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  1. CATALYTIC ENANTIOSELECTIVE CONJUGATE ADDITION OF DIETHYLZINC USING NI(II) DAIB COMPLEXES

    NARCIS (Netherlands)

    JANSEN, JFGA; FERINGA, BL

    The conjugate addition of diethylzinc to chalcone, catalyzed by a NiII complex of the chiral amino-alcohol (-)-DAIB, resulted in the formation of (R)-1,3-diphenyl-penta-1-one with enantiomeric excess up to 85%.

  2. A mixed Ni(II) ionic complex containing V-shaped water trimer ...

    Indian Academy of Sciences (India)

    A mixed Ni(II) ionic complex containing V-shaped water trimer: Synthesis, spectral, structural and ... bonding interaction between three lattice water molecule forms a V-shaped trimer (H2O)3 which gives rise to a. 1-D polymeric structure in the ... with organic ligands should be handled with care as they can cause explosion.

  3. A mixed Ni(II) ionic complex containing V-shaped water trimer ...

    Indian Academy of Sciences (India)

    A mixed Ni(II) ionic complex containing V-shaped water trimer: Synthesis, spectral, structural and thermal properties of. {[Ni(2,2. ′. -bpy)3][Ni(2-cpida)(2,2. ′. -bpy)]} (ClO4).3H2O. NALLASAMY PALANISAMIa, KABALI SENTHILKUMARb, MOHAN GOPALAKRISHNANb and IL-SHIK MOONa,∗. aDepartment of Chemical ...

  4. Chemical speciation of L-glutamine complexes with Co(II), Ni(II) and ...

    African Journals Online (AJOL)

    The impact of cationic micelles on the protonation equilibria of L-glutamine and chemical speciation of its complexes with Co(II), Ni(II) and Cu(II) have been studied by monitoring hydrogen ion concentration pH metrically at 303 K and at an ionic strength of 0.16 M. The protonation constants and binary stability constants ...

  5. Studies of Ni(II) & Cu(II) complexes with ampicillin | Guru | Nigerian ...

    African Journals Online (AJOL)

    Ni(II) and Cu(II) complex with ampicillin have been synthesized and characterized. On the basis of elemental analysis and molar conductance, formulas Ni(C16H19 N3O4S)MoO4H2O and Cu(C16H19N3O4S)MoO4H2O have been suggested for the complexes under study. The geometries of the complexes have been ...

  6. Structural characterization and antioxidant properties of Cu(II) and Ni(II) complexes derived from dicyandiamide

    Science.gov (United States)

    Kertmen, Seda Nur; Gonul, Ilyas; Kose, Muhammet

    2018-01-01

    New Cu(II) and Ni(II) complexes derived from dicyandiamide were synthesized and characterised by spectroscopic and analytical methods. Molecular structures of the complexes were determined by single crystal X-ray diffraction studies. In the complexes, the Cu(II) or Ni(II) ions are four-coordinate with a slight distorted square planar geometry. The ligands (L-nPen and L-iPen) derived from dicyandiamide formed via nucleophilic addition of alcohol solvent molecule in the presence Cu(II) or Ni(II) ions. Complexes were stabilised by intricate array of hydrogen bonding interactions. Antioxidant activity of the complexes was evaluated by DPPH radical scavenging and CUPRAC methods. The complexes exhibit antioxidant activity, however, their activities were much lower than standard antioxidants (Vitamin C and trolox).

  7. Computational studies of a paramagnetic planar dibenzotetraaza[14]annulene Ni(II) complex.

    Science.gov (United States)

    Rabaâ, Hassan; Khaledi, Hamid; Olmstead, Marilyn M; Sundholm, Dage

    2015-05-28

    A square-planar Ni(II) dibenzotetraaza[14]annulene complex substituted with two 3,3-dimethylindolenine groups in the meso positions has recently been synthesized and characterized experimentally. In the solid-state, the Ni(II) complex forms linear π-interacting stacks with Ni···Ni separations of 3.448(2) Å. Measurements of the temperature dependence of the magnetic susceptibility revealed a drastic change in the magnetic properties at a temperature of 13 K, indicating a transition from low-to-high spin states. The molecular structures of the free-base ligand, the lowest singlet, and triplet states of the monomer and the dimer of the Ni complex have been studied computationally using density functional theory (DFT) and ab initio correlation levels of theory. In calculations at the second-order Møller-Plesset (MP2) perturbation theory level, a large energy of 260 kcal mol(-1) was obtained for the singlet-triplet splitting, suggesting that an alternative explanation of the observed magnetic properties is needed. The large energy splitting between the singlet and triplet states suggests that the observed change in the magnetism at very low temperatures is due to spin-orbit coupling effects originating from weak interactions between the fine-structure states of the Ni cations in the complex. The lowest electronic excitation energies of the dibenzotetraaza[14]annulene Ni(II) complex calculated at the time-dependent density functional theory (TDDFT) levels are in good agreement with values deduced from the experimental UV-vis spectrum. Calculations at the second-order algebraic-diagrammatic construction (ADC(2)) level on the dimer of the meso-substituted 3,3-dimethylindolenine dibenzotetraaza[14] annulene Ni(II) complex yielded Stokes shifts of 85-100 nm for the lowest excited singlet states. Calculations of the strength of the magnetically induced ring current for the free-base 3,3-dimethylindolenine-substituted dibenzotetraaza[14]annulene show that the annulene

  8. and ni(ii)

    African Journals Online (AJOL)

    userpc

    NI(II) COMPLEXES WITH SCHIFF BASE DERIVED FROM SULPHANILAMINE AND. SALICYLALDEHYDE. ⃰Siraj, I. T. and ... with nickel(II) and cobalt(II) chloride in 2:1 mole ratio yielded Ni(II) and Co(II) complexes respectively. The synthesized .... coordinated ligand (coordination number) was determined using the relation ...

  9. Crystal Structures, Properties and Reactivity of Selected Macrocyclic and Chelate Complexes of Ni(II)

    OpenAIRE

    Churchard, Andrew James

    2012-01-01

    In this dissertation we describe the structure, properties and decomposition reactions of a series of Ni(II) coordination complexes formed from reaction of the appropriate macrocyclic or chelating ligand with a simple nickel salt. The ligands used were 12aneS4 (1,4,7,10-tetrathiacyclododecane), 14aneS4 (1,4,8,11-tetrathiacyclotetradecane), cyclam (1,4,8,11-tetraazacyclotetradecane), dppe (1,2- (diphenylphosphino)ethane), and PP3 (tris-(2-(diphenylphosphino)ethyl)phosphine). The wo...

  10. Cytotoxic effect of inositol hexaphosphate and its Ni(II) complex on human acute leukemia Jurkat T cells.

    Science.gov (United States)

    de Lima, Eliane May; Kanunfre, Carla Cristine; de Andrade, Lucas Ferrari; Granato, Daniel; Rosso, Neiva Deliberali

    2015-12-01

    Inositol hexaphosphate (InsP6) is present in cereals, legumes, nuts and seed oils and is biologically active against some tumor and cancer cells. Herein, this study aimed at evaluating the cellular toxicity, antiproliferative activity and effects on cell cycle progression of free InsP6 and InsP6-Ni(II) of leukemic T (Jurkat) and normal human cells. Treatments with InsP6 at concentrations between 1.0 and 4.0mM significantly decreased the viability of Jurkat cells, but showed no cytotoxic effect on normal human lymphocytes. Treatment with InsP6-Ni(II) complex at concentrations between 0.05 and 0.30 mM showed an anti-proliferative dose and a time-dependent effect, with significantly reduced cell viability of Jurkat cells but showed no cytotoxic effect on normal human lymphocytes as compared to the control. Ni(II) free ion was toxic to normal cells while InsP6-Ni(II) had no cytotoxic effect. The InsP6-Ni(II) complex potentiated (up to 10×) the antiproliferative effect of free InsP6 on Jurkat cells. The cytometric flow assay showed that InsP6 led to an accumulation of cells in the G0/G1 phase of the cell cycle, accompanied by a decrease in the number of cells in S and G2/M phases, whereas InsP6-Ni(II) has led to an accumulation of cells in the S and G2/M phases. Our findings showed that InsP6-Ni(II) potentiates cytotoxic effects of InsP6 on Jurkat cells and may be a potential adjuvant in the treatment of cancer. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Thermal Degradation Behaviour of Ni(II Complex of 3,4-Methylenedioxaphenylaminoglyoxime

    Directory of Open Access Journals (Sweden)

    Emin Karapınar

    2013-01-01

    Full Text Available Thermal degradation behaviour of the Ni(II complex of 3,4-methylenedioxaphenylaminoglyoxime was investigated by TG, DTA, and DTG at a heating rate of 10°C min−1 under dinitrogen. The acquired experimental data shows that the complex is thermally stable up to 541 K. The pyrolytic decomposition process occurs by melting metal complex and metal oxide remains as final product. The energies of the reactions involved and the mechanism of decomposition at each stage have been examined. The values of kinetic parameters such as activation energy (E, preexponential factor (A and thermodynamic parameters such as enthalpy (ΔH, entropy (ΔS, and Gibbs free energy (ΔG are also evaluated.

  12. Micellar effect on metal-ligand complexes of Co(II), Ni(II), Cu(II) and ...

    African Journals Online (AJOL)

    Chemical speciation of citric acid complexes of Co(II), Ni(II), Cu(II) and Zn(II) was investigated pH-metrically in 0.0-2.5% anionic, cationic and neutral micellar media. The primary alkalimetric data were pruned with SCPHD program. The existence of different binary species was established from modeling studies using the ...

  13. Ni(II) complexes of arginine Schiff-bases and its interaction with DNA

    International Nuclear Information System (INIS)

    Sallam, S.A.; Abbas, A.M.

    2013-01-01

    Ni(II) complexes with Schiff-bases obtained by condensation of arginine with salicylaldehyde; 2,3-; 2,4-; 2,5-dihydroxybenzaldehyde and o-hydroxynaphthaldehyde have been synthesized using the template method in ethanol or ammonia media. They were characterized by elemental analyses, conductivity measurements, magnetic moment, UV, IR and 1 H NMR spectra as well as thermal analysis (TG, DTG and DTA). The Schiff-bases are dibasic tridentate donors and the complexes have diamagnetic square planar and octahedral structures. The complexes decompose in three steps where kinetic and thermodynamic parameters of the decomposition steps were computed. The interactions of the formed complexes with FM-DNA were monitored by UV and fluorescence spectroscopy. -- Highlights: ► Arginine Schiff-bases and their nickel(II) complexes have been synthesized. ► Magnetic and spectral data show diamagnetic square planar and octahedral complexes. ► The complexes thermally decompose in three stages. Interaction with FM-DNA shows hyperchromism with blue shift

  14. Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases; Part 1: alkyl halide alkylations.

    Science.gov (United States)

    Sorochinsky, Alexander E; Aceña, José Luis; Moriwaki, Hiroki; Sato, Tatsunori; Soloshonok, Vadim A

    2013-10-01

    Alkylations of chiral or achiral Ni(II) complexes of glycine Schiff bases constitute a landmark in the development of practical methodology for asymmetric synthesis of α-amino acids. Straightforward, easy preparation as well as high reactivity of these Ni(II) complexes render them ready available and inexpensive glycine equivalents for preparing a wide variety of α-amino acids, in particular on a relatively large scale. In the case of Ni(II) complexes containing benzylproline moiety as a chiral auxiliary, their alkylation proceeds with high thermodynamically controlled diastereoselectivity. Similar type of Ni(II) complexes derived from alanine can also be used for alkylation providing convenient access to quaternary, α,α-disubstituted α-amino acids. Achiral type of Ni(II) complexes can be prepared from picolinic acid or via recently developed modular approach using simple secondary or primary amines. These Ni(II) complexes can be easily mono/bis-alkylated under homogeneous or phase-transfer catalysis conditions. Origin of diastereo-/enantioselectivity in the alkylations reactions, aspects of practicality, generality and limitations of this methodology is critically discussed.

  15. Two new Ni(II) Schiff base complexes : X-ray absolute structure determination, synthesis of a N-15-labelled complex and full assignment of its H-1 NMR and C-13 NMR spectra

    NARCIS (Netherlands)

    Langer, Vratislav; Popkov, Alexander; Nadvornik, Milan; Lycka, Antonin

    2007-01-01

    The Ni(II) complex of the Schiff base of (S)-N-(2-benzoyl-4-chlorophenyl)-1-benzylpyrrolidine-2-carboxamide and glycine (1) [GKCI] and the hemihydrate of the Ni(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide and 2-aminoisobutiric acid (2) Me(2)GK] were

  16. Thermoanalytical studies of cimetidine and complexes with Mn(II) Co(II) and Ni(II)

    OpenAIRE

    Ana Carolina Mendes Hacke; Fernanda Moreira; Egon Schnitzler; Neiva Deliberali Rosso

    2014-01-01

    Cimetidine is an important hydrogen histamine receptor and can coordinate metal ions in blood plasma. The stability of cimetidine and its complexes with Mn(II), Co(II) and Ni(II) was evaluated by studies of thermogravimetry (TG) and differential thermal analysis (DTA). Cimetidine was thermally stable up to near 190 °C and above this temperature the thermal decomposition occurred in two stages. Complexes of [Mn(HCm)2]Cl2, [Co(Cm)2]Cl2 and [Ni(Cm)2]Cl2 showed a similar behavior. The pyrolytic d...

