Sharif Digital Repository

Different aliphatic and aromatic aldehydes such as isobutyraldehyde, ethanal, n-propanal, n-butanal, n-hexanal, n-octanal, and substituted benzaldehydes were cyclotrimerized into their corresponding 2,4,6-trialkyl-1,3, 5-trioxanes in the presence of commercial bulk zinc oxide at room temperature under neat conditions within a short span of time with high yield and excellent selectivity. Liquid products were formed as a separate phase and were decanted easily, whereas solid products were isolated by simple extraction. Effect of different additives, mol % of catalyst, kind of substrate, and reaction temperature were examined on the progress of cyclotrimerization reaction  

A highly chemoselective methodology is described for the N-methylation of functionalized anilines with dimethyl carbonate (MeOCO2Me, DMC) in the presence of ZrOCl2·8H2O. Dimethyl carbonate, which usually promotes methylation at T > 120 C and eventually under inert atmosphere, was activated in the presence of zirconium oxychloride for the desired transformation at 90 C under aerobic conditions. Aminophenols showed good reactivity in this transformation and produced the corresponding N-methylanilines, as the major products, with high selectivity. Catalyst reusability study confirmed that ZrOCl2·8H2O is a recyclable catalyst and its catalytic activity was remained unchanged at least after eight... 

Magnetically separable inorganic-organic hybrid material H 5PW10V2O40/pyridino-Fe 3O4 (HPA/TPI-Fe3O4) nanoparticles provide an efficient and economic route for the synthesis of substituted bis(indolyl)methanes by the electrophilic substitution of indole with various aldehydes and ketones under solvent-free conditions with excellent yields in <30 min. This catalyst was prepared by the chemically anchoring H 5PW10V2O40 onto Fe3O 4 nanoparticles via the use of N-[3-(triethoxysilyl)propyl] isonicotinamide (TPI) linker. High catalytic activity and ease of recovery using an external magnetic field are additional eco-friendly attributes of this new catalytic system. The catalyst was recycled at... 

An eco-friendly, simple, and effective protocol is developed for the synthesis of various multisubstituted 2-aminothiophenes. In the presence of a catalytic amount of ZnO (5 mol), ketones or aldehydes, malononitrile and elemental sulfur were converted to the corresponding 2-aminothiophene derivatives in moderate to high yields (27%-70%) under solvent-free conditions at 100 °C. Zinc oxide as an efficient, readily available, and reusable catalyst, showed very good catalytic activity for the synthesis of 2-aminothiophene derivatives. Thus far, little research has been reported on the Gewald reaction under solvent-free conditions; to the best of our knowledge, this is the first time that it has... 

Modeling and analysis of information system vulnerabilities helps us to predict possible attacks to networks using the network configuration and vulnerabilities information. As a fact, exploiting most of vulnerabilities result in access rights alteration. In this paper, we propose a new vulnerability analysis method based on the Take-Grant protection model. We extend the initial Take-Grant model to address the notion of vulnerabilities and introduce the vulnerabilities rewriting rules to specify how the protection state of the system can be changed by exploiting vulnerabilities. Our analysis is based on a bounded polynomial algorithm, which generates the closure of the Take-Grant graph... 

We study the translocation of stiff polymers through a nanopore, driven by the chemical-potential gradient exerted by binding proteins (chaperones) on the trans side of the pore. Bound chaperones prevent backsliding through the pore and, therefore, partially rectify the polymer passage. We show that the sequence of chain monomers with different binding affinity for the chaperones significantly affects the translocation dynamics. In particular, we investigate the effect of the nearest-neighbor adjacency probability of the two monomer types. Depending on the magnitude of the involved binding energies, the translocation speed may either increase or decrease with the adjacency probability. We... 

Combining the advection-diffusion equation approach with Monte Carlo simulations we study chaperone driven polymer translocation of a stiff polymer through a nanopore. We demonstrate that the probability density function of first passage times across the pore depends solely on the Péclet number, a dimensionless parameter comparing drift strength and diffusivity. Moreover it is shown that the characteristic exponent in the power-law dependence of the translocation time on the chain length, a function of the chaperone-polymer binding energy, the chaperone concentration, and the chain length, is also effectively determined by the Péclet number. We investigate the effect of the chaperone size on... 

The amount of rippling in graphene sheets is related to the interactions with the substrate or with the suspending structure. Here, we report on an irreversibility in the response to forces that act on suspended graphene sheets. This may explain why one always observes a ripple structure on suspended graphene. We show that a compression-relaxation mechanism produces static ripples on graphene sheets and determine a peculiar temperature Tc, such that for T