Sharif Digital Repository

In this study, using fluid-structure interaction (FSI), 3-dimensional blood flow in an aneurysm in the circle of Willis-which is located in the middle cerebral artery (MCA)-has been simulated. The purpose of this study is to evaluate the effect of a partly blocked vessel on an aneurysm. To achieve this purpose, two cases have been investigated using the FSI method: in the first case, an ideal geometry of aneurysm in the MCA has been simulated; in the second case, modeling is performed for an ideal geometry of the aneurysm in the MCA with a partly blocked vessel. All boundary conditions, properties and modeling methods were considered the same for both cases. The only difference between the... 

Four derivatives of hyaluronic acid (HA) bearing thiol (HA-SH), hydrazide (HA-hy), 2-dithiopyridyl (HA-SSPy), and aldehyde groups (HA-al) respectively were synthesized. Thiol and 2-dithiopyridyl as well as hydrazide and aldehyde make up two chemically orthogonal pairs of chemo-selective functionalities that allow in situ formation of interpenetrating (IPN) disulfide and hydrazone networks simultaneously upon the mixing of the above derivatives at once. The formation of IPN was demonstrated by comparing it with the formulations of the same total HA concentration but lacking one of the reactive components. The hydrogel composed of all four components was characterized by a larger elastic... 

A molybdate-based heterogeneous magnetic catalyst was synthesized and used in direct oxidation of various primary and secondary organic halides to the corresponding aldehydes and ketones using 30% H2O2 as an oxidant in ethanol. Various organic halides were oxidized to their corresponding aldehydes and ketones in good to excellent yields. The catalyst system can be easily separated by applying an external magnetic field and reused for 6 runs without any significant loss of catalytic activity. The catalyst was fully characterized by FT-IR, SEM, TEM, EDS, XRD, VSM, ICP-AES techniques, and elemental analysis (CHN)  

Harnessing neural stem cells to repair neuronal damage is a promising potential treatment for neuronal diseases. To enable future therapeutic efficacy, the survival, proliferation, migration and differentiation of neural stem/progenitor cells (NPCs) should be accurately studied and optimized in in vitro platforms before transplanting these cells into the body for treatment purposes. Such studies can determine the appropriate quantities of the biochemical and biomechanical factors needed to control and optimize NPC behavior in vivo. In this study, NPCs were cultured within a microfluidic device while being encapsulated within the collagen matrix. The migration and differentiation of NPCs were... 

Site reactivity of some enol-imines derived from N-aryl formamides with pentachloropyridine under basic conditions in dry CH3CN was investigated. The aromatic nucleophilic substitution of pentachloropyridine with enol-imines occurs at the 4-position of pyridine ring by both oxygen and nitrogen site of enol-imines. Nucleophilic attack by the oxygen of enol-imine gave corresponding oximino compounds as a mixture of E- and Z-isomers. In contrast, nucleophilic attack by the nitrogen of enol-imine gave the unexpected N,N-di-substituted aryl compounds. The structures of all the compounds were confirmed by IR, 1H NMR, 13C NMR and 19F NMR spectroscopy as well as elemental analysis and... 

Neural tissue engineering aims at developing novel approaches for the treatment of diseases of the nervous system, by providing a permissive environment for the growth and differentiation of neural cells. Three-dimensional (3D) cell culture systems provide a closer biomimetic environment, and promote better cell differentiation and improved cell function, than could be achieved by conventional two-dimensional (2D) culture systems. With the recent advances in the discovery and introduction of different types of stem cells for tissue engineering, microfluidic platforms have provided an improved microenvironment for the 3D-culture of stem cells. Microfluidic systems can provide more precise... 

Herein, a novel quaternary Ag3PO4/BiPO4@MIL-88B(Fe)@g-C3N4 (AB@MIL-88B(Fe)@g-CN) nanocomposite with a core@shell structure is successfully fabricated in two simple steps. The prepared samples are characterized via various techniques. The photocatalytic activity of the prepared samples is evaluated by the degradation of navy Acid Blue 92 (AB92) dye as an organic pollutant under visible light irradiation. Highly enhanced photocatalytic efficiency is observed for the quaternary AB@MIL-88B(Fe)@g-CN nanocomposite compared to that for the other samples. The experimental results indicate that the photocatalytic activity enhancement is mainly attributed to the strong visible light absorption and... 