  17. Axially chiral Ni(II) complexes of α-amino acids: Separation of enantiomers and kinetics of racemization.

    Science.gov (United States)

    Zhang, Wenzhong; Ekomo, Romuald Eto; Roussel, Christian; Moriwaki, Hiroki; Abe, Hidenori; Han, Jianlin; Soloshonok, Vadim A

    2018-04-01

    Herein we present design, synthesis, chiral HPLC resolution, and kinetics of racemization of axially chiral Ni(II) complexes of glycine and di-(benzyl)glycine Schiff bases. We found that while the ortho-fluoro derivatives are configurationally unstable, the pure enantiomers of corresponding axially chiral ortho-chloro-containing complexes can be isolated by preparative HPLC and show exceptional configurational stability (t 1/2 from 4 to 216 centuries) at ambient conditions. Synthetic implications of this discovery for the development of new generation of axially chiral auxiliaries, useful for general asymmetric synthesis of α-amino acids, are discussed. © 2018 Wiley Periodicals, Inc.

  18. DNA binding and biological activity of mixed ligand complexes of Cu(II, Ni(II and Co(II with quinolones and N donor ligand

    Directory of Open Access Journals (Sweden)

    S.M M Akram

    2015-10-01

    Full Text Available  AbstractMixed ligand complexes of  Cu(II, Ni(II and Co(II have been synthesized by using levofloxacin and bipyridyl and characterized using spectral and analytical techniques. The binding behavior of the Ni(II and Cu(II complexes with herring sperm DNA(Hs-DNA were determined using electronic absorption titration, viscometric measurements and cyclic voltammetry measurements. The binding constant calculated  for Cu(II and Ni(II complexes are 2.0 x 104 and 4.0 x 104 M-1 respectively. Detailed analysis reveals that these metal complexes interact with DNA through intercalative binding mode. The nuclease activity of  Cu(II and Ni(II complexes with ct-DNA was carried out using agarose gel electrophoresis technique. The antioxidant activities for the synthesized complexes have been tested and the antibacterial activity for Ni(II complex was also checked.Key words: Intercalation, hypochromism, red shift and  peak potential.

  19. Synthesis, Characterization, and Structural Assessment of Ni(II Complexes Derived from Bis(2-hydroxy-1-naphthaldehydesuccinoyldihydrazone

    Directory of Open Access Journals (Sweden)

    Mithun Chakrabarty

    2015-01-01

    Full Text Available The monometallic nickel(II complexes [Ni(H2nsh(A2]·nH2O (where A = water (H2O, n=0 (1; pyridine (py, n=2 (2; 2-picoline(2-pic, n=0 (3; 3-picoline(3-pic, n=2 (4; and 4-picoline(4-pic, n=0 (5 and homobimetallic nickel(II complexes [Ni2(nsh(A4]·nH2O (where A = water (H2O, n=1 (6; pyridine (py, n=4 (7; 2-picoline(2-pic, n=4 (8; 3-picoline(3-pic, n=4 (9; and 4-picoline(4-pic, n=4 (10, resp. have been synthesized in methanol from bis(2-hydroxy-1-naphthaldehydesuccinoyldihydrazone (H4nsh. The complexes have been characterized by elemental analyses, molar conductance, magnetic moment, and electronic and IR and TGA/DTA spectroscopic studies. The monometallic complexes (1 to (5 are found to have octahedral stereochemistry while complexes (6 to (10 are found to have distorted octahedral stereochemistry in which one of the Ni(II centres is present in N2O2 coordination sphere and another Ni(II centre is bonded to it through phenolate oxygen atoms via oxo-bridging.

  20. Unsaturated b-ketoesters and their Ni(II, Cu(II and Zn(II complexes

    Directory of Open Access Journals (Sweden)

    MUHAMMED BASHEER UMMATHUR

    2009-03-01

    Full Text Available A new series of b-ketoesters in which the keto group is attached to the olefinic linkage were synthesized by the reaction of methyl acetoacetate and aromatic aldehydes under specified conditions. The existence of these compounds predominantly in the intramolecularly hydrogen bonded enol form was well demonstrated from their IR, 1H-NMR and mass spectral data. Details on the formation of their [ML2] complexes with Ni(II, Cu(II and Zn(II and the nature of the bonding are discussed on the basis of analytical and spectral data.

  1. Synthesis, characterization and anti-microbial evaluation of Cu(II), Ni(II), Pt(II) and Pd(II) sulfonylhydrazone complexes; 2D-QSAR analysis of Ni(II) complexes of sulfonylhydrazone derivatives

    Science.gov (United States)

    Özbek, Neslihan; Alyar, Saliha; Alyar, Hamit; Şahin, Ertan; Karacan, Nurcan

    2013-05-01

    Copper(II), nickel(II), platinum(II) and palladium(II) complexes with 2-hydroxy-1-naphthaldehyde-N-methylpropanesulfonylhydrazone (nafpsmh) derived from propanesulfonic acid-1-methylhydrazide (psmh) were synthesized, their structure were identified, and antimicrobial activity of the compounds was screened against three Gram-positive and three Gram-negative bacteria. The results of antimicrobial studies indicate that Pt(II) and Pd(II) complexes showed the most activity against all bacteria. The crystal structure of 2-hydroxy-1-naphthaldehyde-N-methylpropanesulfonylhydrazone (nafpsmh) was also investigated by X-ray analysis. A series of Ni(II) sulfonyl hydrazone complexes (1-33) was synthesized and tested in vitro against Escherichia coli and Staphylococcus aureus. Their antimicrobial activities were used in the QSAR analysis. Four-parameter QSAR models revealed that nucleophilic reaction index for Ni and O atoms, and HOMO-LUMO energy gap play key roles in the antimicrobial activity.

  2. Synthesis, characterization and cytotoxicity of mixed ligand Mn(II, Co(II and Ni(II complexes

    Directory of Open Access Journals (Sweden)

    Osman Souad A.

    2014-01-01

    Full Text Available Complexes of the type [ML'L(OH(H2O] {where M= Ni(II, Co(II or Mn(II, L'= isatin and HL= 3-(2-phenylhydrazonoacetylacetone, 3-(2-(4-chlorophenylhydrazonoacetylacetone or 3-(2-(4-bromophenylhydrazono-acetylacetone} have been synthesized by equimolar reaction of a metal(II chloride with isatin and 3-(2-(arylhydrazonoacetylacetone. The resulting complexes have been characterized by elemental analyses, molar conductivity, spectral data (IR, 1H NMR, mass and magnetic moments. Furthermore, the ligands and their metal complexes have been screened for their cytotoxicity against different human cancer cell lines by using SRB assay. The results showed that most of the mixed ligand metal complexes have high cytotoxicity in comparison with the reference drugs used.

  3. Antiviral Activity of Substituted Chalcones and their Respective Cu(ii, Ni(ii and Zn(ii Complexes

    Directory of Open Access Journals (Sweden)

    K. G. Mallikarjun

    2005-01-01

    Full Text Available Complexes of Cu(II, Ni(II and Zn(II with of 3-(phenyl-1-(2’-hydroxynaphthyl – 2 – propen – 1 – one (PHPO , 3 - (4-chlorophenyl - 1- (2’-hydroxynaphthyl–2–propen – 1 – one (CPHPO, 3 - (4 -methoxyphenyl -1-(2’-hydroxynapthyl-2-propen-1-one(MPHPO,3 - (3,4-dimethoxyphenyl –1-(2’-hydroxynaphthyl – 2 - propen– 1 – one (DMPHPO have been prepared and the purity of the samples were checked by elemental analysis. The ligands and their Cu(II, Ni(II and Zn(II complexes were tested on the infectivity of tobacco ring spot virus(TRSV using cowpea (Vigna Sinensis as a local lesions assay host. All the compounds were tested at different concentrations (250 ppm to 1500 ppmon the infectivity of the virus by applying them either with virus inoculum or 24 h before of after virus inoculation to the test plants. The compounds were found to have varied effects on virus infectivity depending on compounds concentration and method of application. The statistical significance of the data was determined by using analysis of variance.

  4. Thermoanalytical studies of cimetidine and complexes with Mn(II Co(II and Ni(II

    Directory of Open Access Journals (Sweden)

    Ana Carolina Mendes Hacke

    2014-02-01

    Full Text Available Cimetidine is an important hydrogen histamine receptor and can coordinate metal ions in blood plasma. The stability of cimetidine and its complexes with Mn(II, Co(II and Ni(II was evaluated by studies of thermogravimetry (TG and differential thermal analysis (DTA. Cimetidine was thermally stable up to near 190 °C and above this temperature the thermal decomposition occurred in two stages. Complexes of [Mn(HCm2]Cl2, [Co(Cm2]Cl2 and [Ni(Cm2]Cl2 showed a similar behavior. The pyrolytic decomposition occurred in two stages at temperatures above 250 oC. A residue for each complex was detected at the end of the decomposition process. This probably corresponds to the respective metal oxide.

  5. Ferromagnetic interactions in new double end-on-azide-bridged dinuclear Ni(II) complex: Synthesis, crystal structures, magnetic and photoluminescence properties

    Science.gov (United States)

    Donmez, Adem; Oylumluoglu, Gorkem; Coban, M. Burak; Kocak, Cagdas; Aygun, Muhittin; Kara, Hulya

    2017-12-01

    A new double end-on azide-bridged dinuclear nickel(II) Schiff base complex, [Ni2(μ1,1-N3)2(HL)2(MeOH)2], [HL = 2-[(2-hydroxypropylimino)methyl)-3,5-chlorophenol] has been synthesized and characterized by elemental analysis, UV and IR spectroscopy, single crystal X-ray diffraction, magnetic and photoluminescence study. The asymmetric unit contains half of the dinuclear unit. The Ni(HL) units in each dinuclear molecule are connected to each other by two bridging end-on azide ligands. In the crystalline architecture of the Ni(II) complex, intermolecular Osbnd H⋯N hydrogen bonds link the molecules which form one-dimensional structure. Additionally, low temperature magnetic measurements indicate a dominant intradimer ferromagnetic interactions in double end-on azide-bridged dinuclear Ni(II) complex. Room temperature solid state photoluminescence measurements of Ni(II) complex show strong green emission band at λmax = 508 nm while its free ligand H2L shows broad yellow emission band at λmax = 594 nm. The luminescent performances making Ni(II) complex may be good candidates for potential luminescence materials.

  6. Characterization and biological studies on Co(II), Ni(II) and Cu(II) complexes of carbohydrazones ending by pyridyl ring

    Science.gov (United States)

    Abu El-Reash, G. M.; El-Gammal, O. A.; Ghazy, S. E.; Radwan, A. H.

    2013-03-01

    The chelating behavior of ligands based on carbohydrazone core modified with pyridine end towards Co(II), Ni(II) and Cu(II) ions have been examined. The ligands derived from the condensation of carbohydrazide with 2-acetylpyridine (H2APC) and 4-acetylpyridine (H2APEC). The 1H NMR, IR data and the binding energy calculations of H2APC revealed the presence of two stereoisomers syn and anti in the solid state and in the solution. The 1H NMR, IR data and the binding energy calculations confirmed the presence of H2APEC in one keto form only in the solid state and in the solution. The spectroscopic data confirmed that H2APC behaves as a monobasic pentadentate in Co(II) and Cu(II) complexes and as mononegative tetradentate in Ni(II) complex. On the other hand, H2APEC acts as a mononegative tridentate in Co(II) complex, neutral tridentate in Ni(II) complex and neutral bidentate in Cu(II) complex. The electronic spectra and the magnetic measurements of complexes as well as the ESR of the copper complexes suggested the octahedral geometry. The bond length and bond angles were evaluated by DFT method using material studio program. The thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. The antioxidant (DDPH and ABTS methods), anti-hemolytic and in vitro Ehrlich ascites of the compounds have been screened.

  7. Synthesis, crystal structure and photoluminescence study of green light emitting bis(1[(4-butylphenylimino]methyl naphthalen-2-ol Ni(II complex

    Directory of Open Access Journals (Sweden)

    M. Srinivas

    2016-09-01

    Full Text Available Synthetically feasible and cost effective Ni(II complex phosphor (4 as green organic light emitting diode (OLED was prepared by using Schiff base 1-[(4-butylphenylimino]methyl naphthalen-2-ol (3. The single crystals of Ni(II complex were grown from chloroform and hexane (1:1 v/v solution. The green crystals of the complex were characterized by using single crystal XRD studies and were evaluated for their photophysical properties. From the Diffused Reflectance Spectrum of the complex, the measured band gap energy was found to be 1.83 eV and the PL spectrum of the complex showed emission peak at 519 nm. The excitation peaks at 519 nm were appeared at 394 nm and 465 nm. The Commission Internationale De L'Eclairage (CIE chromaticity diagram indicated that, the complex exhibit green color. Hence, Ni(II complex (4 could be a promising green OLED for developing strong electroluminescent materials for flat panel display applications.

