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- 저자 : Saeede Hashemian (검색결과 3 건)
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Shahin Foroutan,Mohammad Hashemian,Mehdi Khosravi,Mazyar Ghadiri Nejad,Azadeh Asefnejad,Saeed Saber-Samandari,Amirsalar Khandan 한국섬유공학회 2021 Fibers and polymers Vol.22 No.2
Bone regeneration is a growing and relatively effective treatment in most bone disease treatments. Adverse effectsassociated with conventional transplantation techniques have led to advanced bone tissue engineering. The purpose of thisstudy is to produce a bone scaffold, made of sodium alginate (Na-Alg) based scaffold, with the addition of wollastonitegraphenenanosheet (WS-GS) with similar mechanical properties to normal bone. First, the Na-Alg-WS-GS nanocompositesare fabricated using freeze-drying technique in which GS is used as additives with different weight percentages (0, 1, 2 and3 wt%). The fabricated nanocomposite scaffolds are tested and analyzed by X-ray diffraction (XRD) and scanning electronmicroscopy (SEM) analyzes. The maximum tensile strength, lowest decrease in sample area and stress yield is tested usingmechanical testing. Then, the biological response in the biological environment, pH and weight changes after immersion insimulated body fluid (SBF) and phosphate buffered saline (PBS) is determined. The results show that the sample with 1 wt%GS has an appropriate capacity for reconstitution in the biological solution. The SEM shows an appropriate porosity of thescaffolds and a uniform distribution of GS in the polymeric matrix. The SEM images shows that as the amount of GSincreases, the swelling capacity of the nanocomposites rises, regarding the weak bonding of GS and polymeric matrix. Additional amount of GS leads to increase in the tensile strength with the sample containing 1 wt%, however increasing ofGS may decreases the mechanical performance of the structure. To gain the optimal combination of scaffold with the bestmechanical and biological properties, the Global Criterion Method (GCM) is utilized. The obtained results show that theprepared nanocomposites are suitable for further development in tissue engineering and can be suitable for the bonesubstitutes application with desirable mechanical performance.
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Theoretical Study of Thiazole Adsorption on the (6,0) zigzag Single-Walled Boron Nitride Nanotube
Moradi, Ali Varasteh,Peyghan, Ali Ahmadi,Hashemian, Saeede,Baei, Mohammad T. Korean Chemical Society 2012 Bulletin of the Korean Chemical Society Vol.33 No.10
The interaction of thiazole drug with (6,0) zigzag single-walled boron nitride nanotube of finite length in gas and solvent phases was studied by means of density functional theory (DFT) calculations. In both phases, the binding energy is negative and presenting characterizes an exothermic process. Also, the binding energy in solvent phase is more than that the gas phase. Binding energy corresponding to adsorption of thiazole on the BNNT model in the gas and solvent phases was calculated to be -0.34 and -0.56 eV, and about 0.04 and 0.06 electrons is transferred from the thiazole to the nanotube in the phases. The significantly changes in binding energies and energy gap values by the thiazole adsorption, shows the high sensitivity of the electronic properties of BNNT towards the adsorption of the thiazole molecule. Frontier molecular orbital theory (FMO) and structural analyses show that the low energy level of LUMO, electron density, and length of the surrounding bonds of adsorbing atoms help to the thiazole adsorption on the nanotube. Decrease in global hardness, energy gap and ionization potential is due to the adsorption of the thiazole, and consequently, in the both phases, stability of the thiazole-attached (6,0) BNNT model is decreased and its reactivity increased. Presence of polar solvent increases the electron donor of the thiazole and the electrophilicity of the complex. This study may provide new insight to the development of functionalized boron nitride nanotubes as drug delivery systems for virtual applications.
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Theoretical Study of Thiazole Adsorption on the (6,0) zigzag Single-Walled Boron Nitride Nanotube
Ali Varasteh Moradi,Ali Ahmadi Peyghan,Saeede Hashemian,Mohammad T. Baei 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.10
The interaction of thiazole drug with (6,0) zigzag single-walled boron nitride nanotube of finite length in gas and solvent phases was studied by means of density functional theory (DFT) calculations. In both phases, the binding energy is negative and presenting characterizes an exothermic process. Also, the binding energy in solvent phase is more than that the gas phase. Binding energy corresponding to adsorption of thiazole on the BNNT model in the gas and solvent phases was calculated to be −0.34 and −0.56 eV, and about 0.04 and 0.06 electrons is transferred from the thiazole to the nanotube in the phases. The significantly changes in binding energies and energy gap values by the thiazole adsorption, shows the high sensitivity of the electronic properties of BNNT towards the adsorption of the thiazole molecule. Frontier molecular orbital theory (FMO) and structural analyses show that the low energy level of LUMO, electron density, and length of the surrounding bonds of adsorbing atoms help to the thiazole adsorption on the nanotube. Decrease in global hardness, energy gap and ionization potential is due to the adsorption of the thiazole, and consequently, in the both phases, stability of the thiazole-attached (6,0) BNNT model is decreased and its reactivity increased. Presence of polar solvent increases the electron donor of the thiazole and the electrophilicity of the complex. This study may provide new insight to the development of functionalized boron nitride nanotubes as drug delivery systems for virtual applications.
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