Search results for: Schiff base complexes
860 Comparative DNA Binding of Iron and Manganese Complexes by Spectroscopic and ITC Techniques and Antibacterial Activity
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).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2598859 Pt(IV) Complexes with Polystrene-bound Schiff Bases as Antimicrobial Agent: Synthesis and Characterization
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1982858 Evaluation of the Inhibitive Effect of Novel Quinoline Schiff Base on Corrosion of Mild Steel in HCl Solution
Authors: Smita Jauhari, Bhupendra Mistry
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Schiff base (E)-2-methyl-N-(tetrazolo[1,5-a]quinolin-4-ylmethylene)aniline (QMA) was synthesized, and its inhibitive effect for mild steel in 1N HCl solution was investigated by weight loss measurement and electrochemical tests. From the weight loss measurements and electrochemical tests, it was observed that the inhibition efficiency increases with the increase in the Schiff base concentration and reaches a maximum at the optimum concentration. This is further confirmed by the decrease in corrosion rate. It is found that the system follows Langmuir adsorption isotherm.
Keywords: Schiff base, acid corrosion, electrochemical impedance spectroscopy, polarization.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1885857 Synthesis and Characterization of New Thermotropic Liquid Crystals Derived from 4-Hydroxybenzaldehyde
Authors: Sie-Tiong Ha, Teck-Leong Lee, Yip-Foo Win, Siew-Ling Lee, Guan-Yeow Yeap
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A homologous series of aromatic esters, 4-nalkanoyloxybenzylidene- 4--bromoanilines, nABBA, consisting of two 1,4-disubstituted phenyl cores and a Schiff base central linkage was synthesized. All the members can be differed by the number of carbon atoms at terminal alkanoyloxy chain (CnH2n-1COO-, n = 2, 6, 18). The molecular structure of nABBA was confirmed with infrared spectroscopy, nuclear magnetic resonance (NMR) spectroscopy and electron-ionization mass (EI-MS) spectrometry. Mesomorphic properties were studied using differential scanning calorimetry and polarizing optical microscopy.Keywords: Liquid Crystals, Schiff base, Smectic, Mesomorphic
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2432856 Synthesis and Antimicrobial Profile of Newer Schiff Bases and Thiazolidinone Derivatives
Authors: N. K. Fuloria, S. Fuloria, R. Gupta
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Esterification of p-bromo-m-cresol led to formation of 2-(4-bromo-3-methylphenoxy)acetate (1). 2-(4-Bromo-3-methyl phenoxy)acetohydrazide (2) is derived from Compound (1) by hydrazination. Compound (2) was reacted with different aromatic aldehydes to yield N-(substituted benzylidiene)-2-(4-bromo-3-methyl phenoxy)acetamide(3a-c). Cyclization of compound (3a-c) with thioglycolic acid yielded 2-(4-bromo-3-methylphenoxy)-N-(4-oxo-2- arylthiazolidin-3-yl) acetamide (4a-c). The newly synthesized compounds were characterized on the basis of spectral studies and evaluated for antibacterial and antifungal activities.
Keywords: Imines, Thiazolidinone, Schiff base, Antimicrobial.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2603855 Synthesis and Characterization of Chromium (III) Complexes with L-Glutamic Acid, Glycine and LCysteine
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5149854 Synthesis, Investigation, DFT Study and Biological Activity of Zirconium (IV) Complexes
Authors: Salem El-t. Ashoor, Ibtisam M. Ediab
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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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1862853 Investigation on Metalosalen Complexes Binding to DNA using Ab Initio Calculations
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).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1625852 Binding Ability of Carbazolylphenyl Dendrimers with Zinc (II) Tetraphenylporphyrin Core towards Cryptands
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 762851 New Complexes of Nickel (II) Using 4-Hydroxy-2-Oxo-2H-Chromene-3-Carboxamide as Ligand
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2232850 1−Skeleton Resolution of Free Simplicial Algebras with Given CW−Basis
Authors: Ali Mutlu, Berrin Mutlu
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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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1102849 DFT Study of Half Sandwich of Vanadium (IV) Cyclopentadienyl Complexes
Authors: Salem El-tohami Ashoor
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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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2008848 Hydrogen Integration in Petrochemical Complexes, Using Modified Automated Targeting Method
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1669847 Optimization of a Triangular Fin with Variable Fin Base Thickness
Authors: Hyung Suk Kang
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A triangular fin with variable fin base thickness is analyzed and optimized using a two-dimensional analytical method. The influence of fin base height and fin base thickness on the temperature in the fin is listed. For the fixed fin volumes, the maximum heat loss, the corresponding optimum fin effectiveness, fin base height and fin tip length as a function of the fin base thickness, convection characteristic number and dimensionless fin volume are represented. One of the results shows that the optimum heat loss increases whereas the corresponding optimum fin effectiveness decreases with the increase of fin volume.Keywords: A triangular fin, Convection characteristic number, Heat loss, Fin base thickness.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4123846 Design Method for Knowledge Base Systems in Education Using COKB-ONT
