Search results for: Free square complexes

Authors: Ali Mutlu, Berrin Mutlu

Abstract:

In this paper we use the definition of CW basis of a free simplicial algebra. Using the free simplicial algebra, it is shown to construct free or totally free 2−crossed modules on suitable construction data with given a CW−basis of the free simplicial algebra. We give applications free crossed squares, free squared complexes and free 2−crossed complexes by using of 1(one) skeleton resolution of a step by step construction of the free simplicial algebra with a given CW−basis.

Keywords: Free crossed square, Free 2−crossed modules, Free simplicial algebra, Free square complexes, Free 2−crossed complexes CW−basis, 1−skeleton. A. M. S.Classification:[2000] 18D35, 18G30, 18G50, 18G55, 55Q05, 55Q20.

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Authors: Seung-Yeon Kim

Abstract:

The square-lattice Ising model is the simplest system showing phase transitions (the transition between the paramagnetic phase and the ferromagnetic phase and the transition between the paramagnetic phase and the antiferromagnetic phase) and critical phenomena at finite temperatures. The exact solution of the squarelattice Ising model with free boundary conditions is not known for systems of arbitrary size. For the first time, the exact solution of the Ising model on the square lattice with free boundary conditions is obtained after classifying all ) spin configurations with the microcanonical transfer matrix. Also, the phase transitions and critical phenomena of the square-lattice Ising model are discussed using the exact solution on the square lattice with free boundary conditions.

Keywords: Phase transition, Ising magnet, Square lattice, Freeboundary conditions, Exact solution.

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Authors: Abdul Halim Bhuiyan, M. A. Alim, Md. Nasir Uddin

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This paper is concerned with the effect of Hartmann number on the free convective flow in a square cavity with different positions of heated square block. The two-dimensional Physical and mathematical model have been developed, and mathematical model includes the system of governing mass, momentum and energy equations are solved by the finite element method. The calculations have been computed for Prandtl number Pr = 0.71, the Rayleigh number Ra = 1000 and the different values of Hartmann number. The results are illustrated with the streamlines, isotherms, velocity and temperature fields as well as local Nusselt number.

Keywords: Finite element method, free convection, Hartmann number, square cavity.

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Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea

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Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

Keywords: Dye removal, binding free energies, quantum calculation, docking.

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Authors: Kun Sri Budiasih, Chairil Anwar, Sri Juari Santosa, Hilda Ismail

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Some Chromium (III) complexes were synthesized with three amino acids: L Glutamic Acid, Glycine, and L-cysteine as the ligands, in order to provide a new supplement containing Cr(III) for patients with type 2 diabetes mellitus. The complexes have been prepared by refluxing a mixture of Chromium(III) chloride in aqueous solution with L-glutamic acid, Glycine, and L-cysteine after pH adjustment by sodium hydroxide. These complexes were characterized by Infrared and Uv-Vis spectrophotometer and Elemental analyzer. The product yields of four products were 87.50 and 56.76% for Cr-Glu complexes, 46.70% for Cr-Gly complex and 40.08% for Cr-Cys complex respectively. The predicted structure of the complexes are [Cr(glu)2(H2O)2].xH2O, Cr(gly)3..xH2O and Cr(cys)3.xH2O., respectively.

Keywords: Cr(III), L-Cysteine L-glutamic Acid, Glycine, complexation.

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Authors: Salem El-t. Ashoor, Ibtisam M. Ediab

Abstract:

Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC₃H₃(C₆H₂)NC₃H₃} (L1) or 4-4-amino phenazone {ONC₆H₅(NH)CH(NH₂} (L2) or diphenyl carbizon {HNNCO(NH)₂(C₆H₅)} (L3) with a Zirconium Salt {ZrOCl₂} in a 1:1 ratio to form complexes [{NC₃H₃(C₆H₂)NC₃H₃}ZrOCl₂}] [ZrOCl₂L₁], [{(O₂NC₆H₄(NH)(NH₂)}ZrOCl₂] [ZrOCl₂L₂] and [{HNNCO(NH)₂(C₆H₅)ZrOCl₂}] [ZrOCl₂L₃] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy.