In this study, AgxNi100-x, and CoxNi100-x (x = 0, 20, 40, 60, 80, and 100) bimetallic nanoparticles were successfully decorated on the surface of CeO2 nanorods derived from Ce-metal organic frameworks (Ce-MOF). The as-synthesized products were characterized using different techniques including XRD, FE-SEM, EDX, TEM, ICP, and BET. The as-prepared nanocomposites showed remarkable catalytic activity towards the reduction of organic pollutants such as 4-nitrophenol (4-NP), and rhodamine-B dye (RhB) by NaBH4 solution, with high stability and reusability for five consecutive cycles. The obtained results indicated that among these nanocomposites, Ag80Ni20@CeO2, and Co60Ni40@CeO2 exhibited the best... 

Polyols were used as model ligands for Mg2+, Ca2+, and Zn2+ complexes to study the role of the hydrogen bond network on the metal binding affinity and modulation of successive pKa values using density functional theory. The results confirm that the acidity of polyols dramatically increases upon metal complexation in the order Zn2+ > Mg2+ > Ca2+. For example, the three H-site positions in the hydroxyl groups of the heptaol, bound to Zn2+, are 11.2, 29.9, and 30.9 pKa units (in methanol) more acidic than those of pure heptaol. This acidity enhancement leads to making polyols as good ligands toward complexation. For instance, the formation constants of the heptaol in the presence of Zn2+, Mg2+,... 

In this study, MoS2/reduced graphene oxide (rGO) was used as a cocatalyst to synthesize very highly efficient Cu2O/MoS2/rGO for cooperative catalytic applications. The resulting nanocomposite was characterized by various analytical techniques and applied for catalytic reduction of 4-nitrophenol (4-NP) to 4-aminophenol and photocatalytic degradation of Acid blue 92. Cu2O/MoS2/rGO composite presents superior performance to pure Cu2O particles in both catalytic and photocatalytic reactions. This excellent activity demonstrates synergistic effect of MoS2/rGO as a cocatalyst in the nanocomposite. The role of the active sites in the reduction of 4-NP and degradation of dye was discussed and... 

Herein, we report the impact of chromium doping on the physical properties, electronic band structure and photovoltaic characteristics of their corresponding devices based on dye-sensitized solar cells (DSCs). Different DSCs with various compositions of the photoanode electrodes are fabricated to study their optical, structural, conduction band edge, donor density, depth of trap states and photoelectrochemical properties using X-ray diffraction (XRD), diffuse reflectance spectroscopy (DRS), field-emission scanning electron microscopy (FE-SEM), Mott-Schottky capacitance analysis, chemical capacitance and electrochemical impedance spectroscopy (EIS) measurements. For such studies, the Cr-doped... 

The main aim of this research is to improve the photocatalytic activity of TiO2 nanotubes by co-doping with copper and sodium for application in the water splitting process as a photoanode. The doping was performed simultaneously to the anodizing process through a single-step treatment. The synthesized TiO2 nanotube array (TNA) was characterized by applying FESEM (Field Emission Scanning Electron Microscopy), XRD (X-ray Diffraction), DRS (Diffraction Reflection Spectroscopy) and XPS (X-ray Photoelectron Spectroscopy) analyses. The results of XPS analysis proved the presence of copper with valence (2+) and carbon and sodium with valence (1+). Moreover, DRS tests showed a reduction in the band... 

Two mononuclear coordination complexes of fullerene[60] with Pd(dba)2 (dba = dibenzylideneacetone), [(η2-C60)Pd(Ph2P(CH2)2PPh2C(H)C(O)R)2] (R = C10H7 (1), C6H4Cl (2)), have been prepared using a simple procedure to explore new directions in palladium catalysis and nanocarbon chemistry. The palladium(0)-[60]fullerene complexes incorporating unsymmetrical phosphorus ylides have been characterized by 1H, 13C and 31P NMR spectroscopic methods and other conventional techniques such as IR, TGA, SEM, ICP-OES, EDX and TEM analysis. Attributed to the enhanced dispersity and uniform size of the Pd nanoparticles with phosphine-functionalized fullerenes, the prepared catalysts exhibited comparable... 

