Search results for: Haniye Dehestani

Authors: Haniye Dehestani, Yadollah Ordokhani

Abstract:

In this work, we present an efficient approach for solving variable-order time-fractional partial differential equations, which are based on Legendre and Laguerre polynomials. First, we introduced the pseudo-operational matrices of integer and variable fractional order of integration by use of some properties of Riemann-Liouville fractional integral. Then, applied together with collocation method and Legendre-Laguerre functions for solving variable-order time-fractional partial differential equations. Also, an estimation of the error is presented. At last, we investigate numerical examples which arise in physics to demonstrate the accuracy of the present method. In comparison results obtained by the present method with the exact solution and the other methods reveals that the method is very effective.

Keywords: collocation method, fractional partial differential equations, legendre-laguerre functions, pseudo-operational matrix of integration

Procedia PDF Downloads 167

Authors: M. Dehestani, M. Ghasemi-Kooch

Abstract:

In this work, adsorption of chlorophylls a and b pigments in aqueous solution on the inner and outer surfaces of single-walled carbon nanotube (SWCNT) has been studied using molecular dynamics simulation. The linear interaction energy algorithm has been used to calculate the binding free energy. The results show that the adsorption of two pigments is fine on the both positions. Although there is the close similarity between these two pigments, their interaction with the nanotube is different. This result is useful to separate these pigments from one another. According to interaction energy between the pigments and carbon nanotube, interaction between these pigments-SWCNT on the inner surface is stronger than the outer surface. The interaction of SWCNT with chlorophylls phytol tail is stronger than the interaction of SWCNT with porphyrin ring of chlorophylls.

Keywords: adsorption, chlorophyll, interaction, molecular dynamics simulation, nanotube

Procedia PDF Downloads 235

Authors: M. Dehestani, F. Kamali, M. Klantari Pour, L. Zeidabadi-Nejad

Abstract:

Chemical bonding between polyethylene glycol (PEG) with pharmaceutical proteins called pegylation is one of the most effective methods of improving the pharmacological properties. The covalent attachment of polyethylene glycol (PEG) to proteins will increase their pharmacologic properties. For the formation of a combination of pegylated protein should first be activated PEG and connected to the protein. Interferons(IFNs) are a family of cytokines which show antiviral effects in front of the biological and are responsible for setting safety system. In this study, the nature and properties of the interaction between active positions of IFNs and polyethylene glycol have been investigated using molecular dynamics simulation. The main aspect of this theoretical work focuses on the achievement of valuable data on the reaction pathways of PEG-IFNs and the transition state energy. Our results provide a new perspective on the interactions, chemical properties and reaction pathways between IFNs and PEG.

Keywords: interaction, interferons, molecular dynamics simulation, polyethylene glycol

Procedia PDF Downloads 241

Authors: Elyas Akbari, Jafar Hasani, Newsha Dehestani, Mohammad Khaleghi, Alireza Moradi

Abstract:

The aim of the present study was to assess the effect of emotional experience induction in the mirror neurons systems (MNS) activity with regard to the spectrum of depressive symptoms. For this purpose, at first stage, 449 students of Kharazmi University of Tehran were selected randomly and completed the second version of the Beck Depression Inventory (BDI-II). Then, 36 students with standard Z-score equal or above +1.5 and equal or equal or below -1.5 were selected to construct two groups of high and low spectrum of depressive symptoms. In the next stage, the basic activity of MNS was recorded (mu wave) before presenting the positive and negative emotional video clips by Electroencephalography (EEG) technique. The findings related to emotion induction (neutral, negative and positive emotion) demonstrated that the activity of recorded mirror neuron areas had a significant difference between the depressive and non-depressive groups. These findings suggest that probably processing of negative emotions in depressive individuals is due to the idea that the mirror neurons in motor cortex matched up the activity of cognitive regions with the person’s schema. Considering the results of the present study, it could be said that the MNS provides a substrate where emotional disorders can be studied and evaluated.

Keywords: emotional experiences, mirror neurons, depressive symptoms, negative and positive emotion

Procedia PDF Downloads 359