  8. Estudo da estabilidade do complexo ácido fítico e o íon Ni(II Study of stability of phytic acid with Ni(II complex

    Directory of Open Access Journals (Sweden)

    Ligia De Carli

    2006-03-01

    Full Text Available A técnica de titulação potenciométrica foi utilizada para verificar as propriedades ácida-base do ácido fítico [1,2,3,4,5,6-hexaquis(dihidrogenofosfato-mio-inositol] e do complexo ácido fítico e Ni(II, em solução aquosa, em temperatura e força iônica constantes. Para avaliar o comportamento térmico e a complexação do ácido fítico com o íon Ni(II foram realizadas análises de Termogravimetria (TG, Termogravimetria Derivada (DTG, Calorimetria Exploratória Diferencial (DSC e estudos de Espectrofotometria de Infravermelho. Foram obtidas oito constantes de protonação da amostra de ácido fítico na forma de sal de dipotássio e sete constantes de estabilidade do complexo ácido fítico e Ni(II. As reações de protonação e de formação ocorrem na faixa de pH de 2,0 a 11,0. Os dados obtidos mostram que o ácido fítico encontra-se totalmente deprotonado em pH 12,0 no qual a espécie ML (um ligante para um íon metálico encontra-se totalmente formada no mesmo valor de pH. Os resultados obtidos por TG e DSC revelaram tanto para o ácido fítico como para o complexo boa estabilidade até a temperatura próxima a 200ºC. Por TG, DTG e DSC conclui-se também que a estequiometria do complexo estudado foi de um mol de ligante para um mol de íon metálico. A Espectrofotometria de Infravermelho comprovou a estabilidade do ácido fítico e a sua interação com o íon Ni(II.The technique of potenciometric titration was used to verify the acid-basic properties of the phytic acid, [1,2,3,4,5,6-hexakis(dihydrogen phosphate-myo-inositol] and the Phytic Acid-Ni(II complex, in aqueous solution, in constant temperature and ionic strength. To evaluate the thermal behavior end complexation of the isolated phytic acid with the Ni(II were performed analyses of thermogravimetry (TG, calorimetric scanning differential (DSC and studies Spectroscopy Infrared (IR. Eight protonation constants of the phytic acid sample as dipotassium salt were

  9. Synthesis and characterization of Ni(II, Cu(II and Co(III complexes with polyamine-containing macrocycles bearing an aminoethyl pendant arm

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    K. S. SIDDIQI

    2004-09-01

    Full Text Available Reaction of [M(ppn2]X2 (where M = Cu(II, Ni(II, Co(II and ppn = 1,3-diaminopropane with formaldehyde and ethylenediamine in methanol results in the ready formation of a 16-membered macrocyclic complex. The complexes were characterized by elemental anlysis, IR, EPR, electronic spectral data, magnetic moments and conductance measurements. The Cu(II, Ni(II and Co(III complexes are coordinated axially with both pendant groups of the hexadentate macrocycle. These pendant donors are attached to the macrocycle by a carbon chain. The electrical conductivities of the Cu(II and Ni(II chelates indicated them to be 1:2 electrolytes whilst those of Co(III is a 1:3 electrolyte in DMSO. The EPR spectrum of the copper complex exhibited G at 3.66, which indicates a considerable exchange interaction in the complex. Spectroscopic evidence suggests that in all of the complexes the metal ion is in an octahedral environment.

  10. Synthesis and spectroscopic studies of biologically active tetraazamacrocyclic complexes of Mn(II, Co(II, Ni(II, Pd(II and Pt(II

    Directory of Open Access Journals (Sweden)

    Monika Tyagi

    2014-01-01

    Full Text Available Complexes of Mn(II, Co(II, Ni(II, Pd(II and Pt(II were synthesized with the macrocyclic ligand, i.e., 2,3,9,10-tetraketo-1,4,8,11-tetraazacycoletradecane. The ligand was prepared by the [2 + 2] condensation of diethyloxalate and 1,3-diamino propane and characterized by elemental analysis, mass, IR and 1H NMR spectral studies. All the complexes were characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, IR, electronic and electron paramagnetic resonance spectral studies. The molar conductance measurements of Mn(II, Co(II and Ni(II complexes in DMF correspond to non electrolyte nature, whereas Pd(II and Pt(II complexes are 1:2 electrolyte. On the basis of spectral studies an octahedral geometry has been assigned for Mn(II, Co(II and Ni(II complexes, whereas square planar geometry assigned for Pd(II and Pt(II. In vitro the ligand and its metal complexes were evaluated against plant pathogenic fungi (Fusarium odum, Aspergillus niger and Rhizoctonia bataticola and some compounds found to be more active as commercially available fungicide like Chlorothalonil.

  11. Benzothiazolylazo derivatives of some β-dicarbonyl compounds and their Cu(II, Ni(II and Zn(II complexes

    Directory of Open Access Journals (Sweden)

    KRISHNANNAIR KRISHNANKUTTY

    2010-05-01

    Full Text Available The coupling of diazotized 2-aminobenzothiazole with 1,3-dicar-bonyl compounds (benzoylacetone, methyl acetoacetate and acetoacetanilide yielded a new series of tridentate ligand systems (HL. Analytical, IR, 1H--NMR, 13C-NMR and mass spectral data indicated that the compounds exist in the intramolecularly hydrogen bonded azo-enol tautomeric form in which one of the carbonyl groups of the dicarbonyl moiety had enolised and hydrogen bonded to one of the azo nitrogen atoms. The compounds formed stable complexes with Ni(II, Cu(II and Zn(II ions. The Cu(II complexes conform to [CuL(OAc] stoichiometry while the Ni(II and Zn(II complexes are in agreement with [ML2] stoichiometry. Analytical, IR, 1H-NMR, 13C-NMR and mass spectral data of the complexes are consistent with the replacement of the chelated enol proton of the ligand with a metal ion, thus leading to a stable six-membered chelate ring involving a cyclic nitrogen, one of the azo nitrogens and the enolate oxygen. The Zn(II chelates are diamagnetic while Cu(II and Ni(II complexes showed a normal paramagnetic moment.

  12. An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.

    Science.gov (United States)

    Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique

    2015-04-21

    Six novel Ni(II) complexes, ranging from mononuclear to tetranuclear, have been prepared from the polytopic symmetrical Mannich base ligand N,N'-dimethyl-N,N'-bis(2-hidroxy-3-formyl-5-bromo-benzyl)ethylenediamine (H2L) and different anionic coligands: [Ni(H2L)(NO3)(H2O)]NO3·H2O (), [Ni2(μ-L)(acac)2(H2O)]·CH3CN (), [Ni2(μ-L)(μ-OAc)(NCS)] (), [Ni3(μ-L)2(μ-OH2)2(H2O)(CH3CN)](NO3)2·4CH3CN (), [Ni4(μ-L)2(μ-OAc)2(μ-OCH3)2]·6H2O·2CH3OH () and [Ni4(μ-L)2(μ-OAc)2(μ-N3)2]·2H2O·CH3OH (). These complexes have been characterized by single crystal X-ray diffraction, magnetic measurements and DFT theoretical calculations. The structural analysis of these complexes reveals that the anionic coligand and reaction conditions play a fundamental role in determining their final structures and magnetic properties. Compound contains a monomeric cationic unit with the nickel ion coordinated in the external O4 site of the compartmental ligand H2L, which acts in a neutral zwitterionic form. Complexes and are dinuclear Ni2 neutral entities, in which the Ni(II) ions are connected through two μ-phenoxido bridging groups. The Ni(O)2Ni bridging fragment in is almost planar, whereas in is bent due to the additional presence of a syn-syn acetate bridge connecting the Ni(II) atoms. Complex has a bent trinuclear structure with double μ-phenoxido/μ-water bridges between the central and terminal nickel atoms. Complexes and are Ni4 complexes with defective dicubane structures, in which triple μ-phenoxido/μ1,1,1-X/syn-syn acetate and double μ-phenoxido/μ1,1,1-X mixed bridges connect central and terminal Ni(II) atoms, whereas double μ1,1,1-X bridging ligands link the central Ni(II) ions (X = methoxido and azido groups for and , respectively). Magnetic susceptibility measurements reveal that complex shows a moderate antiferromagnetic interaction between the Ni(II) ions through the double di-μ-phenoxido bridge, leading to a S = 0 ground state. Compared to , complex shows a much

  13. Adsorption phenomena of cubane-type tetranuclear Ni(II) complexes with neutral, thioether-functionalized ligands on Au(111)

    Science.gov (United States)

    Heß, Volkmar; Matthes, Frank; Bürgler, Daniel E.; Monakhov, Kirill Yu.; Besson, Claire; Kögerler, Paul; Ghisolfi, Alessio; Braunstein, Pierre; Schneider, Claus M.

    2015-11-01

    The controlled and intact deposition of molecules with specific properties onto surfaces is an emergent field impacting a wide range of applications including catalysis, molecular electronics, and quantum information processing. One strategy is to introduce grafting groups functionalized to anchor to a specific surface. While thiols and disulfides have proven to be quite effective in combination with gold surfaces, other S-containing groups have received much less attention. Here, we investigate the surface anchoring and organizing capabilities of novel charge-neutral heterocyclic thioether groups as ligands of polynuclear nickel(II) complexes. We report on the deposition of a cubane-type {Ni4} (= [Ni(μ3-Cl)Cl(HL·S)]4) single-molecule magnet from dichloromethane solution on a Au(111) surface, investigated by scanning tunneling microscopy, X-ray photoelectron spectroscopy, and low-energy electron diffraction, both immediately after deposition and after subsequent post-annealing. The results provide strong evidence for partial decomposition of the coordination complex upon deposition on the Au(111) surface that, however, leaves the magnetic {Ni4Cl4n} (n = 1 or 2) core intact. Only post-annealing above 480 K induces further decomposition and fragmentation of the {Ni4Cl4n} core. The detailed insight into the chemisorption-induced decomposition pathway not only provides guidelines for the deposition of thioether-functionalized Ni(II) complexes on metallic surfaces but also reveals opportunities to use multidentate organic ligands decorated with thioether groups as transporters for highly unstable inorganic structures onto conducting surfaces, where they are stabilized retaining appealing electronic and magnetic properties.

  14. Studies on some VO(IV), Ni(II) and Cu(II) complexes of non ...

    African Journals Online (AJOL)

    ... condensation of 1-phenyl-1,3-butanedione/2,4-pentanedione, ethylenediamine and 5-methoxy-2-hydroxy acetophenone) is discussed. The metal complexes were characterized by elemental analysis, molar conductance, magnetic susceptibility, infrared and electronic spectral measurements. They are magnetically dilute, ...

  15. ENANTIOSELECTIVE CONJUGATE ADDITION OF DIETHYLZINC TO CHALCONES CATALYZED BY CHIRAL NI(II) AMINOALCOHOL COMPLEXES

    NARCIS (Netherlands)

    DEVRIES, AHM; JANSEN, JFGA; FERINGA, BL

    1994-01-01

    Conjugate addition of diethylzinc to chalcones is catalysed by complexes prepared in situ from Ni(acac)(2) and cis-exo-N,N-dialkyl-3-aminoisoborneols or (+)-cis-endo-N,N-dimethyl-3-aminoborneol ((+)- DAB) (13b). The products are obtained with enantioselectivities up to 84 %. When scalemic

  16. Enantioselective Conjugate Addition of Diethylzinc to Chalcones Catalysed by Chiral Ni(II) Aminoalcohol Complexes

    NARCIS (Netherlands)

    Vries, André H.M. de; Jansen, Johan F.G.A.; Feringa, Bernard

    1994-01-01

    Conjugate addition of diethylzinc to chalcones is catalysed by complexes prepared in situ from Ni(acac)2 and cis-exo-N,N-dialkyl-3-aminoisoborneols or (+)-cis-endo-N,N-dimethyl-3-aminoborneol ((+)-DAB) (13b). The products are obtained with enantioselectivities up to 84 %. When scalemic

  17. Chiral mixed ligand Co(II) and Ni(II) complexes: synthesis and biological activity.

    Science.gov (United States)

    Shivankar, Vitthal S; Thakkar, Narendra V

    2004-01-01

    Chiral mixed ligand (CML) transition metal complexes of the type MQL.2H2O, where M is Co(II)/Ni(II), Q is deprotonated 8-hydroxyquinoline and L is a deprotonated chiral saccharide such as (+)-glucose and (-)-fructose, have been synthesized. The metal complexes have been characterized on the basis of elemental analysis and various physicochemical techniques such as molar conductance, specific rotation measurements, magnetic, spectral and thermal studies. The cup-plate method has been used to study the antibacterial activity of the compounds against some of the pathogenic bacteria such as C. diphtheriae, E. coli, S. typhi, S. dysenteriae, S. aureus and V. cholerae. The antifungal activity of the complexes against some of the pathogenic fungi such as Candida albicans and Aspergillus niger has been studied by the tube dilution method. The results have been compared against those of controls, which were screened simultaneously. The complexes have been screened for acute oral toxicity in albino rats. The method of Litchfield and Wilcoxon has been used to determine the LD50 values.

  18. Synthesis, Spectral and Antimicrobial Studies of Some Co(II, Ni(II and Cu(II Complexes Containing 2-Thiophenecarboxaldehyde Moiety

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    A. P. Mishra

    2012-01-01

    Full Text Available Some new Schiff base metal complexes of Co(II, Ni(II and Cu(II derived from 3-chloro-4-fluoroaniline (HL1 and 4-fluoroaniline (HL2 with 2-thiophenecarboxaldehyde have been synthesized and characterized by elemental analysis, FT-IR, FAB-mass, molar conductance, electronic spectra, ESR and magnetic susceptibility. The complexes exhibit coordination number 4 or 6. The complexes are colored and stable in air. Analytical data revealed that all the complexes exhibited 1:2 (metal: ligand ratio. FAB-mass data show degradation pattern of the complexes. The Schiff base and metal complexes show a good activity against the bacteria; B. subtilis, E. coli and S. aureus and fungi A. niger, A. flavus and C. albicans. The antimicrobial results also indicate that the metal complexes are better antimicrobial agents as compared to the Schiff bases.

  19. A new Ni(II complex as a novel and efficient recyclable catalyst for the synthesis of pyrano[2,3-d]pyrimidines

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    M. Habibi Kheirabadi

    2016-12-01

    Full Text Available A simple and highly efficient one-pot three-component synthesis of a series of pyrido[2,3-d]pyrimidines from the condensation of barbituric acid, malononitrile and aromatic aldehydes using catalytic amount of a new Ni(II complex based on 5-nitro-N1-((pyridin-2-ylmethylene benzene-1,2-diamine (NiL is reported. This new heterogeneous catalyst has the advantages of being environmentally friendly, simple work-up and high yields character.