Kinetic modeling of CO hydrogenation over Fe-Co-Mn catalyst was investigated; a ternary catalyst was prepared using incipient wetness impregnation. The kinetic parameters were determined from experiments carried out in a fixed bed micro-reactor under the following process conditions: T = 523.15-533.15 K, P = 1-10 bar, H2/CO = 1/1-3/1 and space velocity = 4500 h-1. Seventeen rate expressions were derived from five different mechanisms according to Langmuir-Hinshelwood-Hougen-Watson (LHHW) and Eley-Rideal (ER) mechanisms and were tested against the experimental data. Non-linear regression method was used to estimate different kinetic parameters; according to the obtained experimental results... 

A new plasmonic Ag hybridized CuWO4/WO3 heterostructure was successfully synthesized via a ligand-assisted sol gel method. The as-prepared plasmonic nanohybrid was thoroughly characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-visible spectroscopy, photoluminescence (PL) spectrometry, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, Brunauer-Emmett-Teller (BET) surface area analysis and electrochemical impedance spectroscopy (EIS). Moreover, the photocatalytic activity was evaluated by photo-degradation of methylene blue (MB) under visible light irradiation. The results indicate that the as-prepared plasmonic Ag-CuWO4/WO3 nanohybrid (compared to pure... 

Herein, we demonstrate a facile low temperature approach to prepare a gel polymer electrolyte (GPE) based on the triiodide/iodide redox couple in a quasi-solid-state dye-sensitized solar cell (DSSC). Only one polymeric agent (i.e., hydroxypropyl cellulose (HPC)) is used for the preparation of a non-volatile GPE system for the standard liquid electrolyte containing 1-methyl-3-propylimidazolium iodide (MPII). The prepared GPE completely penetrates into a TiO2 photoanode at room temperature due to the uniform distribution of Ti, Ru and I elements in the cross-section of the electrode, forming an interpenetrating GPE/TiO2 network to access all dye molecules. The GPE with the optimum HPC : MPII... 

Sol composition and ripening conditions are two important parameters in silica fiber production through the conventional sol-gel process. In the current study, silica nanofibers were successfully obtained via the electrospinning technique, and sol-gel formation occurred during this process. Based on previous reports, with the aim of increasing the selectivity, we used the molecular imprinted methodology to produce a selective medium via sol-gel electrospinning. In this process, sol-gel was formed during electrospinning and then, the backbone polymer was removed by heating. To obtain a thin layer of silica nanofibers, the influencing parameters such as backbone polymer types, imprinting time... 

Herein, functionalized spiro[indoline-3,5′-pyrazolo[1,2-a]pyridazine]-7′-carbonitrile containing two contiguous chiral stereocenters was efficiently synthesized in a satisfactory yield (up to 91% yield) and with excellent diastereoselectivity. We have reached this satisfactory yield by DABCO-catalyzed [3+3] annulation reactions of an isatin N,N′-cyclic azomethine imine 1,3-dipole with a Knoevenagel intermediate in dichloromethane (DCM) as solvent at ambient temperature; this was an entirely new strategy for creating one quaternary stereogenic center at the position-3 of an oxindole structure using an abnormal tandem Michael addition, N-cyclization, and a unique approach via the azomethine... 

Herein, we report the preparation of novel magnetic graphene oxide (GO) grafted with brush polymer via surface-initiated reversible addition-fragmentation chain transfer (SI-RAFT) polymerization and its application as a nanocarrier for magnetic- and pH-triggered delivery of doxorubicin anticancer drug. The RAFT agent, DDMAT, was firstly attached to the surface of magnetic GO nanosheets. The DDMAT-functionalized magnetic GO nanosheets were then used to polymerize glycidyl methacrylate (GMA) using an SI-RAFT method. Afterwards, the epoxy rings of the PGMA chains were opened with hydrazine (N2H4) moieties. The resulting nanocomposite was used as a drug carrier for doxorubicin (DOX) as an... 

Due to its high discharge capacity, low cost, and good safety, LiNi0.5Co0.2Mn0.3O2 (NCM 523) is regarded as a promising cathode material for the next-generation of lithium-ion batteries. However, poor cycling stability and rate capability are the main disadvantages of the NCM 523 cathode material. In this work, SiO2 single layer-coated and reduced graphene oxide (outer)/SiO2 (inner) double layer-coated NCM 523 have been prepared by a facile wet chemical method. Field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) analysis, transmission electron microscopy (TEM), Raman spectroscopy and Fourier transform infrared (FTIR) spectroscopy results confirm that NCM 523...