Authors: Nhon Do, Tuyen Trong Tran, Phan Hoai Truong
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Nowadays e-Learning is more popular, in Vietnam especially. In e-learning, materials for studying are very important. It is necessary to design the knowledge base systems and expert systems which support for searching, querying, solving of problems. The ontology, which was called Computational Object Knowledge Base Ontology (COB-ONT), is a useful tool for designing knowledge base systems in practice. In this paper, a design method for knowledge base systems in education using COKB-ONT will be presented. We also present the design of a knowledge base system that supports studying knowledge and solving problems in higher mathematics.Keywords: artificial intelligence, knowledge base systems, ontology, educational software.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2043845 Synthesis of Y2O3 Films by Spray Coating with Milled EDTA·Y·H Complexes
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2628844 Analysis of the Supramolecular Complex of Kinetin with Glycyrrhizic Acid Using the Chromatography Mass Spectrometry Method
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 355843 Study of Base-Isolation Building System
Authors: G. W. Ni, Y. M. Zhang, D. L. Jiang, J. N. Chen, B. Liu
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In order to improve the effect of isolation structure, the principles and behaviours of the base-isolation system are studied, and the types and characteristics of the base-isolation are also discussed. Compared to the traditional aseismatic structures, the base isolation structures decrease the seismic response obviously: the total structural aseismatic value decreases to 1/4-1/32 and the seismic shear stress in the upper structure decreases to 1/14-1/23. In the huge seism, the structure can have an obvious aseismatic effect.Keywords: Base-isolation, earthquake wave, dynamic response.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2353842 Investigations of Metals and Metal-Antibrowning Agents Effects on Polyphenol Oxidase Activity from Red Poppy Leaf
Authors: G. Arabaci
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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).
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3463841 Synthesis of Unconventional Materials Using Chitosan and Crown Ether for Selective Removal of Precious Metal Ions
Authors: Rabindra Prasad Dhakal, Tatsuya Oshima, Yoshinari Baba
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The polyfunctional and highly reactive bio-polymer, the chitosan was first regioselectively converted into dialkylated chitosan using dimsyl anionic solution(NaH in DMSO) and bromodecane after protecting amino groups by phthalic anhydride. The dibenzo-18-crown-6-ether, on the other hand, was converted into its carbonyl derivatives via Duff reaction prior to incorporate into chitosan by Schiff base formation. Thus formed diformylated dibenzo-18-crown-6-ether was condensed with lipophilic chitosan to prepare the novel solvent extraction reagent. The products were characterized mainly by IR and 1H-NMR. Hence, the multidentate crown ether-embedded polyfunctional bio-material was tested for extraction of Pd(II) and Pt(IV) in aqueous solution.Keywords: Lipophilic chitosan, Duff reaction, crown ether and precious metal ions extraction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1886840 Cooperative Scheme Using Adjacent Base Stations in Wireless Communication
Authors: Young-Min Ko, Seung-Jun Yu, Chang-Bin Ha, Hyoung-Kyu Song
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In a wireless communication system, the failure of base station can result in a communication disruption in the cell. This paper proposes a way to deal with the failure of base station in a wireless communication system based on OFDM. Cooperative communication of the adjacent base stations can be a solution of the problem. High performance is obtained by the configuration of transmission signals which is applied CDD scheme in the cooperative communication. The Cooperative scheme can be a e ective solution in case of the particular situation.Keywords: Base station, CDD, OFDM, Diversity gain, MIMO.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1901839 Identification and Analysis of Binding Site Residues in Protein-Protein Complexes
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
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1398838 New Device for Enhancement of Liposomal Magnetofection Efficiency of Cancer Cells
Authors: M. Baryshev, D.Vainauska, S. Kozireva, A.Karpovs
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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
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1762837 Effect of Base Coarse Layer on Load-Settlement Characteristics of Sandy Subgrade Using Plate Load Test
Authors: A. Nazeri, R. Ziaie Moayed, H. Ghiasinejad
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The present research has been performed to investigate the effect of base course application on load-settlement characteristics of sandy subgrade using plate load test. The main parameter investigated in this study was the subgrade reaction coefficient. The model tests were conducted in a 1.35 m long, 1 m wide, and 1 m deep steel test box of Imam Khomeini International University (IKIU Calibration Chamber). The base courses used in this research were in three different thicknesses of 15 cm, 20 cm, and 30 cm. The test results indicated that in the case of using base course over loose sandy subgrade, the values of subgrade reaction coefficient can be increased from 7 to 132 , 224 , and 396 in presence of 15 cm, 20 cm, and 30 cm base course, respectively.
