Sharif Digital Repository

In this paper, the effects of Equal Channel Angular Pressing process (ECAP) followed by Shot Peening process (SP) on the fatigue properties of 6082 aluminum alloy are investigated. Several samples of the alloy are ECAPed and SPed and then their mechanical behavior are characterized using tensile, micro-hardness, and fatigue tests. The results indicate that shot peening and then polishing the specimen after one-pass ECAP is an effective method to improve the fatigue life of the alloy. Moreover, by increasing the number of ECAP passes before shot peening, a local work softening occurs at the subsurface layer, leading to a significant decrease in the fatigue life of the alloy. The results of... 

Ab initio quantum mechanics and ONIOM calculations were used to study solvent and substituent effects on the reactions of 1,4-benzoquinone with cyclopentadiene and cyclohexadiene derivatives in tetrahydrofuran and greater water solvents. These calculations revealed (i) that increasing the number of electron donating methyl group substituents and (ii) the proximity of substituents to the reacting carbons (carbon atoms which contribute to the forming C-C bonds) on the diene, promote charge transfer from the diene to the dienophile in the transition state. © 2008 Science Reviews 2000 Ltd. These effects increase the negative charge on the oxygen atoms, destabilize the transition state in the... 

The kinetics and mechanism of the reactions of hydroxylamine and aminoxide anion with methyl iodide were studied with ab initio calculations, Monte-Carlo and QM/MM simulations in gas and aqueous phases. Geometrical parameters and charge calculations show that these reactions proceed through the SN2 (bimolecular nucleophilic displacement) mechanism only. The solvent effects on these reactions were studied by inserting water molecules in reaction media, Onsager model, Monte-Carlo and QM/MM simulations. Activation parameters indicate the expected variation in activation energy and rate coefficient in aqueous phase in comparison to the gas phase. The shift of potential energy barrier through the... 

Polyethylene oxide (PEO)/chitosan (CS)/graphene oxide (GO) electrospun nanofibrous scaffolds were successfully developed via electrospinning process for controlled release of doxorubicin (DOX). The SEM analysis of nanofibrous scaffolds with different contents of GO (0.1, 0.2, 0.5 and 0.7 wt.%) indicated that the minimum diameter of nanofibers was found to be 85 nm for PEO/CS/GO 0.5% nanofibers. The π-π stacking interaction between DOX and GO with fine pores of nanofibrous scaffolds exhibited higher drug loading (98%) and controlled release of the DOX loaded PEO/CS/GO nanofibers. The results of DOX release from nanofibrous scaffolds at pH 5.3 and 7.4 indicated strong pH dependence. The... 

In the present study, polylactic acid (PLA)/polyethylene glycol (PEG)/multiwalled carbon nanotube (MWCNT) electrospun nanofibrous scaffolds were prepared via electrospinning process and their applications for the anticancer drug delivery system were investigated. A response surface methodology based on Box-Behnken design (BBD) was used to evaluate the effect of key parameters of electrospinning process including solution concentration, feeding rate, tip-collector distance (TCD) and applied voltage on the morphology of PLA/PEG/MWCNT nanofibrous scaffolds. In optimum conditions (concentration of 8.15%, feeding rate of 0.2 mL/h, voltage of 18.50 kV and TCD of 13.0 cm), the minimum experimental... 

A theoretical study of the kinetics and mechanism of the cyclization of citronellal in the gas phase was performed using density functional theory methods at the B3LYP level of theory with 6-311G, 6-311G*, 6-31G**, 6-311G**, 6-311 þ G and 6-311 þ þ G basis sets at 298.15 K, 433.15 K, and 473.15 K. Equilibrium molecular geometries and harmonic vibrational frequencies of the reactant, transition state and products were calculated. Rate constants and activation thermodynamic parameters were calculated and showed a fairly good agreement with experimental results. The effect of solvent polarity on the reaction was studied. These calculations indicated that the reaction proceeds through an... 

In this work, the synthesized graphene oxide/TiO2/doxorubicin (GO/TiO2/DOX) composites were loaded into the chitosan/poly(lactic acid) (PLA) solutions to fabricate the electrospun chitosan/PLA/GO/TiO2/DOX nanofibrous scaffolds via electrospinning process. The synthesized composites and nanofibers were characterized using X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. Three-factor three-level central composite design was used to determine the influence of PLA to chitosan ratio, TiO2/DOX content and GO/TiO2/DOX content on the release of DOX from nanofibrous scaffolds. Drug loading efficiency and drug release behavior from... 