  20. Asymmetric synthesis of chiral heterocyclic amino acids via the alkylation of the Ni(II) complex of glycine and alkyl halides.

    Science.gov (United States)

    Chen, Hui; Wang, Jiang; Zhou, Shengbin; Liu, Hong

    2014-09-05

    An investigation into the reactivity profile of alkyl halides has led to the development of a new method for the asymmetric synthesis of chiral heterocyclic amino acids. This protocol involves the asymmetric alkylation of the Ni(II) complex of glycine to form an intermediate, which then decomposes to form a series of valuable chiral amino acids in high yields and with excellent diastereoselectivity. The chiral amino acids underwent a smooth intramolecular cyclization process to afford the valuable chiral heterocyclic amino acids in high yields and enantioselectivities. This result paves the way for the development of a new synthetic method for chiral heterocyclic amino acids.

  1. 1-Naphthylazo derivatives of some 1,3-dicarbonyl compounds and their Cu(II, Ni(II and Zn(II complexes

    Directory of Open Access Journals (Sweden)

    K. KRISHNANKUTTY

    2009-11-01

    Full Text Available The coupling of diazotized 1-aminonaphthalene with 1,3-dicarbonyl compounds (acetylacetone, methylacetoacetate and acetoacetanilide yielded a new series of bidentate ligand systems (HL. Analytical, IR, 1H-NMR and mass spectral data indicate that the compounds exist in the intramolecularly hydrogen bonded keto-hydrazone form. With Ni(II, Cu(II and Zn(II, these potential monobasic bidentate ligands formed [ML2] type complexes. The IR, 1H-NMR and mass spectral data of the complexes are consistent with the replacement of the chelated hydrazone proton of the ligand by a metal ion, thus leading to a stable six-membered chelate ring involving the hydrazone nitrogen and the hydrogen bonded carbonyl oxygen. The Ni(II and Zn(II chelates are diamagnetic, while the Cu(II complexes are paramagnetic. In the metal complexes of the naphthylazo derivatives of acetylacetone and methylacetoacetate, the acetyl carbonyl is involved in coordination, whereas in the chelates of the naphthylazo derivative of acetoacetanilide, the anilide carbonyl is bonded with the metal ion.

  2. Investigation on the Synergistic Complexation of Ni(II with 1,10-Phenanthroline and Dithizone at Hexane-Water Interface Using Centrifugal Liquid Membrane-Spectrophotometry

    Directory of Open Access Journals (Sweden)

    Yoki Yulizar

    2012-12-01

    Full Text Available Complex formation of Ni(II and 1,10-phenanthroline (C12H8N2/Phen with the addition of dithizone (C13H12N4S/HDz at the hexane-water interface has been studied by direct measurement spectrophotometry using the centrifugal liquid membrane (CLM method. Ni(II ion with Phen formed a cationic complex of Ni(C12H8N222+ or NiPhen22+. That complex dissolved in the aqueous phase and had two UV absorption spectrum maxima wavelengths, max 270 and 292 nm. Observation of complex formation was performed variations of pH and ligand concentration. The pH caused protonation that affected the amount of the formed complex. With the variations of ligand concentrations, the greater was the concentration of ligands the greater was the formed complex. Based on the Batch method, the HDz ligand addition into the NiPhen22+ cationic complex produced ion association complex of Ni(C13H11N4S2(C12H8N2 or NiDz2Phen at max 403 nm, and is extracted in the organic phase. Measurement results using CLM method showed that NiDz2Phen complex was formed at hexane-water interface with max 523 nm. Comparison of Phen with HDz ligand concentrations affected the initial formation rate of NiDz2Phen complex. The greater concentration of Phen ligand increased the initial rate of formation for synergistic complex. The obtained data using CLM method indicated that the synergistic complex formation rate constant of NiDz2Phen at the interface, k was 0.30 s-1.

  3. Evidence supporting a cis-enediol-based mechanism for Pyrococcus furiosus phosphoglucose isomerase

    NARCIS (Netherlands)

    Berrisford, J.M.; Hounslow, A.M.; Akerboom, A.P.; Hagen, W.R.; Brouns, S.J.J.; Oost, van der J.; Murray, I.A.; Blackburn, G.M.; Waltho, J.P.; Rice, D.W.; Baker, P.J.

    2006-01-01

    The enzymatic aldose ketose isomerisation of glucose and fructose sugars involves the transfer of a hydrogen between their C1 and C2 carbon atoms and, in principle, can proceed through either a direct hydride shift or via a cis-enediol intermediate. Pyrococcus furiosus phosphoglucose isomerase

  4. Synthesis, magnetic and spectroscopic studies of Ni(II, Cu(II, Zn(II and Cd(II complexes of a newly Schiff base derived from 5-bromo-2-hydroxybezylidene-3,4,5-trihydroxybenzohydrazide

    Directory of Open Access Journals (Sweden)

    Mahmood A. Abdullah

    2012-12-01

    Full Text Available A new hydrazide Shiff base ligand GHL1 (5-bromo-2-hydroxybezylidene-3,4,5-trihydroxybenzohydrazide was prepared by refluxing of trihydroxybenzhydrazide with an ethanolic of 5-bromo-2-hydroxybenzaldehyde. The ligand reacted with Ni(II, Cu(II, Zn(II and Cd(II (acetate salts. All the complexes were characterized by elemental analysis, molar conductivity, TGA, UV-Vis and FT-IR spectral studies. All the complexes have octahedral geometry except Ni(II complex which has tetrahedral geometry.DOI: http://dx.doi.org/10.4314/bcse.v26i1.10

  5. Studies on some VO(IV, Ni(II and Cu(II complexes of non-symmetrical tetradentate Schiff-bases

    Directory of Open Access Journals (Sweden)

    Aderoju A. Osowole

    2008-08-01

    Full Text Available The coordination chemistry of VO(IV, Ni(II and Cu(II with unsymmetrical Schiff base ligands, [HO(OCH3C6H3C(CH3:N(CH2CH2N:C(CH3CH:C(C6H5OH], H2L and [HO(OCH3C6H3C(CH3:N(CH2CH2N:C(CH3CH:C(CH3OH], H2L1 (derived from condensation of 1-phenyl-1,3-butanedione/2,4-pentanedione, ethylenediamine and 5-methoxy-2-hydroxy acetophenone is discussed. The metal complexes were characterized by elemental analysis, molar conductance, magnetic susceptibility, infrared and electronic spectral measurements. They are magnetically dilute, non-electrolytes in nitromethane. The ligands are tetradentately coordinating via the imine N and enolic O atoms, resulting in 5-coordinate square-pyramidal geometry for the VO(IV complexes and 4-coordinate square-planar geometry for the Ni(II and Cu(II complexes. The assignment of geometry is supported by magnetic and spectral measurements.

  6. Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases. Part 3: Michael addition reactions and miscellaneous transformations.

    Science.gov (United States)

    Aceña, José Luis; Sorochinsky, Alexander E; Soloshonok, Vadim

    2014-09-01

    The major goal of this review is a critical discussion of the literature data on asymmetric synthesis of α-amino acids via Michael addition reactions involving Ni(II)-complexes of amino acids. The material covered is divided into two conceptually different groups dealing with applications of: (a) Ni(II)-complexes of glycine as C-nucleophiles and (b) Ni(II)-complexes of dehydroalanine as Michael acceptors. The first group is significantly larger and consequently subdivided into four chapters based on the source of stereocontrolling element. Thus, a chiral auxiliary can be used as a part of nucleophilic glycine Ni(II) complex, Michael acceptor or both, leading to the conditions of matching vs. mismatching stereochemical preferences. The particular focus of the review is made on the practical aspects of the methodology under discussion and mechanistic considerations.

  7. Six, Seven or Eight Coordinate Fe(II) , Co(II) or Ni(II) Complexes of Amide-Appended Tetraazamacrocycles for ParaCEST Thermometry.

    Science.gov (United States)

    Olatunde, Abiola O; Bond, Christopher J; Dorazio, Sarina J; Cox, Jordan M; Benedict, Jason B; Daddario, Michael D; Spernyak, Joseph A; Morrow, Janet R

    2015-12-07

    Fe(II) , Co(II) and Ni(II) complexes of two tetraazamacrocycles (1,4,8,11-tetrakis(carbamoylmethyl)-1,4,8,11-tetraazacyclotetradecane (L1) and 1,4,7,10-tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane (L2) show promise as paraCEST agents for registration of temperature (paraCEST=paramagnetic chemical exchange saturation transfer). The Fe(II) , Co(II) and Ni(II) complexes of L1 show up to four CEST peaks shifted ≤112 ppm, whereas analogous complexes of L2 show only a single CEST peak at ≤69 ppm. Comparison of the temperature coefficients (CT ) of the CEST peaks of [Co(L2)](2+) , [Fe(L2)](2+) , [Ni(L1)](2+) and [Co(L1)](2+) showed that a CEST peak of [Co(L1)](2+) gave the largest CT (-0.66 ppm (o) C(-1) at 4.7 T). NMR spectral and CEST properties of these complexes correspond to coordination complex symmetry as shown by structural data. The [Ni(L1)](2+) and [Co(L1)](2+) complexes have a six-coordinate metal ion bound to the 1-, 4-amide oxygen atoms and four nitrogen atoms of the tetraazamacrocycle. The [Fe(L2)](2+) complex has an unusual eight-coordinate Fe(II) bound to four amide oxygen atoms and four macrocyclic nitrogen atoms. For [Co(L2)](2+) , one structure has seven-coordinate Co(II) with three bound amide pendents and a second structure has a six-coordinate Co(II) with two bound amide pendents. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Synthesis and Characterization of Some New Cu(II, Ni(II and Zn(II Complexes with Salicylidene Thiosemicarbazones: Antibacterial, Antifungal and in Vitro Antileukemia Activity

    Directory of Open Access Journals (Sweden)

    Tudor Rosu

    2013-07-01

    Full Text Available Thirty two new Cu(II, Ni(II and Zn(II complexes (1–32 with salicylidene thiosemicarbazones (H2L1–H2L10 were synthesized. Salicylidene thiosemicarbazones, of general formula (XN-NH-C(S-NH(Y, were prepared through the condensation reaction of 2-hydroxybenzaldehyde and its derivatives (X with thiosemicarbazide or 4-phenylthiosemicarbazide (Y = H, C6H5. The characterization of the new formed compounds was done by 1H-NMR, 13C-NMR, IR spectroscopy, elemental analysis, magnetochemical, thermoanalytical and molar conductance measurements. In addition, the structure of the complex 5 has been determined by X-ray diffraction method. All ligands and metal complexes were tested as inhibitors of human leukemia (HL-60 cells growth and antibacterial and antifungal activities.

  9. Synthesis, characterization, equilibrium study and biological activity of Cu(II), Ni(II) and Co(II) complexes of polydentate Schiff base ligand

    Science.gov (United States)

    El-Sherif, Ahmed A.; Shehata, Mohamed R.; Shoukry, Mohamed M.; Barakat, Mohammad H.

    2012-10-01

    Schiff base ligand, 1,4-bis[(2-hydroxybenzaldehyde)propyl]piperazine (BHPP), and its Cu(II), Ni(II) and Co(II) metal complexes were synthesized and characterized by elemental analysis, magnetic susceptibility, molar conductance and spectral (IR and UV-vis) studies. The ground state of BHPP ligand was investigated using the BUILDER module of MOE. Metal complexes are formed in the 1:1 (M:L) ratio as found from the elemental analysis and found to have the general formula [ML]·nH2O, where M = Co(II), Ni(II) and Cu(II), L = BHPP. In all the studied complexes, the (BHPP) ligand behaves as a hexadentate divalent anion with coordination involving the two azomethine nitrogen's, the two nitrogen atoms of piperazine ring and the two deprotonated phenolic OH-groups. The magnetic and spectral data indicates octahedral geometry of metal(II) complexes. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. They were found to be more active against Gram-positive than Gram-negative bacteria. Protonation constants of (BHPP) ligand and stability constants of its Cu2+, Co2+ and Ni2+ complexes were determined by potentiometric titration method in 50% DMSO-water solution at ionic strength of 0.1 M sodium nitrate. It has been observed that the protonated Schiff base ligand (BHPP) have four protonation constants. The divalent metal ions Cu2+, Ni2+ and Co2+ form 1:1 complexes.

  10. New Mn(II, Ni(II, Cd(II, Pb(II complexes with 2-methylbenzimidazole and other ligands. Synthesis, spectroscopic characterization, crystal structure, magnetic susceptibility and biological activity studies

    Directory of Open Access Journals (Sweden)

    Shayma A. Shaker

    2016-11-01

    Full Text Available Synthesis and characterization of Mn(II, Ni(II, Cd(II and Pb(II mixed ligand complexes of 2-methylbenzimidazole with other ligands have been reported. The structure of the ligands and their complexes was investigated using elemental analysis, IR, UV–Vis, (1H, 13C NMR spectroscopy, molar conductivity and magnetic susceptibility measurements. In all the studies of complexes, the 2-methylbenzimidazole behaves as a neutral monodentate ligand which is coordinated with the metal ions through the N atom. While benzotriazole behaves as a neutral bidentate ligand which is coordinated with the Ni(II ion through the two N atoms. Moreover, the N-acetylglycine behaves as a bidentate ligand which is coordinated with the Mn(II, Ni(II and Pb(II ions through the N atom and the terminal carboxyl oxygen atom. The magnetic and spectral data indicate the tetrahedral geometry for Mn(II complex, irregular tetrahedral geometry for Pb(II complex and octahedral geometry for Ni(II complex. The X-ray single crystal diffraction method was used to confirm a centrosymmetric dinuclear Cd(II complex as each two metal ions are linked by a pair of thiocyanate N = S bridge. Two 2-methylbenzimidazole N-atom donors and one terminal thiocyanate N atom complete a highly distorted square pyramid geometry around the Cd atom. Besides, different cell types were used to determine the inhibitory effect of Mn(II, Ni(II, Cd(II and Pb(II complexes on cell growth using MTT assay. Cd(II complex showed cytotoxic effect on various types of cancer cell lines with different EC50 values.

