification of the sequences. As a result, a Practical Next Bit (PNB) test is introduced in two Global and Local versions and a histogram, which gives an impression of the global evaluation... 

In this paper concurrent design of Schottky diode based limiter and low noise amplifier (LNA), based on noise matching, is investigated to achieve minimum noise figure (NF) of the receiver chain. In design procedure of the LNA, the noise figure is minimum, gain at central frequency is 14.5 dB, and limiter structure tolerates up to 5 W continuous wave input power. In the proposed concurrent design, a pass-band filter is applied at the LNA output to attenuate undesired out-of-band signals. In the proposed design, the limiter-LNA is implemented with a 0.25 µm gate length AlGaAs/InGaAs pHEMT process. Measured noise figure of chain is 2.7 dB and average gain over 8.5–9.5 GHz frequency range and... 

In this paper concurrent design of Schottky diode based limiter and low noise amplifier (LNA), based on noise matching, is investigated to achieve minimum noise figure (NF) of the receiver chain. In design procedure of the LNA, the noise figure is minimum, gain at central frequency is 14.5 dB, and limiter structure tolerates up to 5 W continuous wave input power. In the proposed concurrent design, a pass-band filter is applied at the LNA output to attenuate undesired out-of-band signals. In the proposed design, the limiter-LNA is implemented with a 0.25 µm gate length AlGaAs/InGaAs pHEMT process. Measured noise figure of chain is 2.7 dB and average gain over 8.5–9.5 GHz frequency range and... 

Traffic safety policies are still conventionally ranked on financial and environmental criteria in developing countries, yet the equity concept can be advantageously used as an integral part of the process of traffic safety policy making. Equity in transportation is defined as how appropriately and equally the impacts of transportation are distributed among different types of users. The main contribution of this research is to introduce traffic safety equity in transportation policy making. The authors advocate for a modeling framework that considers traffic safety equity as a focal point. The analytical network process overcomes the drawbacks of data intensive models that are so difficult... 

A rapid and sensitive HPLC method has been developed for the quantification of mirtazapine (MRZ), a noradrenergic and specific serotonergic inhibitor antidepressant (NaSSA) and its two major metabolites N-desmethyl mirtazapine (NDM) and 8-hydroxymirtazapine (8-OHM) in human plasma. The separation was achieved using Chromolith C18 column and a mobile phase of acetonitrile: phosphate buffer (pH = 3, 20:80, v/v) in isocratic mode at a flow rate of 2 mL/min. A fluorescence detector was set at 290 and 350 nm for excitation and emission, respectively. Zolpidem was used as the internal standard. Liquid-liquid extraction was applied for sample clean up. All analytes were eluted in less than 5... 

Growth arrest-specific gene 6 (GAS6) is a growth factor-like cytokine whose function is related with vitamin K. This protein interacts with receptor tyrosine kinase proteins such as Tyro3, Axl, and TAM Receptor family, therefore affecting the tumorigenic processes via different mechanisms. GAS6-antisense 1 (GAS6-AS1) is a long non-coding RNAs (lncRNAs) that is transcribed from a genomic regions nearby GAS6. This lncRNA is also implicated in the pathobiology of cancer. We intended to judge the role of GAS6 and GAS6-AS1 in the pathogenesis of breast cancer through appraisal of their expression levels in breast cancer tissues and their paired neighboring non-cancerous samples. Expression of... 

The control of a brachiation robot has been the primary objective of this study. A brachiating robot is a type of a mobile arm that is capable of moving from branch to branch similar to a long-armed ape. In this paper, to minimize the actuator work, Pontryagin's minimum principle was used to obtain the optimal trajectories for two different problems. The first problem considers “brachiation between fixed branches with different distance and height,” whereas the second problem deals with the “brachiating and catching of a moving target branch”. Theoretical results show that the control effort in the proposed method is reduced by 25% in comparison with the “target dynamics” method which was... 

Chromatographic method development for preparative targets is a time-consuming and subjective process. This can be particularly problematic because of the use of valuable samples for isolation and the large consumption of solvents in preparative scale. These processes could be improved by using statistical computations to save time, solvent and experimental efforts. Thus, contributed by ESI-MS, after applying DryLab software to gain an overview of the most effective parameters in separation of synthesized celecoxib and its co-eluted compounds, design of experiment software that relies on multivariate modeling as a chemometric approach was used to predict the optimized touching-band... 

Four 5-, 10-, 20- and 30-story moment frames, representing low-, mid-, and two high-rise structures, were subjected to a great number of idealized directivity pulses. The amplitudes and periods of pulses vary from 0.02 g to 1.0 g and 0.5 to 12 sec, respectively. Over 1400 nonlinear dynamic analyses of low- to high-rise moment frames were performed which were feasible through using modified fish-bone model. The distribution of interstory drift along the height was studied and two applied contours were proposed: (i) the maximum interstory drift contour, and (ii) the critical story contour. These contours were demonstrated versus the ratio of natural period of the structure to the pulse period... 

In this article singular points of a parallel manipulator are obtained based on a novel geometrical method. Here we introduce the constrained plain method (CPM) and some of its application in parallel mechanism. Given the definition of constraint plane (CP) and infinite constraint plane (ICP) the dependency conditions of constraints is achieved with the use of a new theorem based on the Ceva geometrical theorem. The direction of angular velocity of a body is achieved by having three ICPs with the use of another theorem. Finally, with the use of the above two novel theorems singularities of the 3UPF_PU mechanism are obtained. It should be emphasized that this method is completely geometrical,... 

An analytical model is proposed to study the effect of particle size on melting enthalpy and entropy of metallic nanoparticles (NPs). The Mott's and Regel's equations for melting entropy in the combination of core average coordination number (CAC) and surface average coordination number (SAC) of freestanding NPs are considered. Clusters of icosahedral (IC), body centered cubic (BCC), and body centered tetragonal (BCT) structure without any vacancies and defects are modeled. Using the variable coordination number made this model to be in good agreement with experimental and molecular dynamic (MD) results of different crystal structures. The model predicts melting entropy and enthalpy of...