These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.

Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial.

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Authors: Maryam Nejat Dehkordi, Per Lincoln, Hassan Momtaz

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Interaction of Schiff base complexes of Iron and Manganese: Iron [N, N’ Bis (5- (triphenyl phosphonium methyl) salicylidene) -1, 2 ethanediamine) chloride, [Fe Salen]Cl; Manganese [N, N’ Bis (5- (triphenyl phosphonium methyl) salicylidene) -1, 2 ethanediamine) acetate, were investigated by spectroscopic and isothermal titration calorimetry techniques (ITC). The absorbance spectra of complexes have shown hyper and hypochromism in the presence of DNA that is indication of interaction of complexes with DNA. The linear dichroism (LD) measurements confirmed the bending of DNA in the presence of complexes. Furthermore, Isothermal titration calorimetry experiments approved that complexes bound to DNA on the base of both electrostatic and hydrophobic interactions. More, ITC profile exhibits the existence of two binding phases for the complexes. Antibacterial activity of ligand and complexes were tested in vitro to evaluate their activity against the gram positive and negative bacteria.

Keywords: Schiff base complexes, Linear dichroism (LD), Isothermal titration calorimetry (ITC).

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Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

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Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

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Authors: S. Jani, M. Mahmoodi, M. Amini

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Magnetohydrodynamic free convection fluid flow and heat transfer in a square cavity filled with an electric conductive fluid with Prandtl number of 0.7 has been investigated numerically. The horizontal bottom wall of the cavity was kept at Th while the side and the top walls of the cavity were maintained at a constant temperature Tc with Th>Tc. The governing equations written in terms of the primitive variables were solved numerically using the finite volume method while the SIMPLER algorithm was used to couple the velocity and pressure fields. Using the developed code, a parametric study was performed, and the effects of the Rayleigh number and the Hartman number on the fluid flow and heat transfer inside the cavity were investigated. The obtained results showed that temperature distribution and flow pattern inside the cavity depended on both strength of the magnetic field and Rayleigh number. For all cases two counter rotating eddies were formed inside the cavity. The magnetic field decreased the intensity of free convection and flow velocity. Also it was found that for higher Rayleigh numbers a relatively stronger magnetic field was needed to decrease the heat transfer through free convection.

Keywords: Free Convection, Magnetic Field, Square Cavity, Numerical Simulation.

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Authors: Ishak Hashim, Ammar Alsabery

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The problem of conjugate free convection in a square cavity filled with nanofluid and heated from below by spatial wall temperature is studied numerically using the finite difference method. Water-based nanofluid with copper nanoparticles are chosen for the investigation. Governing equations are solved over a wide range of nanoparticle volume fraction (0 ≤ φ ≤ 0.2), wave number ((0 ≤ λ ≤ 4) and thermal conductivity ratio (0.44 ≤ Kr ≤ 6). The results presented for values of the governing parameters in terms of streamlines, isotherms and average Nusselt number. It is found that the flow behavior and the heat distribution are clearly enhanced with the increment of the non-uniform heating.

Keywords: Conjugate free convection, nanofluid, spatial temperature.

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Authors: Galina Mamardashvili, Nugzar Mamardashvili, Win Dehaen