Keywords: Base course, calibration chamber, plate load test, loose sand, subgrade reaction coefficient.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1181836 Numerical Study of Base Drag Reduction Using Locked Vortex Flow Management Technique for Lower Subsonic Regime
Authors: Kailas S. Jagtap, Karthik Sundarraj, Nirmal Kumar, S. Rajnarasimha, Prakash S. Kulkarni
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The issue of turbulence base streams and the drag related to it have been of important attention for rockets, missiles, and aircraft. Different techniques are used for base drag reduction. This paper presents the numerical study of numerous drag reduction technique. The base drag or afterbody drag of bluff bodies can be reduced easily using locked vortex drag reduction technique. For bluff bodies having a cylindrical shape, the base drag is much larger compared to streamlined bodies. For such bodies using splitter plates, the vortex can be trapped between the base and the plate, which results in smooth flow. Splitter plate with round and curved corner shapes has influence in drag reduction. In this paper, the comparison is done between single splitter plate as different positions and with the bluff body. Base drag for the speed of 30m/s can be reduced about 20% to 30% by using single splitter plate as compared to the bluff body.
Keywords: Base drag, bluff body, splitter plate, vortex flow, ANSYS, Fluent.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 922835 Compatibility of Integrated Satellite Systems with Another Satellite System Operating in Adjacent Beam
Authors: Hyemi Gam, Dae-Sub Oh, Bon-Jun Ku
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This paper addresses the analysis of the interference between complementary ground component (CGC) base station and mobile earth station (MES). In the frequency sharing scenario between CGC base station and MES, the interference from the adjacent beams must be considered. In this paper, we estimated the interference to MES of an integrated satellite system and the result is presented as the carrier to interference ratio(C/I) with respect to the number of CGC base station in the adjacent beam and the ratio of satellite beam center radius to the total beam radius (R1/R). By using these results, we can determine the minimum separation distance between the CGC base stations of adjacent beam and MES for compatibility. This result can be applied to the CGC base station of an integrated satellite system for the effective frequency sharing.
Keywords: Integrated satellite system, interference, frequency reuse pattern, CGC base station, MES, frequency sharing.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1784834 A New Version of Annotation Method with a XML-based Knowledge Base
Authors: Mohammad Yasrebi, Somayeh Khosravi
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Machine-understandable data when strongly interlinked constitutes the basis for the SemanticWeb. Annotating web documents is one of the major techniques for creating metadata on the Web. Annotating websitexs defines the containing data in a form which is suitable for interpretation by machines. In this paper, we present a better and improved approach than previous [1] to annotate the texts of the websites depends on the knowledge base.Keywords: Knowledge base, ontology, semantic annotation, XML.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1570833 Inverse Dynamics of the Mould Base of Blow Molding Machines
Authors: Vigen Arakelian
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This paper deals with the study of devices for displacement of the mould base of blow-molding machines. The displacement of the mould in the studied case is carried out by a linear actuator, which ensures the descent of the mould base and by extension springs, which return the letter in the initial position. The aim of this paper is to study the inverse dynamics of the device for displacement of the mould base of blow-molding machines and to determine its optimum parameters for higher rate of production. In the other words, it is necessary to solve the inverse dynamic problem to find the equation of motion linking applied forces with displacements. This makes it possible to determine the stiffness coefficient of the spring to turn the mold base back to the initial position for a given time. The obtained results are illustrated by a numerical example. It is shown that applying a spring with stiffness returns the mould base of the blow molding machine into the initial position in 0.1 sec.Keywords: Design, blow-molding machines, dynamics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 692832 Prediction of Binding Free Energies for Dyes Removal Using Computational Chemistry
Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea
Abstract:
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 722831 Verification of the Simultaneous Local Extraction Method of Base and Thermal Resistance of Bipolar Transistors
Authors: Robert Setekera, Luuk Tiemeijer, Ramses van der Toorn
Abstract:
In this paper an extensive verification of the extraction method (published earlier) that consistently accounts for self-heating and Early effect to accurately extract both base and thermal resistance of bipolar junction transistors is presented. The method verification is demonstrated on advanced RF SiGe HBTs were the extracted results for the thermal resistance are compared with those from another published method that ignores the effect of Early effect on internal base-emitter voltage and the extracted results of the base resistance are compared with those determined from noise measurements. A self-consistency of our method in the extracted base resistance and thermal resistance using compact model simulation results is also carried out in order to study the level of accuracy of the method.
Keywords: Avalanche, Base resistance, Bipolar transistor, Compact modeling, Early voltage, Thermal resistance, Self-heating, parameter extraction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2050