Sharif Digital Repository

An hydrazone Schiff base-iron(III) complex using salicylidene benzoyl hydrazine (L) as ligand has been synthesized and characterized by elemental analyses, IR, 1H and 13C NMR and UV-Vis spectroscopy. Oxidation of sulfides to sulfoxides in one-step was conducted by this complex catalyst using urea hydrogen peroxide (UHP) in mixture of CH2Cl2/CH3OH (1:1) under air at room temperature. The effect of the reaction conditions on the oxidation of methylphenylsulfide was studied by varying the amount of the catalyst, reaction temperature, reaction time and the amount of UHP. The results showed that using this system in the oxidation of sulfides, sulfoxides were obtained as the main products,... 

27Al NMR spectroscopy is a powerful tool for the study of coordination and solvation in both aqueous and nonaqueous solutions. In this study, the complexes coexisting upon dissolution of AlCl3 in acidic acetone + methanol solutions are shown to consist essentially of mixed hexacoordinated species of the general formula [Al(CH3OH) 6-n (CH3COCH3) n ]3+ (n=1,2 and 3), all exhibiting distinctly different 27Al shielding effects. The relative populations of the various mixed species are found to be highly dependent upon the acetone:methanol mole ratio that in the more acetone-rich mixtures with aluminum become appreciably coordinated by acetone. The results demonstrate that the key factor for the... 

In view of better understanding interactions of amino acids and peptides with metallic cations in the isolated state, the model system histidineM 2+ (M2+ = Mg2+, Ca2+, Zn 2+) has been studied theoretically. The computations have been performed with the help of the density functional theory (DFT) and the B3LYP functional. The extended basis set was the standard 6-311++G**. All the molecular complexes obtained by the interaction between several energetically low-lying tautomers/conformers/zwitterions of histidine and the cations on different binding sites were considered. Our study shows that complexes of histidine with Mg2+, Ca2+, Zn2+ are rather similar. In the isolated state, the most... 

Reaction of 2-pyridinecarboxaldehyde with L-Alaninol (as a chiral amine) or 2-amino-2-methyl-1-propanol (AMP) in the presence of PdCl2 produced the new and attractive palladium(II) complexes which were synthesized by in situ method. The presence of an extra methyl group in AMP other than L-Alaninol induced the different chelating mode and, therefore, several structurally different palladium complexes obtained. Correspondingly, the chiral amine with PdCl2 produced the imine product, (Iminol (1)), and an oxazolidine compound (Imizol (1′)) as minor product. Also, the use of AMP in formation of palladium complexes led to the synthesis of imine (Ampynol (2)) and oxazolidine (Ampyzol (3))... 

A Bernoulli Mixture Model (BMM) is a finite mixture of random binary vectors with independent dimensions. The problem of clustering BMM data arises in a variety of real-world applications, ranging from population genetics to activity analysis in social networks. In this paper, we analyze the clusterability of BMMs from a theoretical perspective, when the number of clusters is unknown. In particular, we stipulate a set of conditions on the sample complexity and dimension of the model in order to guarantee the Probably Approximately Correct (PAC)-clusterability of a dataset. To the best of our knowledge, these findings are the first non-asymptotic bounds on the sample complexity of learning or... 

In ecological systems, heterogeneous interactions between pathogens take place simultaneously. This occurs, for instance, when two pathogens cooperate, while at the same time, multiple strains of these pathogens co-circulate and compete. Notable examples include the cooperation of human immunodeficiency virus with antibiotic-resistant and susceptible strains of tuberculosis or some respiratory infections with Streptococcus pneumoniae strains. Models focusing on competition or cooperation separately fail to describe how these concurrent interactions shape the epidemiology of such diseases. We studied this problem considering two cooperating pathogens, where one pathogen is further structured... 

The combined action of ultraviolet irradiation and microwave heating onto acetonitrile solution of [Re((Formula presented.))(CO)3(NCMe)]OTf ((Formula presented.) =phenantroline and neocuproine) afforded cis,trans-Re((Formula presented.))(CO)2(NCMe)2]+ acetonitrile derivatives. Substitution of relatively labile NCMe with a series of aromatic N-donor ligands (pyridine, pyrazine, 4,4’-bipyridine, N-methyl-4,4’-bipyridine) gave a novel family of the diimine cis,trans-[Re((Formula presented.))(CO)2(L)2]+ complexes. Photophysical studies of the obtained compounds in solution revealed unusually high absorption across the visible region and NIR phosphorescence with emission band maxima ranging from... 

This article describes the synthesis and characterization of oxovanadium(IV) complexes containing tetradentate Schiff-base ligands derived from condensation of ethylenediamine, meso-1,2-diphenyl-1,2-ethylenediamine, 1,2-orthophenylenediamine and 1,2-cyclohexanediamine with 5-bromo-3-nitro-2- hydroxybenzaldehyde. The novel VOL1:[VO(5-Br-3-NO2salen)], VOL2:[VO(5-Br-3-NO2saloph)] and VOL3:[VO(5-Br- 3-NO2salchxn)] complexes were obtained in orange polymeric form with (V=O) stretching bands at 878, 884 and 884 cm-1, respectively, but the VOL4 complex was obtained as a green monomer with (V=O) stretching band at 978 cm-1. The redox process in acetonitrile was reversible for VOL4 and E° was... 