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The processes of complexation of the Zn-tetraarylporphyrins with eight 4-(4-(3,6-bis(t-butyl)carbazol-9-yl-phenyl)-1,2,3-triazole (ZnP1) and eight 4-(4-(3,6-di-tert-butyl-9-H-carbazol-9-yl)phenoxy)methyl)-2,4,6-trimethylphenyl (ZnP2)with the 1,10-diaza-4,7,13,18tetraoxabicyclo[8.5.5]eicosane (L1),1,10-diaza-4,7,13,16,21,24-hexaoxabicyclo[8.8.8]hexacosane (L2)and 1,10-diaza-5,6,14,15-dibenzo-4,7,13,16,21,24 hexaoxabicyclo[8.8.8] hexacosane (L3) were investigated by the method of spectrophotometric titration and ¹H NMR-spectroscopy. We determined the structures of the host-guest complexes, and their stability constants in toluene were calculated. It was found out that the ZnP1 interacts with the guest molecules L1, L2 with the formation of stable "nest" type complexes and does not form similar complexes with the L3 (presumably due to the fact that the L3 does not match the size of the porphyrin ZnP(1) cavity). On the other hand, the porphyrin ZnP2 binds all of the ligands L1-L3, however complexes thus formed are less stable than complexes ZnP1-L1, ZnP1-L2. In the report, we will also discuss the influence of the alkali cations additives on the stability of the complexes between the porphyrin ZnP1, ZnP2 hosts and guest molecules of the ligands L1-L3.

Keywords: Porphyrin, cryptand, cation, complex guest-host.

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Authors: Dilek Nartop, Nurşen Sarı, Hatice Öğütçü

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Novel polystrene-bound Schiff bases and their Pt(IV) complexes have been prepared from condensation reaction of polystyrene-A-NH2 with 2-hydroxybenzaldehyde and 5-fluoro-3- bromo-2-hydroxybenzaldehyde. The structures of Pt(IV) complexes with polystyrene including Schiff bases have been determined by elemental analyses, magnetic susceptibility, IR, 1H-NMR, UV-vis, TG/DTA and AAS. The antibacterial and antifungal activities of the synthesized compounds have been studied by the well-diffusion method against some selected microorganisms: (Bacillus cereus spp., Listeria monocytogenes 4b, Micrococcus luteus, Staphylococcus aureus, Staphylococcus epidermis, Brucella abortus, Escherichia coli, Pseudomonas putida spp., Shigella dysenteria type 10, Salmonella typhi H).

Keywords: Polymer-bound Schiff bases, polystyrene-A-NH2, Pt(IV) complexes, biological activity.

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Authors: Dije Dehari, Ahmed Jashari, Shefket Dehari, Agim Shabani

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New complexes of nickel (II) have been synthesized in the reaction mixture of nickel (II) acetate and 4-hydroxy-2-oxo-2H-chromene-3-carboxamide. Bis(4-hydroxy-2-oxo-2H-chromene-3-carboxamidato-O,O)nickel (II) and diaquabis(4-hydroxy-2-oxo-2H-chromene-3-carboxamidato-O,O)nickel (II) were characterized by elemental analysis, IR spectroscopy and ESI mass spectrometry. Elemental analysis and mass spectrometry data of the complexes suggests the stoichiometry of 1:2 (metal-ligand).

Keywords: Nickel complexes, 4-hydroxy-2-oxo-2H-chromene-3-carboxamide, IR spectroscopy, mass spectrometry.

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Authors: Dhananjay C. Joshi, Jung-Hsin Lin

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Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: M. Shariati, N. Tahouni, A. Khoshgard, M.H. Panjeshahi

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Owing to extensive use of hydrogen in refining or petrochemical units, it is essential to manage hydrogen network in order to make the most efficient utilization of hydrogen. On the other hand, hydrogen is an important byproduct not properly used through petrochemical complexes and mostly sent to the fuel system. A few works have been reported in literature to improve hydrogen network for petrochemical complexes. In this study a comprehensive analysis is carried out on petrochemical units using a modified automated targeting technique which is applied to determine the minimum hydrogen consumption. Having applied the modified targeting method in two petrochemical cases, the results showed a significant reduction in required fresh hydrogen.

Keywords: Automated targeting, Hydrogen network, Petrochemical, Process integration.

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Authors: Shigeyuki Haruyama, Zefry Darmawan, Ken Kaminishi

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In the square tube subjected to the bending load, the rigidity of the entire square tube is reduced when a collapse occurs due to local stress concentration. Therefore, in this research, the influence of bending load on the square tube with attached energy absorbing part was examined and reported. The analysis was conducted by using Finite Element Method (FEM) to produced bending deflection and buckling points. Energy absorption was compared from rigidity of attached part and square tube body. Buckling point was influenced by the rigidity of attached part and the thickness rate of square tube.