  11. Synthesis of Ni(II) and Cu(II) complexes with N-(benzylcarbamothioyl) benzamide as corrosion inhibitors for mild steel in 1M HCl

    Science.gov (United States)

    Kassim, Karimah; Nordin, Nurul Atikah; Zulkifli, Norsakina Zurina; Hashim, Nor Zakiah Nor

    2017-11-01

    In this study, N-(benzylcarbamothioyl) benzamide(A1) with its Cu(II) and Ni(II) complexes were successfully synthesized using condensation method. The synthesized compounds were characterized by elemental analysis (CHNS), IR spectroscopy, NMR (1H) spectroscopy and melting point analysis. The synthesized compounds have been evaluated as new inhibitors for the corrosion of mild steel in 1M HCl solution using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. Polarization measurements showed that these derivatives are anodic-type inhibitors. The inhibition efficiency of inhibitors increased with an increase the concentration of inhibitors. Nyquist plots showed depressed semicircles with their centre below real axis. From the results, it showed the inhibition efficiency of thiourea complexes were higher than the ligands due its larger size.

  12. Characterization of Ni(II) complexes of Schiff bases of amino acids and (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide using ion trap and QqTOF electrospray ionization tandem mass spectrometry

    NARCIS (Netherlands)

    Jirasko, Robert; Holcapek, Michal; Kolarova, Lenka; Nadvornik, Milan; Popkov, Alexander

    This work demonstrates the application of electrospray ionization mass spectrometry (ESI-MS) using two different mass analyzers, ion trap and hybrid quadrupole time-of-flight (QqTOF) mass analyzer, for the structural characterization of Ni(II) complexes of Schiff bases of

  13. Synthesis, characterization and DNA cleavage studies of isomeric pyridyl-tetrazole ligands and their Ni(II and Zn(II complexes

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    M.S. Surendra Babu

    2017-03-01

    Full Text Available A new series of Ni(II and Zn(II complexes were synthesized from bidentate isomeric pyridyl tetrazole ligands such as 2-(1-vinyl-1H-tetrazol-5-ylpyridine (L1, N,N-dimethyl-3-(5-(pyridin-2-yl-1H-tetrazol-1-ylpropan-1-amine(L2, 2-(2-vinyl-2H-tetrazol-5-ylpyridine(L3, N,N-dimethyl-3-(5-(pyridin-2-yl-2H-tetrazol-2-ylpropan-1-amine (L4. All the complexes were characterized by the elemental analysis, molar conductance, FTIR, UV–vis and magnetic studies. The conductance and spectroscopic data suggested that, the ligands act as monobasic bidentate ligands and form octahedral complexes with general formula [M(L1−42Cl2], (M = Ni(II and Zn(II. In addition metal complexes displayed good antioxidant and moderate nematicidal activities. The cytotoxicity of ligands and their metal complexes have been evaluated by MTT assay. The DNA cleavage activity of the metal complexes was performed using agarose gel electrophoresis in the presence and absence of oxidant H2O2. All metal complexes showed significant nuclease activity in the presence of H2O2.

  14. Bis(diphenylphosphino)methane-phosphonate ligands and their Pd(II), Ni(II) and Cu(I) complexes. Catalytic oligomerization of ethylene.

    Science.gov (United States)

    Hamada, Adel; Braunstein, Pierre

    2009-02-16

    The bis(diphenylphosphino)methane-phosphonate-based (dppm-phosphonate) ligands (Ph(2)P)(2)CHP(O)(OR)(2) (R = Me, L(1); R = Ph, L(2)) form metal complexes by selective coordination of the diphosphine moiety to Pd(II) and Ni(II) centers. The formation of complexes containing the chelating, deprotonated form of ligand L(1) or L(2) occurred when basic ligands were present in the precursor complex, such as Me or dmba (on Pd(II)) or acac (on Ni(II)). The Cu(I) complex [CuL(1)](2)(BF(4))(2) (9) was obtained that is suggested to be dinuclear, each Cu(I) being chelated by a phosphine and a P=O donor and further bound to the phosphine group of another ligand. The crystal structures of the mononuclear complexes [PdCl(2){(Ph(2)P)(2)CHP(O)(OMe)(2)-P,P}] (2a), [PdCl(2){(Ph(2)P)(2)CHP(O)(OPh)(2)-P,P}] (2b), [Pd{(Ph(2)P)(2)CP(O)(OMe)(2)-P,P}(2)] (6a) in 6a.2CH(2)Cl(2), [Pd{(Ph(2)P)(2)CP(O)(OPh)(2)-P,P}(2)] (6b), [Ni{(Ph(2)P)(2)CP(O)(OMe)(2)-P,P}(2)] (10a) in 10a.4CHCl(3), [Ni{(Ph(2)P)(2)CP(O)(OPh)(2)-P,P}(2)] (10b) in 10b.4CHCl(3), [NiCl(2){(Ph(2)P)(2)CHP(O)(OMe)(2)-P,P}] (11a) in 11a.CHCl(3) and of the dinuclear complexes [Pd(mu-Cl){(Ph(2)P)(2)CP(O)(OMe)(2)-P,P}](2) (7a) and [Pd(mu-Cl){(Ph(2)P)(2)CP(O)(OPh)(2)-P,P}](2) (7b) have been determined by X-ray diffraction. The complexes [Ni{(Ph(2)P)(2)CC(O)NPh(2)-P,P}(2)] (13) and [Ni{Ph(2)PC(Ph)P(O)(OEt)(2)-P,O}(2)] (15) were prepared by reaction of [Ni(acac)(2)] with the known, neutral ligands (Ph(2)P)(2)CHC(O)NPh(2) and Ph(2)PCH(Ph)P(O)(OEt)(2), respectively. The Ni(II) complexes were evaluated for the catalytic oligomerization of ethylene and afforded similar results when AlEtCl(2) was used as cocatalyst. Complexes 11a,b were the most active, with a turnover frequency (TOF) of 78 300 mol of C(2)H(4)/(mol of Ni)h) for complex 11b in the presence of 10 equiv of AlEtCl(2) and showed a high selectivity for C(4) and C(6) olefins with up to 93% C(4) for 10a in the presence of 6 equiv AlEtCl(2), whereas when only 3 equiv cocatalyst was

  15. Biologically active new Fe(II, Co(II, Ni(II, Cu(II, Zn(II and Cd(II complexes of N-(2-thienylmethylenemethanamine

    Directory of Open Access Journals (Sweden)

    C. SPÎNU

    2008-04-01

    Full Text Available Iron(II, cobalt(II, nickel (II, copper (II, zinc(II and cadmium(II complexes of the type ML2Cl2, where M is a metal and L is the Schiff base N-(2-thienylmethylenemethanamine (TNAM formed by the condensation of 2-thiophenecarboxaldehyde and methylamine, were prepared and characterized by elemental analysis as well as magnetic and spectroscopic measurements. The elemental analyses suggest the stoichiometry to be 1:2 (metal:ligand. Magnetic susceptibility data coupled with electronic, ESR and Mössbauer spectra suggest a distorted octahedral structure for the Fe(II, Co(II and Ni(II complexes, a square-planar geometry for the Cu(II compound and a tetrahedral geometry for the Zn(II and Cd(II complexes. The infrared and NMR spectra of the complexes agree with co-ordination to the central metal atom through nitrogen and sulphur atoms. Conductance measurements suggest the non-electrolytic nature of the complexes, except for the Cu(II, Zn(II and Cd(II complexes, which are 1:2 electrolytes. The Schiff base and its metal chelates were screened for their biological activity against Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the metal chelates were found to possess better antibacterial activity than that of the uncomplexed Schiff base.

  16. Synthesis, spectroscopic characterization, molecular modeling and antimicrobial activities of Mn(II), Co(II), Ni(II), Cu(II) complexes containing the tetradentate aza Schiff base ligand

    Science.gov (United States)

    Chandra, Sulekh; Ruchi

    2013-02-01

    Mn(II), Co(II), Ni(II), and Cu(II) complexes with a tetradentate macrocyclic ligand [1.2.5.6tetraoxo-3,4,7,8tetraaza-(1,2,3,4,5,6,7,8)tetrabenzene(L)] were synthesized and characterized by elemental analysis, molar conductance measurements, mass, nmr, i.r., electronic and e.p.r. spectral studies. All the complexes are non electrolytes in nature and may be formulated as [M(L)X2] [where, M = Mn(II), Co(II), Ni(II), Cu(II) and X = Cl-, CH3COO-]. On the basis of i.r., electronic and e.p.r. spectral studies a distorted octahedral geometry has been assigned for all complexes. The antimicrobial activities and LD50 values of the ligand and its complexes, as growth inhibiting agents, have been screened in vitro against two different species of bacteria and plant pathogenic fungi.

  17. Synthesis, spectroscopic and single crystal X-ray studies on three new mononuclear Ni(II) pincer type complexes: DFT calculations and their antimicrobial activities

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    Layek, Samaresh; Agrahari, Bhumika; Tarafdar, Abhrajyoti; Kumari, Chanda; Anuradha; Ganguly, Rakesh; Pathak, Devendra D.

    2017-08-01

    Three new mononuclear square planar Ni(II) complexes, containing pincer type tridentate Schiff base ligands, having general formula [(NiL1(4-MePy)] (1), [(NiL1(2-AzNp)] (2), and [(NiL2(4-MePy)] (3) [where L1 = anion of N-(2-hydroxy-3-methoxybenzylidene) benzoylhydrazide (HL1), L2 = anion of N-(2-hydroxy-3-methoxybenzylidene) thiosemicarbazide (HL2), 4-MePy = 4-Methylpyridine and 2-AzNp = 2-Azanapthalene] have been synthesized and fully characterized by FT-IR, UV-visible, NMR, single crystal X-ray diffraction studies and elemental analysis. All the three complexes show square planar geometry around the nickel atom. The pincer type ligand occupies three coordination sites, while the fourth site is occupied by the monodentate nitrogen containing ligand. The Quantum chemical DFT calculations have also been carried out using DFT/B3LYP method and 6-311++G(d,p) basis set. The synthesized nickel complexes were screened for antimicrobial activities by agar well diffusion method against E. coli bacteria. Out of three complexes, [(NiL2(4-MePy)] (3) only showed the antimicrobial activity against E. coli bacteria.

  18. Synthesis, characterization, DFT and biological studies of (Z)-N‧-(2-oxoindolin-3-ylidene)picolinohydrazide and its Co(II), Ni(II) and Cu(II) complexes

    Science.gov (United States)

    Rakha, T. H.; El-Gammal, O. A.; Metwally, H. M.; Abu El-Reash, G. M.

    2014-03-01

    The picolinohydrazide derivative: (Z)-N‧-(2-oxoindolin-3-ylidene)picolinohydrazide (H2IPH) and its Co(II), Ni(II) and Cu(II) complexes have been synthesized and investigated by using the modern spectroscopic and physicochemical techniques viz. IR, 1H NMR, UV-Vis spectrometric methods and magnetic moment measurements. The investigation study revealed that the ligand acts as monobasic tri- and tetradentate in Co(II) and Ni(II) complex, respectively and as neutral tridentate in Cu(II) complex. On the basis of magnetic moment and spectral studies, a six coordinated octahedral geometry is assigned for all complexes. The molecular modeling are drawn and showed the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all the title compounds and also NLO for the ligand is shown. The energy gap between the HOMO and LUMO for Ni(II) complex is (-7 eV) which indicates that these compound is a promising structure for photovoltaic devices such as solar cells. A comparison of the experimental and theoretical spectra can be very useful in making correct assignments and understanding the basic chemical shift. The thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. The in vitro antibacterial studies of these complexes screened against pathogenic bacteria proved them as growth inhibiting agents. Antitumor activity, carried out in vitro on human mammary gland (breast) MCF7, have shown that the Co(II) complex exhibited potent activity followed by the ligand, Cu(II) and Ni(II) complexes.

  19. Synthesis and characterization of Cu(II), Co(II) and Ni(II) complexes of a number of sulfadrug azodyes and their application for wastewater treatment

    Science.gov (United States)

    El-Baradie, K.; El-Sharkawy, R.; El-Ghamry, H.; Sakai, K.

    2014-03-01

    The azodye ligand (HL1) was synthesized from the coupling of sulfaguanidine diazonium salt with 2,4-dihydroxy-benzaldehyde while the two ligands, HL2 and HL3, were prepared by the coupling of sulfadiazine diazonium salt with salicylaldehyde (HL2) and 2,4-dihydroxy-benzaldehyde (HL3). The prepared ligands were characterized by elemental analysis, IR, 1H NMR and mass spectra. Cu(II), Co(II) and Ni(II) complexes of the prepared ligands have been synthesized and characterized by various spectroscopic techniques like IR, UV-Visible as well as magnetic and thermal (TG and DTA) measurements. It was found that all the ligands behave as a monobasic bidentate which coordinated to the metal center through the azo nitrogen and α-hydroxy oxygen atoms in the case of HL1 and HL3. HL2 coordinated to the metal center through sulfonamide oxygen and pyrimidine nitrogen. The applications of the prepared complexes in the oxidative degradation of indigo carmine dye exhibited good catalytic activity in the presence of H2O2 as an oxidant. The reactions followed first-order kinetics and the rate constants were determined. The degradation reaction involved the catalytic action of the azo-dye complexes toward H2O2 decomposition, which can lead to the generation of HOrad radicals as a highly efficient oxidant attacking the target dye. The detailed kinetic studies and the mechanism of these catalytic reactions are under consideration in our group.