Microbiological analyses of soil chronically exposed to petroleum complex compounds of some oil springs in south of Iran resulted in isolation and purification of a new native thermophilic strain which is capable to desulfurize petroleum sulfur compounds by 4-S mechanism. Dibenzothiophene (DBT) was selected as a complex sulfiir compound model and many experiments were done to identify the metabolic pathway. The results of these experiments show that DBT is ultimately converted to 2-hydroxybiphenyl (2-HBP) and sulfite. This is a special metabolic pathway in that there is no effect on the carbon skeleton of organic compounds and would be ideal for desulfurization to upgrade the petroleum... 

Nowadays, security has become an important issue for organizations especially in e-commerce applications. The spreading of networks and increasing of their complexity has complicated the task of security analysis, therefore automatic approaches have received more attention recently. This paper proposes a model-based approach to analyze the overall security of a network, based on the interaction of hosts within the network. A simple language is introduced far modeling securityrelated behaviours of networks and systems. Using the language, a case study is described and its formal model and security properties are presented. © 2004 IEEE  

Under experimental conditions in which the self-association of the adenine phosphates (AP), that is, of adenosine 5′-monophosphate (AMP2-) and adenosine 5′-diphosphate (ADP3-), is negligible, potentiometric pH titrations were carried out to determine the stabilities of the M(H;AP) and M(AP) complexes where M2+=Mg2+, Ca2+, Sr2+, Ba2+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+, or Cd2+ (25°C; I = 0.1m, NaNO3). It is concluded that in the M(H;AMP)+ species M2+ is bound at the adenine moiety and in the M(H;ADP) complexes at the diphosphate unit; however, the proton resides in both types of monoprotonated complexes at the phosphate residue. The stabilities of nearly all the M(AMP) and M(ADP)- complexes are... 

Cyclic voltammetry and transient time (τ) measurements have been used to characterize the system, while potentiostatic I-t transients have been recorded to obtain the nucleation and growth mechanism. The electrodeposition of nickel, iron and nickel-iron alloys on the platinum was studied by electrochemical techniques in the presence of complexing compounds. The cyclic voltammetry results clearly show that the electrodeposition of nickel, iron and nickel-iron alloys is a diffusion-controlled process with a typical nucleation mechanism. The redox potentials of the Ni and Fe are shifted to more cathodic potentials in the complexing electrolytes. In addition, the current transients reveal that... 

One of the major goals of Artificial Life is to know 'life-as-it-could-be'. Several platforms for ALife simulations are presented but not all are suitable for every cognitive study in ALife. Platforms designed for studying the origin of life are based on a world of simple rules and simple objects, capable of producing complex organisms. But such worlds are not suitable for cognitive studies focused on complex behaviors, because they are too slow for emergence and simulation of such behaviors. A platform called Zamin is presented, which is believed to be fast, expandable, realistic, and suitable for cognitive simulations aimed to study the emergence of complex behaviors. © Springer-Verlag... 

The direct electrosynthesis of neutral copper(II) and zinc(II) complexes of a new unsymmetrical carboxamide ligand, N,N′-bis(2-pyridinecarboxamide)-2-aminobenzylamine (H2bpabza) derived from 2-pyridinecarboxylic acid and 2-aminobenzylamine, was accomplished by electrochemical oxidation of anodic metals (copper and zinc) in an acetonitrile solution of the ligand. These compounds were characterized by elemental analyses and different spectroscopic methods. The crystal and molecular structures of the ligand, H2bpabza, and its copper complex, Cu(bpabza), were determined by X-ray diffraction. The copper atom adopts a distorted square-pyramidal (4 + 1) CuN2N′N″O coordination geometry with bpabza2-... 

Series of quaternary ammonium salts of substituted five-membered-ring iron complexes were prepared by reaction of allyl(cyclopentadienyl)iron(II) dicarbonyl with iminium salts. Also, reactions of allyl-(cyclopentadienyl) iron(II) dicarbonyl with in situ prepared iminium salts afford the same products in good to excellent isolated yields. © 2007 American Chemical Society  

Edit distance is one of the most fundamental problems in combinatorial optimization to measure the similarity between strings. Ulam distance is a special case of edit distance where no character is allowed to appear more than once in a string. Recent developments have been very fruitful for obtaining fast and parallel algorithms for both edit distance and Ulam distance. In this work, we present an almost optimal MPC (massively parallel computation) algorithm for Ulam distance and improve MPC algorithms for edit distance. Our algorithm for Ulam distance is almost optimal in the sense that (1) the approximation factor of our algorithm is $1+epsilon$1+ϵ, (2) the round complexity of our... 

Suppose we have a family F of sets. For every S∈F, a set D⊆S is a defining set for (F,S) if S is the only element of F that contains D as a subset. This concept has been studied in numerous cases, such as vertex colorings, perfect matchings, dominating sets, block designs, geodetics, orientations, and Latin squares. In this paper, first, we propose the concept of a defining set of a logical formula, and we prove that the computational complexity of such a problem is Σ2-complete. We also show that the computational complexity of the following problem about the defining set of vertex colorings of graphs is Σ2-complete: INSTANCE: A graph G with a vertex coloring c and an integer k.QUESTION: If... 

Two series of the novel unsymmetrical diimino tetradentate Schiff bases derived from phenylenediamine and 1,3-naphthalene diamine and their vanadyl complexes were synthesized by template and non-template methods and characterized by 1H, 13C NMR, IR, UV-Vis and elemental analysis. These complexes are used as catalysts for the selective aerobic oxidation of cyclohexene. The catalytic activity increases as the number of electron-donor groups decreases, and the catalytic selectivity is varied by changing the substituents on the ligands. The catalytic system described here is an efficient and inexpensive method for the oxidation of olefins, with the advantages of high activity, selectivity,...