In the present study, the potential of doxorubicin hydrochloride (DOX)-loaded electrospun chitosan/cobalt ferrite/titanium oxide nanofibers was studied to investigate the simultaneous effect of hyperthermia and chemotherapy against melanoma cancer B16F10 cell lines. The cobalt ferrite nanoparticles were synthesized via microwave heating method. The titanium oxide nanoparticles were mixed with cobalt ferrite to control the temperature rise. The synthesized nanoparticles and nanofibers were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and vibrating sample magnetometer (VSM) analysis. The DOX loading efficiency and in vitro drug release of... 

In this work, the synthesized graphene oxide/TiO2/doxorubicin (GO/TiO2/DOX) composites were loaded into the chitosan/poly(lactic acid) (PLA) solutions to fabricate the electrospun chitosan/PLA/GO/TiO2/DOX nanofibrous scaffolds via electrospinning process. The synthesized composites and nanofibers were characterized using X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. Three-factor three-level central composite design was used to determine the influence of PLA to chitosan ratio, TiO2/DOX content and GO/TiO2/DOX content on the release of DOX from nanofibrous scaffolds. Drug loading efficiency and drug release behavior from... 

ZSM-5 (Seolite Sconoy Mobil) aluminosilicate zeolites synthesized by the hydrothermal method were incorporated into the hydrophobic ethyl cellulose (EC) nanofibrous membrane. The performance of synthesized nanofibers was investigated for a gravity driven oil–water separation. The synthesized ZSM-5 nanozeolites and EC/ZSM-5 composite nanofibers were characterized using XRD, FESEM, XPS, FTIR and AFM analysis. The permeability of EC/ZSM-5 5 wt% for oil in water mixture was in order of n-hexane (5170 ± 60 L/m2 h) > n-heptane (4600 ± 50 L/m2 h) > cyclohexane (4350 ± 35 L/m2 h) > pump oil (3780 ± 28 L/m2 h) > lubricating oil (3200 ± 25 L/m2 h) > motor oil (2980 ± 20 L/m2 h) with a separation... 

The chitosan-grafted-poly(N-vinylcaprolactam) (chitosan-g-PNVCL) nanofibers were synthesized via electrospinning method. ZIF-8 metal-organic frameworks nanoparticles were incorporated into the nanofibers for adsorption of Cr(VI), As(V) and phenol from water. The BET, FTIR, XRD and SEM analysis were carrfried out to obtain the characteristics of nanofibers. The optimum parameters of ZIF-8 content, pH, contact time, adsorbent dosage, and initial concentration of adsorbates on the Cr(VI), As(V) and phenol removal were studied. The reusability of synthesized nanofibers for five sorption-desorption cycles was also examined. The maximum experimental adsorption capacity of the... 

The potential of electrospun cellulose acetate/chitosan/single walled carbon nanotubes/ferrite/titanium dioxide (CA/chitosan/SWCNT/Fe3O4/TiO2) nanofibers was investigated for the removal of Cr(VI), As(V), Methylene blue and Congo red from aqueous solutions via the adsorption and photocatalytic reduction processes. The properties of synthesized SWCNT/Fe3O4/TiO2 and fibers were characterized using TEM, SEM, FTIR, XRD, TGA and BET analysis. In adsorption process, the influence of adsorbent type including SWCNT to Fe3O4 ratio, TiO2 to SWCNT/Fe3O4 ratio and SWCNT/Fe3O4/TiO2 concentration as well as the adsorption parameters including pH, contact time, and initial concentration of adsorbates on... 

SARS-CoV-2 is a strain of Coronavirus family that caused the ongoing pandemic of COVID-19. Several studies showed that the glycosylation of virus spike (S) protein and the Angiotensin-Converting Enzyme 2 (ACE2) receptor on the host cell is critical for the virus infectivity. Molecular Dynamics (MD) simulations were used to explore the role of a novel mutated O-glycosylation site (D494S) on the Receptor Binding Domain (RBD) of S protein. This site was suggested as a key mediator of virus-host interaction. By exploring the dynamics of three O-glycosylated models and the control systems of unglcosylated S4944 and S494D complexes, it was shown that the decoration of S494 with elongated O-glycans... 