  20. Ni(II, Pd(II and Pt(II complexes with ligand containing thiosemicarbazone and semicarbazone moiety: synthesis, characterization and biological investigation

    Directory of Open Access Journals (Sweden)

    SULEKH CHANDRA

    2008-07-01

    Full Text Available The synthesis of nickel(II, palladium(II and platinum(II complexes with thiosemicarbazone and semicarbazone of p-tolualdehyde are reported. All the new compounds were characterized by elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, 1H-NMR, IR and electronic spectral studies. Based on the molar conductance measurements in DMSO, the complexes may be formulated as [Ni(L2Cl2] and [M(L2]Cl2 (where M = Pd(II and Pt(II due to their non-electrolytic and 1:2 electrolytic nature, respectively. The spectral data are consistent with an octahedral geometry around Ni(II and a square planar geometry for Pd(II and Pt(II, in which the ligands act as bidentate chelating agents, coordinated through the nitrogen and sulphur/oxygen atoms. The ligands and their metal complexes were screened in vitro against fungal species Alternaria alternata, Aspergillus niger and Fusarium odum, using the food poison technique.

  1. DNA incision evaluation, binding investigation and biocidal screening of Cu(II), Ni(II) and Co(II) complexes with isoxazole Schiff bases.

    Science.gov (United States)

    Ganji, Nirmala; Chityala, Vijay Kumar; Marri, Pradeep Kumar; Aveli, Rambabu; Narendrula, Vamsikrishna; Daravath, Sreenu; Shivaraj

    2017-10-01

    Two new series of binary metal complexes [M(L 1 ) 2 ] and [M(L 2 ) 2 ] where, M=Cu(II), Ni(II) & Co(II) and L 1 =4-((3,4-dimethylisoxazol-5-ylimino)methyl)benzene-1,3-diol; L 2 =2-((3,4-dimethylisoxazol-5-ylimino)methyl)-5-methoxyphenol were synthesized and characterized by elemental analysis, 1 H NMR, 13 C NMR, FT-IR, ESI mass, UV-Visible, magnetic moment, ESR, SEM and powder XRD studies. Based on these results, a square planar geometry is assigned for all the metal complexes where the Schiff base acts as uninegatively charged bidentate chelating agent via the hydroxyl oxygen and azomethine nitrogen atoms. DNA binding studies of all the complexes with calf thymus DNA have been comprehensively investigated using electronic absorption spectroscopy, fluorescence quenching and viscosity studies. The oxidative and photo cleavage affinity of metal complexes towards supercoiled pBR322 DNA has been ascertained by agarose gel electrophoresis assay. From the results, it is observed that all the metal complexes bind effectively to CT-DNA via an intercalative mode of binding and also cleave pBR322 DNA in a promising manner. Further the Cu(II) complexes have shown better binding and cleavage properties towards DNA. The antimicrobial activities of the Schiff bases and their metal complexes were studied on bacterial and fungal strains and the results denoted that the complexes are more potent than their Schiff base ligands. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Synthesis, spectral, thermal and magnetic studies of Mn(II), Ni(II) and Cu(II) complexes with some benzopyran-4-one Schiff bases

    Science.gov (United States)

    El-Ansary, Aida L.; Abdel-Fattah, Hussein M.; Abdel-Kader, Nora S.

    2011-08-01

    The Schiff bases of N 2O 2 dibasic ligands, H 2La and H 2Lb are prepared by the condensation of ethylenediamine (a) and trimethylenediamine (b) with 6-formyl-7-hydroxy-5-methoxy-2-methylbenzopyran-4-one. Also tetra basic ligands, H 4La and H 4Lb are prepared by the condensation of aliphatic amines (a) and (b) with 6-formyl-5,7-dihydroxy-2-methylbenzopyran-4-one. New complexes of H 4La and H 4Lb with metal ions Mn(II), Ni(II) and Cu(II) are synthesized, in addition Mn(II) complexes with ligands H 2La and H 2Lb are also synthesized. Elemental and thermal analyses, infrared, ultraviolet-visible as well as conductivity and magnetic susceptibility measurements are used to elucidate the structure of the newly prepared metal complexes. The structures of copper(II) complexes are also assigned based upon ESR spectra study. All the complexes separated with the stoichiometric ratio (1:1) (M:L) except Mn-H 4La and Mn-H 4Lb with (2:1) (M:L) molar ratio. In metal chelates of the type 1:1 (M:L), the Schiff bases behave as a dinegative N 2O 2 tetradentate ligands. Moreover in 2:1 (M:L) complexes, the Schiff base molecules act as mono negative bidentate ligand and binuclear complex is then formed. The Schiff bases were assayed by the disc diffusion method for antibacterial activity against Staphylococcus aureus and Escherichia coli. The antifungal activity of the Schiff bases was also evaluated against the fungi Aspergillus flavus and Candida albicans.

  3. Synthesis, characterization and in vitro anticancer activity of 18-membered octaazamacrocyclic complexes of Co(II), Ni(II), Cd(II) and Sn(II)

    Science.gov (United States)

    Kareem, Abdul; Zafar, Hina; Sherwani, Asif; Mohammad, Owais; Khan, Tahir Ali

    2014-10-01

    An effective series of 18 membered octaazamacrocyclic complexes of the type [MLX2], where X = Cl or NO3 have been synthesized by template condensation reaction of oxalyl dihydrazide with dibenzoylmethane and metal salt in 2:2:1 molar ratio. The formation of macrocyclic framework, stereochemistry and their overall geometry have been characterized by various physico-chemical studies viz., elemental analysis, electron spray ionization-mass spectrometry (ESI-MS), I.R, UV-Vis, 1H NMR, 13C NMR spectroscopy, X-ray diffraction (XRD) and TGA/DTA studies. These studies suggest formation of octahedral macrocyclic complexes of Co(II), Ni(II), Cd(II) and Sn(II). The molar conductance values suggest nonelectrolytic nature for all the complexes. Thermogravimatric analysis shows that all the complexes are stable up to 600 °C. All these complexes have been tested against different human cancer cell lines i.e. human hepatocellular carcinoma (Hep3B), human cervical carcinoma (HeLa), human breast adenocarcinoma (MCF7) and normal cells (PBMC). The newly synthesized 18-membered octaazamacrocyclic complexes during in vitro anticancer evaluation, displayed moderate to good cytotoxicity on liver (Hep3B), cervical (HeLa) and breast (MCF7) cancer cell lines, respectively. The most effective anticancer cadmium complex (C34H28N10CdO10) was found to be active with IC50 values, 2.44 ± 1.500, 3.55 ± 1.600 and 4.82 ± 1.400 in micro-molar on liver, cervical and breast cancer cell lines, respectively.

  4. A Hirshfeld surface analysis, synthesis, structure and characterization of a new Ni(II) diamagnetic complex with the bidentate ligand homopiperazine

    Science.gov (United States)

    Klai, Kacem; Kaabi, Kamel; Jelsch, Christian; Wenger, Emmanuel; Lefebvre, Frédéric; Ben Nasr, Cherif

    2017-11-01

    A new Ni(II) complex with the bidentate ligand homopiperazine, [Ni(C5H12N2)2](CH3COO)2.4H2O, has been prepared and characterized by single crystal X-ray diffraction, elemental analysis and IR spectroscopy. The basic coordination patterns of the homopiperazine coordinated metal cations are slightly distorted square planar. In the atomic arrangement, the cationic complexes [Ni(C5H12N2)2]2+ are interconnected by the CH3COO-anions via Nsbnd H⋯O and Csbnd H⋯O hydrogen bonds to form layers parallel to the (a, b) plane. These layers are connected by hydrogen bonds generated with water molecules to build a three dimensional network. The charge density of the compound could be refined from X-ray diffraction data measured at cryogenic temperature. Intermolecular interactions were investigated by Hirshfeld surfaces. The title compound is diamagnetic as confirmed by theoretical calculations, allowing its 13C and 15N solid-state NMR spectra to be recorded. Absorption bands were identified by infrared spectroscopy. Electronic properties such as HOMO and LUMO energies were also obtained.

  5. p-halo N4-phenyl substituted thiosemicarbazones: Crystal structure, supramolecular architecture, characterization and bio-assay of their Co(III) and Ni(II) complexes

    Science.gov (United States)

    Kotian, Avinash; Kumara, Karthik; Kamat, Vinayak; Naik, Krishna; Kokare, Dhoolesh G.; Nevrekar, Anupama; Lokanath, Neratur Krishnappagowda; Revankar, Vidyanand K.

    2018-03-01

    In the present work, three potential metal ion chelating ligands, p-halo N4-phenyl substituted thiosemicarbazones are synthesized and characterized. The molecular structure of all (E)-4-(4-halophenyl)-1-(3-hydroxyiminobutan-2-ylidene) thiosemicarbazones (halo = F/Cl/Br) are determined by single crystal X-ray diffraction method. All the molecules have crystallized in monoclinic crystal system with P21/n space group. The ligands show Csbnd H⋯S and Nsbnd H⋯S intermolecular interactions, which are responsible to form the supramolecular self-assemblies through R22(8), R22(12) and R22(14) ring motifs. Hirshfeld surface analysis is carried out to explore the intermolecular interactions. A series of Co(III) and Ni(II) mononuclear transition metal complexes derived from these ligands have been synthesized and characterized by various spectro-analytical methods. The metal to ligand stoichiometry has been found to be 1:2 in all the complexes. The synthesized compounds have been investigated for their in vitro antimicrobial potencies. The compounds are found to be more active than the standard used, in the case of E. coli and A. niger. Additionally, they are also screened for their in vitro antitubercular activity.

  6. Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases. Part 2: aldol, Mannich addition reactions, deracemization and (S) to (R) interconversion of α-amino acids.

    Science.gov (United States)

    Sorochinsky, Alexander E; Aceña, José Luis; Moriwaki, Hiroki; Sato, Tatsunori; Soloshonok, Vadim

    2013-11-01

    This review provides a comprehensive treatment of literature data dealing with asymmetric synthesis of α-amino-β-hydroxy and α,β-diamino acids via homologation of chiral Ni(II) complexes of glycine Schiff bases using aldol and Mannich-type reactions. These reactions proceed with synthetically useful chemical yields and thermodynamically controlled stereoselectivity and allow direct introduction of two stereogenic centers in a single operation with predictable stereochemical outcome. Furthermore, new application of Ni(II) complexes of α-amino acids Schiff bases for deracemization of racemic α-amino acids and (S) to (R) interconversion providing additional synthetic opportunities for preparation of enantiomerically pure α-amino acids, is also reviewed. Origin of observed diastereo-/enantioselectivity in the aldol, Mannich-type and deracemization reactions, generality and limitations of these methodologies are critically discussed.

  7. Synthesis and stereochemical assignments of diastereomeric Ni(II) complexes of glycine Schiff base with (R)-2-(N-{2-[N-alkyl-N-(1-phenylethyl)amino]acetyl}amino)benzophenone; a case of configurationally stable stereogenic nitrogen.

    Science.gov (United States)

    Moriwaki, Hiroki; Resch, Daniel; Li, Hengguang; Ojima, Iwao; Takeda, Ryosuke; Aceña, José Luis; Soloshonok, Vadim A

    2014-01-01

    A family of chiral ligands derived from α-phenylethylamine and 2-aminobenzophenone were prepared by alkylation of the nitrogen atom. Upon reaction with glycine and a Ni(II) salt, these ligands were transformed into diastereomeric complexes, as a result of the configurational stability of the stereogenic nitrogen atom. Different diastereomeric ratios were observed depending on the substituent R introduced in the starting ligand, and stereochemical assignments were based on X-ray analysis, along with NMR studies and optical rotation measurements.

  8. Synthesis, characterization and physicochemical studies of new chelating resin 1, 8-(3, 6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes

    Science.gov (United States)

    Khalil, Tarek E.; Elbadawy, Hemmat A.; El-Dissouky, Ali

    2018-02-01

    A new chelating resin, 1,8-(3,6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) has been synthesized by coupling Amberlite XAD-16 with (2,2‧-ethylenedithio) diethanol using pyridine/CH2Cl2 mixture as a solvent. The chelating resin and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes have been synthesized and characterized by EDS, SEM, XPS, elemental analysis, spectral (IR, UV/Vis, EPR). The thermal analysis of the resin and its metallopolymer complexes indicated an endothermic spontaneous sorption mechanism with the liberation of water of hydration of the metal ions and that adsorbed by the free resin. At the solid liquid interface, the degrees of freedom increased during the sorption of the metal ions onto the resin. The surface area of polymer support and its metallopolymer complexes are estimated by (BJH) method. The batch equilibrium method was used for studying the metal sorption and selectivity at different pH values and different contact times at room temperature. ICP-AES was used to estimate the metal capacity of the resin for sorption of Cu(II), Ni(II), Co(II) and Fe(III) from aqueous solutions utilizing the batch equilibrium method. The sorption tendency of the metal ions by the resin was found to be: Cu(II) > Fe(III) > Co(II) > Ni(II). Adsorption kinetics was found to be fit the pseudo-second order model.