Keywords: Square tube, bending stress, energy absorption, finite element analysis, rigidity.

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Authors: Keiji Komatsu, Tetsuo Sekiya, Ayumu Toyama, Atsushi Nakamura, Ikumi Toda, Shigeo Ohshio, Hiroyuki Muramatsu, Hidetoshi Saitoh, Atsushi Nakamura, Ariyuki Kato

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Yttrium oxide (Y2O3) films have been successfully deposited with yttrium-ethylenediamine tetraacetic acid (EDTA·Y·H) complexes prepared by various milling techniques. The effects of the properties of the EDTA·Y·H complex on the properties of the deposited Y2O3 films have been analyzed. Seven different types of the raw EDTA·Y·H complexes were prepared by various commercial milling techniques such as ball milling, hammer milling, commercial milling, and mortar milling. The milled EDTA·Y·H complexes exhibited various particle sizes and distributions, depending on the milling method. Furthermore, we analyzed the crystal structure, morphology and elemental distribution profile of the metal oxide films deposited on stainless steel substrate with the milled EDTA·Y·H complexes. Depending on the milling technique, the flow properties of the raw powders differed. The X-ray diffraction pattern of all the samples revealed the formation of Y2O3 crystalline phase, irrespective of the milling technique. Of all the different milling techniques, the hammer milling technique is considered suitable for fabricating dense Y2O3 films.

Keywords: Powder sizes and distributions, Flame spray coating techniques, Yttrium oxide.

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Authors: B. Y. Matmuratov, S. D. Madrakhimova. R. S. Esanov. A. D. Matchanov

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Supramolecular complexes of glycyrrhizic acid with kinetin in various molar ratios were obtained, physico-chemical parameters and spectral properties of the resulting complexes were studied (UV, IR, mass spectrometry.

Keywords: Monoammonium salt of glycyrrhizic acid, glycyrrhizic acid, supramolecular complex, isomolar series, IR spectroscopy.

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Authors: Babiga Birregah, Prosper K. Doh, Kondo H. Adjallah

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In this work we present some matrix operators named circulant operators and their action on square matrices. This study on square matrices provides new insights into the structure of the space of square matrices. Moreover it can be useful in various fields as in agents networking on Grid or large-scale distributed self-organizing grid systems.

Keywords: Pascal matrices, Binomial Recursion, Circulant Operators, Square Matrix Bipartition, Local Network, Parallel networks of agents.

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Authors: A. Rashid, N. Hasan

Abstract:

The present study investigates numerically the phenomenon of vortex-shedding and its suppression in twodimensional mixed convective flow past a square cylinder under the joint influence of buoyancy and free-stream orientation with respect to gravity. The numerical experiments have been conducted at a fixed Reynolds number (Re) of 100 and Prandtl number (Pr) of 0.71, while Richardson number (Ri) is varied from 0 to 1.6 and freestream orientation, α, is kept in the range 0o≤ α ≤ 90o, with 0o corresponding to an upward flow and 90o representing a cross-flow scenario, respectively. The continuity, momentum and energy equations, subject to Boussinesq approximation, are discretized using a finite difference method and are solved by a semi-explicit pressure correction scheme. The critical Richardson number, leading to the suppression of the vortex-shedding (Ric), is estimated by using Stuart-Landau theory at various free-stream orientations and the neutral curve is obtained in the Ri-α plane. The neutral curve exhibits an interesting non-monotonic behavior with Ric first increasing with increasing values of α upto 45o and then decreasing till 70o. Beyond 70o, the neutral curve again exhibits a sharp increasing asymptotic trend with Ric approaching very large values as α approaches 90o. The suppression of vortex shedding is not observed at α = 90o (cross-flow). In the unsteady flow regime, the Strouhal number (St) increases with the increase in Richardson number.

Keywords: bluff body, buoyancy, free-stream orientation, vortex-shedding.