The core-shell nanofibers, produced by the coaxial electrospinning method, are good candidates for delivery of anticancer drugs due to their continuous release without initial burst release. In this work, the N-carboxymethyl chitosan (N-CMCS)-polyvinyl alcohol (PVA)/poly(ε-caprolactone) (PCL) composite and core-shell nanofibers were prepared by two-nozzle and coaxial electrospinning techniques, respectively. Doxorubicin (DOX) as an anticancer drug was loaded into the N-CMCS/PVA/PCL nanofibers fabricated by two-nozzle and coaxial electrospinning. The performance of nanofibers was compared for the adsorption and controlled release of DOX against MCF-7 breast cancer cells death in vitro. The... 

The core-shell nanofibers, produced by the coaxial electrospinning method, are good candidates for delivery of anticancer drugs due to their continuous release without initial burst release. In this work, the N-carboxymethyl chitosan (N-CMCS)-polyvinyl alcohol (PVA)/poly(ε-caprolactone) (PCL) composite and core-shell nanofibers were prepared by two-nozzle and coaxial electrospinning techniques, respectively. Doxorubicin (DOX) as an anticancer drug was loaded into the N-CMCS/PVA/PCL nanofibers fabricated by two-nozzle and coaxial electrospinning. The performance of nanofibers was compared for the adsorption and controlled release of DOX against MCF-7 breast cancer cells death in vitro. The... 

The core-shell nanofibers, produced by the coaxial electrospinning method, are good candidates for delivery of anticancer drugs due to their continuous release without initial burst release. In this work, the N-carboxymethyl chitosan (N-CMCS)-polyvinyl alcohol (PVA)/poly(ε-caprolactone) (PCL) composite and core-shell nanofibers were prepared by two-nozzle and coaxial electrospinning techniques, respectively. Doxorubicin (DOX) as an anticancer drug was loaded into the N-CMCS/PVA/PCL nanofibers fabricated by two-nozzle and coaxial electrospinning. The performance of nanofibers was compared for the adsorption and controlled release of DOX against MCF-7 breast cancer cells death in vitro. The... 

In the present study, dual layers mixed matrix membranes (MMMs) were prepared by incorporating aminated-Fe3O4 nanoparticles into the chitosan/polyvinyl alcohol nanofibers over the polyethersulfone (PES) membrane for the removal of Cr(VI) and Pb(II) ions in batch adsorption and membrane processes. The synthesized aminated-Fe3O4 nanoparticles were characterized using XRD, FESEM and FTIR analysis. The morphology and roughness of membranes were determined using SEM, TEM and AFM analysis. The effect of adsorption operating parameters such as pH (2–7), contact time (0–60 min), initial concentration of metal ions (20–1000 mgL−1) and temperature (30–50 °C) on the Cr(VI) and Pb(II) ions sorption was... 

In the present study, the tri-layer nanofibers were synthesized via triaxial electrospinning process to control the sustained delivery of Doxorubicin (DOX), Paclitaxel (PTX) and 5- fluorouracil (5-FU) anticancer drugs from nanofibers. The 5-FU molecules were incorporated into the core solution (chitosan/polyvinyl alcohol (CS/PVA)) to fabricate the CS/PVA/5-FU inner layer of nanofibers. The intermediate layer was prepared from poly(lactic acid)/chitosan (PLA/CS) nanofibers. The DOX and PTX molecules were initially loaded into the g-C3N4 nanosheets and following were incorporated into the PLA/CS solution to fabricate the outer layer of nanofibers. The synthesized nanosheets and nanofibers were... 

The UiO-66 NH2 and ZIF-8 metal organic framework nanoparticles (NMOFs) were incorporated into the polyvinylidene fluoride (PVDF) nanofibrous membrane. Then, the chitosan nanofibers were coated on the PVDF nanofibers to produce the PVDF/chitosan nanofibers. The performance of synthesized PVDF/NMOFs single layer and PVDF/chitosan/NMOFs two layers nanofibrous membranes was investigated for BSA protein molecules and Cr(VI) ions separation via ultrafiltration membrane process. The potential of synthesized nanofibers was also examined for BSA and Cr(VI) adsorption in a batch system. The characteristics of synthesized nanofibrous membranes were determined using SEM, EDX, TGA, BET, porosity and... 

Ceramic-magnetic nanoparticles (CMNPs) are attracting attention due to their various applications, especially in biomedical industries. Among them, spinel ferrite CMNPs have received considerable deliberations among different spinel metal oxides due to their fascinating characteristics. Spinel ferrite CMNPs are used for enhancement of the applicability of CMNPs without affecting the intrinsic advantages of iron oxide CMNPs. Spinel ferrites with doping agents have useful electrical and magnetic properties in various fields. Moreover, the replacement of metallic atoms in ferrites is promising to manipulate physical characteristics and improve their performance. Among different spinel ferrites,...