  9. Micellar effect on metal-ligand complexes of Co(II, Ni(II, Cu(II and Zn(II with citric acid

    Directory of Open Access Journals (Sweden)

    Nageswara Rao Gollapalli

    2009-12-01

    Full Text Available Chemical speciation of citric acid complexes of Co(II, Ni(II, Cu(II and Zn(II was investigated pH-metrically in 0.0-2.5% anionic, cationic and neutral micellar media. The primary alkalimetric data were pruned with SCPHD program. The existence of different binary species was established from modeling studies using the computer program MINIQUAD75. Alkalimetric titrations were carried out in different relative concentrations (M:L:X = 1:2:5, 1:3:5, 1:5:3 of metal (M to citric acid. The selection of best chemical models was based on statistical parameters and residual analysis. The species detected were MLH, ML2, ML2H and ML2H2. The trend in variation of stability constants with change in mole fraction of the medium is explained on the basis of electrostatic and non-electrostatic forces. Distributions of the species with pH at different compositions of micellar media are also presented.

  10. Two new Ni(II) supramolecular complexes based on ethyl isonicotinate and ethyl nicotinate for removal of acid blue 92 dye

    Science.gov (United States)

    Etaiw, Safaa El-din H.; Marie, Hassan

    2018-03-01

    Two new luminescent supramolecular complexes (SC); [Ni(EIN)4(NCS)2] SC1 and [Ni2(EN)8(NCS)4] SC2, (EIN = ethyl isonicotinate, EN = ethyl nicotinate), have been synthesized by self-assembly method and structurally characterized by X-ray single crystal, FT-IR and UV-Vis spectra, PXRD, elemental and thermogravimetric analyses. Both SC1 and SC2 are monoclinic crystals however, they have different asymmetric units. Ni(II) atoms in both SC are isostructural and have similar hexa-coordinate environment. The structures of SC1 and SC2 consist of parallel polymeric 1D-chains, extended in two and three dimensional supramolecular frameworks by intermolecular hydrogen bonding interactions. SC1 and SC2 are luminescent materials which can be used in applications as molecular sensing systems. SC1 and SC2 were used as heterogeneous catalysts for degradation of acid blue 92 (AB-92) under sun light irradiation. The fluorescence measurements of terephthalic acid technique as a probe molecule were used to determine the •OH radicals. Also the radicals trapping experiments using isopropanol alcohol (IPA) as radical scavenger were discussed. In addition a mechanism of degradation was proposed and discussed.

  11. Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study.

    Science.gov (United States)

    Botana, Luis; Ruiz, José; Mota, Antonio J; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique

    2014-09-28

    This work reports the syntheses, crystal structures, magnetic properties and DFT calculations of six novel polynuclear NiII compounds [Ni2(μ-HL1)2(μ-N3)]N3·(CH3OH)2·2H2O (1), [Ni2(μ-HL1)2(μ-N3)][Na2Ni2(μ-L1)2(μ-N3)2(CH3OH)(N3)]·4CH3OH (2), [Ni4(μ-L1)2(μ-N3)4(CH3OH)2]·2CH3OH (3), [Na2Ni4(μ-L1)2(μ-OAc)2(μ-N3)4(CH3OH)4]·2CH3OH (4), [Ni4(μ-L1)2(μ-Cl)2(Cl)2] (5), and [Ni3(μ-L1)2(acac)2(H2O)2] (6), with uncommon structures and rare mixed-bridges between NiII ions, which were prepared from the versatile polytopic Mannich base ligand N,N′-dimethyl-N,N′-bis(2-hydroxy-3-methoxy-5-methylbenzyl)ethylenediamine (H2L1). The anionic coligand (azide, chloride, acetate and acetylacetonate) and reaction conditions play crucial roles in determining the final structure of these compounds and consequently their magnetic properties. Compound 1 contains a Ni2 cationic unit with rare di-μ-phenoxido/μ1,1-azide triple mixed bridges whereas complex 2 is made from the same Ni2 cationic unit as 1, cocrystallized with Na2Ni2 neutral units, in which double μ1,1,1-azide bridges connect the NiII and NaI anions. Complexes 3 and 4 are Ni4 complexes with defective dicubane and linear structures, respectively. Complex 3 has two distinct types of mixed bridges, μ-phenoxido/μ1,1,1-azido and μ1,1-azido/μ1,1,1-azido and a double di-μ1,1,1-azido bridge, the latter connecting the face-sharing NiII ions. In 4, rare μ-phenoxido/μ1,1-azide/syn–syn acetate triple mixed bridges connect central and terminal NiII atoms whereas a double μ1,1-azide planar bridging fragment links the central NiII ions. Complex 5 has a defective-dicubane structure with double μ-phenoxido/μ3-chloro mixed bridges and di-μ3-chloro bridges, whereas complex 6 has a bent structure with very uncommon single μ-phenoxido bridges. The analysis of the magnetic properties reveals that in complexes 1–4 all magnetic pathways transmit ferromagnetic interactions leading to S = 2 ground states for 1 and 2 and

  12. Synthesis and structure of 1,3-dimethyl-5-(p-sulfonamide-phenylazo)-6-aminouracil and its Ni(II) complex: Topological insights and investigation for noncovalent interactions

    Science.gov (United States)

    Debnath, Diptanu; Roy, Subhadip; Purkayastha, Atanu; Bauzá, Antonio; Choudhury, Rupasree; Ganguly, Rakesh; Frontera, Antonio; Misra, Tarun Kumar

    2017-08-01

    The azo-derivative, 1,3-dimethyl-5-(p-sulfonamide-phenylazo)-6-aminouracil (HL) containing 6-aminouracil (a biomolecule) and sulfonamide functionality (commonly found in sulfa-drugs), and its Ni(II) complex, NiIIL2 were synthesized. Single-crystal X-ray diffraction studies show that the ligand (HL) consists of an E conformation about the azo-linkage with a nearly planar geometry and the complex possesses distorted square planar geometry. The H-bonded underlying networks of HL and NiIIL2 were topologically classified revealing distinct topological types, namely tts and hxl, respectively. Moreover, topology of molecular packings in HL and NiIIL2 has also been discussed. Density functional theory (DFT) calculations, at the M06-2X/def2TZVP level of theory, are employed to characterize a great variety of non-covalent interactions that explicitly show the importance of antiparallel stacking interactions established by π--π+ interactions and H-bonds in the self-assembled dimmers in HL and lp-π/C-H⋯π interactions in NiIIL2. The results of NMR and UV-vis spectroscopies evidence that the ligand exists in hydrazone-imine-keto (B) tautomeric form in solution. The ligand absorption bands consist of the overlapping bands of π→π* and n→π* transitions. The complex experiences electronic transitions that consist of basically ILCT in character with some sort of participation of the atomic d-orbitals of the nickel. The pKa value of the ligand is found to be 4.09.

  13. Diastereoselective synthesis of γ-lactones through reaction of enediolates with α,β-unsaturated sulfoxonium salts.

    Science.gov (United States)

    Peraino, Nicholas J; Wheeler, Kraig A; Kerrigan, Nessan J

    2015-04-03

    Studies of the reaction of lithium enediolates with α,β-unsaturated sulfoxonium salts are described. γ-Lactones were formed in very good to excellent yields (82% → 99% for 11 examples) and with very good to excellent diastereoselectivity (dr >90:10 for 10 examples), favoring the trans-diastereomer.

  14. Synthesis, characterization and anti-microbial activity of a novel macrocyclic ligand derived from the reaction of 2,6-pyridinedicarboxylic acid with homopiperazine and its Co(II), Ni(II), Cu(II), and Zn(II) complexes

    Science.gov (United States)

    Soleimani, Esmaiel

    2011-05-01

    The preparation of a novel macrocyclic ligand ( 1), N,N'-diethylhomopiperazinyl,2,6-pyridinedicarboxylate and its Co(II), Ni(II), Cu(II), and Zn(II) complexes are described. The ligand was prepared in EtOH from the reaction of dipotassium salt of 2,6-pyridinedicarboxylic acid with 1,2-dibromoethane in the presence of homopiperazine. Reaction of macrocyclic ligand ( 1) in EtOH with CoCl 2.6H 2O, NiCl 2.6H 2O, CuCl 2.2H 2O, and ZnCl 2·2H 2O yielded the complexes with the general formula [M(L)Cl 2] {where M = Co(II) ( 2), Ni(II) ( 3), Cu(II) ( 4), Zn ( 5), respectively}. The analysis of IR, 1H and 13C NMR spectral data of macrocyclic ligand ( 1) and its Zn(II) complex ( 5) together with their molar conductivity values, and the magnetic moments of the complexes suggest that the macrocyclic ligand ( 1) is bonded to metal(II) ions through two oxygen atoms of ester moiety and the two nitrogen atoms of homopiperazine ring. The electronic spectral data of these complexes in DMSO are in good agreement with the octahedral coordination of M(II) ions. The ligand field parameters for these complexes, i.e. splitting energy and Racah parameter were calculated to be 14,945 and 673 cm -1 for the Co(II) ( 2), 16,260 and 774 cm -1 for the Ni(II) ( 3) complexes respectively. The spliting energy of 17,262 cm -1 was obtained for the Cu(II) complex ( 4).

  15. Coordination behavior of tetraaza [N4] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: Synthesis, spectroscopic characterization and anticancer activity

    Science.gov (United States)

    El-Boraey, Hanaa A.

    2012-11-01

    Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N4] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate dx2-y2 ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC50 = 25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line.

  16. Disorder and intermolecular interactions in a family of tetranuclear Ni(II) complexes probed by high-frequency electron paramagnetic resonance.

    Science.gov (United States)

    Lawrence, Jon; Yang, En-Che; Edwards, Rachel; Olmstead, Marilyn M; Ramsey, Chris; Dalal, Naresh S; Gantzel, Peter K; Hill, Stephen; Hendrickson, David N

    2008-03-17

    High-frequency electron paramagnetic resonance (HFEPR) data are presented for four closely related tetranuclear Ni(II) complexes, [Ni(hmp)(MeOH)Cl]4.H2O (1a), [Ni(hmp)(MeOH)Br]4.H2O (1b), [Ni(hmp)(EtOH)Cl]4.H2O (2), and [Ni(hmp)(dmb)Cl]4 (3) (where hmp(-) is the anion of 2-hydroxymethylpyridine and dmb is 3,3'-dimethyl-1-butanol), which exhibit magnetic bistability (hysteresis) and fast magnetization tunneling at low temperatures, properties which suggest they are single-molecule magnets (SMMs). The HFEPR spectra confirm spin S = 4 ground states and dominant uniaxial anisotropy (DSz(2), D SMM. The individual fine structure peaks (due to zero-field splitting) for complexes 1a, 1b, and 2 are rather broad. They also exhibit further (significant) splitting, which can be explained by the fact that there exists two crystallographically distinct Ni 4 sites in the lattices for these complexes, with associated differences in metal-ligand bond lengths and different zero-field splitting (ZFS) parameters. The broad EPR lines, meanwhile, may be attributed to ligand and solvent disorder, which results in additional distributions of microenvironments. In the case of complex 3, there are no solvate molecules in the structure, and only one distinct Ni 4 molecule in the lattice. Consequently, the HFEPR data for complex 3 are extremely sharp. As the temperature of a crystal of complex 3 is decreased, the HFEPR spectrum splits abruptly at approximately 46 K into two patterns with very slightly different ZFS parameters. Heat capacity data suggest that this is caused by a structural transition at 46.6 K. A single-crystal X-ray structure at 12(2) K indicates large thermal parameters on the terminal methyl groups of the dmb (3,3-dimethyl-1-butanol) ligand. Most likely there exists dynamic disorder of parts of the dmb ligand above 46.6 K; an order-disorder structural phase transition at 46.6 K then removes some of the motion. A further decrease in temperature (<6 K) leads to further fine

  17. Nanostructured catalysts for oxygen electroreduction based on bimetallic monoethanolamine complexes of Co(III) and Ni(II)

    Czech Academy of Sciences Publication Activity Database

    Pirskyy, Y.; Murafa, Nataliya; Korduban, A.M.; Šubrt, Jan

    2014-01-01

    Roč. 44, č. 11 (2014), s. 1193-1203 ISSN 0021-891X Institutional support: RVO:61388980 Keywords : Electrochemistry * Oxygen electroreduction * Electrocatalysts * Monoethanolamine complexes * Nanostructure Subject RIV: CA - Inorganic Chemistry Impact factor: 2.409, year: 2014

  18. Synthesis, crystal structures, molecular docking and urease inhibition studies of Ni(II) and Cu(II) Schiff base complexes

    Science.gov (United States)

    Sangeeta, S.; Ahmad, K.; Noorussabah, N.; Bharti, S.; Mishra, M. K.; Sharma, S. R.; Choudhary, M.

    2018-03-01

    [Ni(L)2] 1 and [Cu(L)2] 2 [HL = 2-((E)-(2-methoxyphenylimino)methyl)-4,6-dichlorophenol] Schiff base complexes have been successfully synthesized and were characterized by FT-IR, UV-Vis, fluorescence spectroscopy and thermogravimetric analysis. The crystal structures of the two complexes were determined through X-ray crystallography. Its inhibitory activity against Helicobacter pylori urease was evaluated in vitro and showed strong inhibitory activity against H. pylori urease compared with acetohydroxamic acid (IC50 = 42.12 μmolL-1), which is a positive reference. A docking analysis using the AutoDock 4.0 program could explain the inhibitory activity of the complex against urease.

  19. Speciation of Co(II), Ni(II) and Cu(II) Complexes with L-Glutamic ...

    African Journals Online (AJOL)

    NICO

    2011-08-10

    Aug 10, 2011 ... Speciation studies of essential metal ion complexes of. L-glutamic acid (Glu) are useful1–4 for the understanding of the role played by active site cavities in biological molecules and the binding behaviour of protein residues with metal ions. Cobalt in the form of vitamin B12 or one of the cobinamides is.

  20. Synthesis, spectroscopic characterization, molecular modeling and potentiometric studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes with 1,1-diaminobutane-Schiff base

    Science.gov (United States)

    Alaghaz, Abdel-Nasser M. A.