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Authors: G. Arabaci

Abstract:

Heavy metals are one of the major groups of contaminants in the environment and many of them are toxic even at very low concentration in plants and animals. However, some metals play important roles in the biological function of many enzymes in living organisms. Metals such as zinc, iron, and cooper are important for survival and activity of enzymes in plants, however heavy metals can inhibit enzyme which is responsible for defense system of plants. Polyphenol oxidase (PPO) is a copper-containing metalloenzyme which is responsible for enzymatic browning reaction of plants. Enzymatic browning is a major problem for the handling of vegetables and fruits in food industry. It can be increased and effected with many different futures such as metals in the nature and ground. In the present work, PPO was isolated and characterized from green leaves of red poppy plant (Papaverr hoeas). Then, the effect of some known antibrowning agents which can form complexes with metals and metals were investigated on the red poppy PPO activity. The results showed that glutathione was the most potent inhibitory effect on PPO activity. Cu(II) and Fe(II) metals increased the enzyme activities however, Sn(II) had the maximum inhibitory effect and Zn(II) and Pb(II) had no significant effect on the enzyme activity. In order to reduce the effect of heavy metals, the effects of metal-antibrowning agent complexes on the PPO activity were determined. EDTA and metal complexes had no significant effect on the enzyme. L-ascorbic acid and metal complexes decreased but L-ascorbic acid-Cu(II)-complex had no effect. Glutathione–metal complexes had the best inhibitory effect on Red poppy leaf PPO activity.

Keywords: Inhibition, metal, red poppy, Polyphenol oxidase (PPO).

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Authors: Rochdi Omami, Mohamed Omami, Raouf Ouni

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Let n ≥ 3 be an integer and G2(n) be the subgroup of square roots of 1 in (Z/nZ)*. In this paper, we give an algorithm that computes a generating set of this subgroup.

Keywords: Group, modulo, square roots, unity.

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Authors: Kyu Han Kim, Soon Kyu Kwon, Heung Sun Yoon, Jong Tae Kim

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In this paper, we demonstrate the adaptive least-mean-square (LMS) filter modeling using SystemC. SystemC is a modeling language that allows designer to model both hardware and software component and makes it possible to design from high level system of abstraction to low level system of abstraction. We produced five adaptive least-mean-square filter models that are classed as five abstraction levels using SystemC proceeding from the abstract model to the more concrete model.

Keywords: Adaptive Filter, Least-Mean-Square Algorithm, SystemC, Transversal Fir Filter.

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Authors: Alireza Pouladkhan, Mohammad Yavari Foroushani, Ali Mortazavi

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This paper presents a finite element model for a Sandwich Plate containing a piezoelectric core. A sandwich plate with a piezoelectric core is constructed using the shear mode of piezoelectric materials. The orientation of poling vector has a significant effect on deflection and stress induced in the piezo-actuated adaptive sandwich plate. In the present study, the influence of this factor for a clamped-clamped-free-free and simple-simple-free-free square sandwich plate is investigated using Finite Element Method. The study uses ABAQUS (v.6.7) software to derive the finite element model of the sandwich plate. By using this model, the study gives the influences of the poling vector angle on the response of the smart structure and determines the maximum transverse displacement and maximum stress induced.

Keywords: Finite element method, Sandwich plate, Poling vector, Piezoelectric materials, Smart structure, Electric enthalpy.

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Authors: P. G. Siddheshwar, B. N. Veena

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Rayleigh-B´enard convection of a nanoliquid in shallow, square and tall enclosures is studied using the Khanafer-Vafai-Lightstone single-phase model. The thermophysical properties of water, copper, copper-oxide, alumina, silver and titania at 3000 K under stagnant conditions that are collected from literature are used in calculating thermophysical properties of water-based nanoliquids. Phenomenological laws and mixture theory are used for calculating thermophysical properties. Free-free, rigid-rigid and rigid-free boundary conditions are considered in the study. Intractable Lorenz model for each boundary combination is derived and then reduced to the tractable Ginzburg-Landau model. The amplitude thus obtained is used to quantify the heat transport in terms of Nusselt number. Addition of nanoparticles is shown not to alter the influence of the nature of boundaries on the onset of convection as well as on heat transport. Amongst the three enclosures considered, it is found that tall and shallow enclosures transport maximum and minimum energy respectively. Enhancement of heat transport due to nanoparticles in the three enclosures is found to be in the range 3% - 11%. Comparison of results in the case of rigid-rigid boundaries is made with those of an earlier work and good agreement is found. The study has limitations in the sense that thermophysical properties are calculated by using various quantities modelled for static condition.

Keywords: Enclosures, free-free, rigid-rigid and rigid-free boundaries, Ginzburg-Landau model, Lorenz model.

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Authors: M. Michael Gromiha, Kiyonobu Yokota, Kazuhiko Fukui

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We have developed an energy based approach for identifying the binding sites and important residues for binding in protein-protein complexes. We found that the residues and residuepairs with charged and aromatic side chains are important for binding. These residues influence to form cation-¤Ç, electrostatic and aromatic interactions. Our observation has been verified with the experimental binding specificity of protein-protein complexes and found good agreement with experiments. The analysis on surrounding hydrophobicity reveals that the binding residues are less hydrophobic than non-binding sites, which suggests that the hydrophobic core are important for folding and stability whereas the surface seeking residues play a critical role in binding. Further, the propensity of residues in the binding sites of receptors and ligands, number of medium and long-range contacts, and influence of neighboring residues will be discussed.

Keywords: Protein-protein interactions, energy based approach;binding sites, propensity, long-range contacts, hydrophobicity

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Authors: M. Baryshev, D.Vainauska, S. Kozireva, A.Karpovs

Abstract:

Liposomal magnetofection is the most powerful nonviral method for the nucleic acid delivery into the cultured cancer cells and widely used for in vitro applications. Use of the static magnetic field condition may result in non-uniform distribution of aggregate complexes on the surface of cultured cells. To prevent this, we developed the new device which allows to concentrate aggregate complexes under dynamic magnetic field, assisting more contact of these complexes with cellular membrane and, possibly, stimulating endocytosis. Newly developed device for magnetofection under dynamic gradient magnetic field, “DynaFECTOR", was used to compare transfection efficiency of human liver hepatocellular carcinoma cell line HepG2 with that obtained by lipofection and magnetofection. The effect of two parameters on transfection efficiency, incubation time under dynamic magnetic field and rotation frequency of magnet, was estimated. Liposomal magnetofection under dynamic gradient magnetic field showed the highest transfection efficiency for HepG2 cells.

Keywords: Dynamic magnetic field, Lipofection, Magnetofection

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Authors: Dezhi Liu

Abstract:

In the paper, based on stochastic analysis theory and Lyapunov functional method, we discuss the mean square stability of impulsive stochastic delay differential equations with markovian switching and poisson jumps, and the sufficient conditions of mean square stability have been obtained. One example illustrates the main results. Furthermore, some well-known results are improved and generalized in the remarks.

Keywords: Impulsive, stochastic, delay, Markovian switching, Poisson jumps, mean square stability.

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Authors: Laila Ozola, Evita Straumite, Ruta Galoburda, Dace Klava

Abstract:

Celiac disease is an immune-mediated disease, triggered in genetically susceptible individuals by ingested gluten from wheat, rye, barley and other closely related cereal grains. The only effective treatment is a strict gluten free diet for life. Latvian producers do not offer gluten-free products. In this research, use of extruded maize flour was tested for substituting rice, maize or buckwheat flour in gluten-free bread formulations at different ratios. Also the influence of extruded maize flour on the quality parameters of gluten-free bread was investigated. The aim of research was to study the influence of extruded maize flour on gluten-free bread quality. Addition of extruded maize flour affect gluten-free bread crumb color, structure of crumb, weight loss and dry off of bread.

Keywords: extruded maize flour, gluten-free bread, quality

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