    2014-08-01

    Complexes of cobalt(II), nickel(II), copper(II) and zinc(II) of general composition [M(L)(H2O)2]·2H2O have been synthesized [L = N,N";-bis(2-hydroxybenzylidene)-1,1-diaminobutane]. The elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, IR, UV, NMR, SEM, EDX, thermal and EPR spectral studies of the compounds led to the conclusion that the ligand acts as a tetradentate manner. The molar conductance of the complexes in fresh solution of DMSO lies in the range of 7.46-9.13 Ω-1 cm2 mol-1 indicating their non-electrolytic behavior. On the basis of analytical and spectroscopic techniques, octahedral geometry of the complexes was proposed. The Schiff base acts as tetradentate ligand, coordinated through deprotonated phenolic oxygen and azomethine nitrogen atoms. The ligand field parameters were calculated for Co(II), Ni(II) and Cu(II) complexes and their values were found in the range reported for a octahedral structure. The molecular parameters of the ligand and its Co(II), Ni(II), Cu(II) and Zn(II) complexes have been calculated. Protonation constants of Schiff base and stability constants of their binary metal complexes have been determined potentiometrically in 50% DMSO-water media at 25 °C and ionic strength 0.10 M sodium perchlorate.

  1. Thermodynamic Modeling of Poorly Complexing Metals in Concentrated Electrolyte Solutions: An X-Ray Absorption and UV-Vis Spectroscopic Study of Ni(II) in the NiCl2-MgCl2-H2O System

    Science.gov (United States)

    Zhang, Ning; Brugger, Joël; Etschmann, Barbara; Ngothai, Yung; Zeng, Dewen

    2015-01-01

    Knowledge of the structure and speciation of aqueous Ni(II)-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II) in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS) and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration) occurs. Both methods confirm that the Ni(II) aqua ion (with six coordinated water molecules at RNi-O = 2.07(2) Å) is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg-1 NiCl2), which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23) Cl at a Ni-Cl distance of 2.35(2) Å in 5.05 mol∙kg-1 NiCl2) in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE) model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II) speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system. PMID:25885410

  2. Thermodynamic modeling of poorly complexing metals in concentrated electrolyte solutions: an X-ray absorption and UV-Vis spectroscopic study of Ni(II in the NiCl2-MgCl2-H2O system.

    Directory of Open Access Journals (Sweden)

    Ning Zhang

    Full Text Available Knowledge of the structure and speciation of aqueous Ni(II-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration occurs. Both methods confirm that the Ni(II aqua ion (with six coordinated water molecules at RNi-O = 2.07(2 Å is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg(-1 NiCl2, which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23 Cl at a Ni-Cl distance of 2.35(2 Å in 5.05 mol∙kg(-1 NiCl2 in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system.

  3. Synthesis and stereochemical assignments of diastereomeric Ni(II complexes of glycine Schiff base with (R-2-(N-{2-[N-alkyl-N-(1-phenylethylamino]acetyl}aminobenzophenone; a case of configurationally stable stereogenic nitrogen

    Directory of Open Access Journals (Sweden)

    Hiroki Moriwaki

    2014-02-01

    Full Text Available A family of chiral ligands derived from α-phenylethylamine and 2-aminobenzophenone were prepared by alkylation of the nitrogen atom. Upon reaction with glycine and a Ni(II salt, these ligands were transformed into diastereomeric complexes, as a result of the configurational stability of the stereogenic nitrogen atom. Different diastereomeric ratios were observed depending on the substituent R introduced in the starting ligand, and stereochemical assignments were based on X-ray analysis, along with NMR studies and optical rotation measurements.

  4. Synthesis, experimental and DFT characterization of the 2-((E)-(2-[(E)-2,3-Dihydroxybenzylideneamino]-5-methylphenyl)iminiomethyl)-6-hydroxyphenolate and its Ni(II) and Cu(II) complexes

    Science.gov (United States)

    Beyramabadi, S. Ali; Esmaeili, Bahareh; Gharib, Azar; Khorsandi-Chenarboo, Mahdi; Morsali, Ali; Khashi, Maryam; Sanavi-Khoshnood, Razieh

    2017-10-01

    Herein, the 2-((E)-(2-[(E)-2,3-Dihydroxybenzylideneamino]-5-methylphenyl)iminiomethyl)-6-hydroxyphenolate dbnd H2L Schiff base and its Ni(II) and Cu(II) complexes were synthesized. In addition to experimental characterization, their optimized geometries, tautomerism of the H2L, assignment of the IR bands and NMR chemical shifts, Fukui functions and the Natural Bond Orbital (NBO) analysis were computed by employing the density functional theory (DFT) methods. The H2L salen-type Schiff base can exist as mixture of four possible tautomers, tautomerization of which has low barrier energy in methanol solution. For complexation, the H2L loses two phenolic protons to produce the L2- species, which acts as a dianionic tetradentate ligand. Based on the Fukui functions, the two deprotonated phenolic oxygens and two azomethine nitrogens are the four donating atoms and occupy the four coordination positions in the square-planar structure of the Ni(II) and Cu(II) complexes. In comparison with the its free form, the coordinated ligand shows a more planar structure in the optimized geometries of the complexes. The high-energy gaps of the frontier orbitals confirm that all three investigated compounds are stable.

  5. Preparation and Spectral Properties of Mixed-Ligand Complexes of VO(IV, Ni(II, Zn(II, Pd(II, Cd(II and Pb(II with Dimethylglyoxime and N-acetylglycine

    Directory of Open Access Journals (Sweden)

    Shayma A. Shaker

    2010-01-01

    Full Text Available A number of mixed-ligand complexes of the general formula [M(D(G] where D=dimethylglyoximato monoanion, G=N-acetylglycinato and M=VO(IV, Ni(II, Zn(II, Pd(II, Cd(II and Pb(II were prepared. Each complex was characterized by elemental analysis, determination of metal, infrared spectra, electronic spectra, (1H and 13C NMR spectra, conductivity and magnetic moments. All these complexes were not soluble in some of the organic solvent but highly soluble in dimethylformamide. The conductivity data showed the non-electrolytic nature of the complexes. The electronic spectra exhibited absorption bands in the visible region caused by the d-d electronic transition such as VO(IV, Ni(II and Pd(II. The IR and (1H, 13C NMR spectra which have indicate that the dimethylglyoxime was coordinated with the metal ions through the N and O atoms of the oxime group and N-acetylglycine was coordinated with metal ions through the N atom and terminal carboxyl oxygen atom.

  6. Spectroscopic and thermal degradation behavior of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes with thiopental sodium anesthesia drug

    Science.gov (United States)

    Refat, Moamen S.

    2013-04-01

    A new series of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes have been synthesized with thiopental sodium anesthesia drug. The elemental analyses of the complexes are confined to stoichiometry of the formulas [M(TPL)3]ṡnH2O (M = Cr(III) or Fe(III); n = 6 or 5), [M(TPL)2(H2O)2]ṡnH2O (M = Mn(II), Co(II) or Ni(II); n = 0 or 4), and [M(TPL)2] (M = Cu(II) or Zn(II); n = 2 or 0) respectively, where TPL is thiopental chelating agent. Structures have been discussed and suggested upon elemental analyses, infrared, Raman, electronic, electron spin resonance, 1H NMR spectral data and magnetic studies. The X-ray powder diffraction (XRD) was performed of metal complexes. The XRD patterns indicate crystalline nature for the complexes. The measured low molar conductance values in dimethylsulfoxide indicate that the complexes are non-electrolyte nature. Spectroscopic discussion refer that coordination take place through three types: Cdbnd N (pyrimidine moiety) nitrogen and C2sbnd S (2-thiolate group) for Cr(III), Mn(II) and Fe(III), C6dbnd O (amido group) oxygen and C2sbnd S (2-thiolate group) for Co(II) and Ni(II), and Cu(II) and Zn(II) ions coordinated via Cdbnd N (pyrimidine moiety) nitrogen, C2dbnd S (2-thiolate group) and C6dbnd O (amido group) oxygen, respectively. The thermal behavior (TG/DTG/DTA) of the complexes was studied and kinetic parameters were determined by Horowitz-Metzger and Coats-Redfern methods. The thiopental and its complexes have been screened for their antimicrobial (G+ and G-) bacteria (Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Pseudomonas aeruginosa) and fungi (Aspergillus flavus and Candida albicans) activities by minimum inhibitory concentration (MIC) method.

  7. Chemical speciation of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II binary complexes of l-methionine in 1,2-propanediol-water mixtures

    Directory of Open Access Journals (Sweden)

    M. Padma Latha

    2007-04-01

    Full Text Available Chemical speciation of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II complexes of L-methionine in 0.0-60 % v/v 1,2-propanediol-water mixtures maintaining an ionic strength of 0.16 M at 303 K has been studied pH metrically. The active forms of ligand are LH2+, LH and L-. The predominant species detected are ML, MLH, ML2, ML2H, ML2H2 and MLOH. Models containing different numbers of species were refined by using the computer program MINIQUAD 75. The best-fit chemical models were arrived at based on statistical parameters. The trend in variation of complex stability constants with change in the dielectric constant of the medium is explained on the basis of electrostatic and non-electrostatic forces.

  8. Synthesis and characterization of VO(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes of chromone based azo-linked Schiff base ligand.

    Science.gov (United States)

    Anitha, C; Sheela, C D; Tharmaraj, P; Johnson Raja, S

    2012-12-01

    Azo-Schiff-base complexes of VO(II), Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized and characterized by elemental analysis, IR, UV-Vis, (1)H NMR, mass spectra, molar conductance, magnetic susceptibility measurement, electron spin resonance (EPR), CV, fluorescence, NLO and SEM. The conductance data indicate the nonelectrolytic nature of the complexes, except VO(II) complex which is electrolytic in nature. On the basis of electronic spectra and magnetic susceptibility octahedral geometry has been proposed for the complexes. The EPR spectra of copper and oxovanadium complexes in DMSO at 300 and 77K were recorded and its salient features are reported. The redox behavior of the copper(II) complex was studied using cyclic voltammetry. The in vitro antimicrobial activity against Staphylococcus aureus, Escherichia coli, Salmonella enterica typhi, Bacillus subtilis and Candida strains was studied and compared with that of free ligand by well-diffusion technique. The azo Schiff base exhibited fluorescence properties originating from intraligand (π-π(*)) transitions and metal-mediated enhancement is observed on complexation and so the synthesized complexes can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. On the basis of the optimized structures, the second-order nonlinear optical properties (NLO) are calculated by using second-harmonic generation (SHG) and also the surface morphology of the complexes was studied by SEM. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. Synthesis, spectroscopic characterization, DNA interaction and biological activities of Mn(II), Co(II), Ni(II) and Cu(II) complexes with [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol

    Science.gov (United States)

    Gaber, Mohamed; El-Wakiel, Nadia A.; El-Ghamry, Hoda; Fathalla, Shaimaa K.

    2014-11-01

    Manganese(II), cobalt(II), nickel(II) and copper(II) complexes of [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol have been synthesized. The structure of complexes have been characterized by elemental analysis, molar conductance, magnetic moment measurements and spectral (IR, 1H NMR, EI-mass, UV-Vis and ESR), and thermal studies. The results showed that the chloro and nitrato Cu(II) complexes have octahedral geometry while Ni(II), Co(II) and Mn(II) complexes in addition to acetato Cu(II) complex have tetrahedral geometry. The possible structures of the metal complexes have been computed using the molecular mechanic calculations using the hyper chem. 8.03 molecular modeling program to confirm the proposed structures. The kinetic and thermodynamic parameters of the thermal decomposition steps were calculated from the TG curves. The binding modes of the complexes with DNA have been investigated by UV-Vis absorption titration. The results showed that the mode of binding of the complexes to DNA is intercalative or non-intercalative binding modes. Schiff base and its metal complexes have been screened for their in vitro antimicrobial activities against Gram positive bacteria (Staphylococcus aureus), Gram negative bacteria (Escherichia coli and Pesudomonas aeruginosa), fungi (Asperigllus flavus and Mucer) and yeast (Candida albicans and Malassezia furfur).

  10. Crystal structure, DNA binding, cleavage, antioxidant and antibacterial studies of Cu(II), Ni(II) and Co(III) complexes with 2-((furan-2-yl)methylimino)methyl)-6-ethoxyphenol Schiff base

    Science.gov (United States)

    Venkateswarlu, Kadtala; Kumar, Marri Pradeep; Rambabu, Aveli; Vamsikrishna, Narendrula; Daravath, Sreenu; Rangan, Krishnan; Shivaraj

    2018-05-01

    Three novel binary metal complexes; 1 [Cu(L)2], 2 [Ni(L)2] and 3 [Co(L)3] where, L (2-(((furan-2-yl) methylimino)methyl)-6-ethoxyphenol, C14H15NO3), were synthesized and characterized by various spectral techniques. Based on spectral studies square planar geometry is assigned for Cu(II) and Ni(II) complexes, whereas Co(III) owned octahedral geometry. Ligand, [Cu(L)2] and [Ni(L)2] are crystallized and found to be monoclinic crystal systems. CT-DNA absorption binding studies revealed that the complexes show good binding propensity (Kb = 5.02 × 103 M-1, 2.77 × 103 M-1, 1.63 × 104 M-1 for 1, 2 and 3 respectively). The role of these complexes in the oxidative and photolytic cleavage of supercoiled pBR322 DNA was studied and found that the complexes cleave the pBR322 DNA effectively. The catalytic ability of 1, 2 and 3 follows the order: 3 > 1 >2. Antioxidant studies of the new complexes revealed that they exhibit significant antioxidant activity against DPPH radical. The Schiff base and its metal complexes have been screened for antibacterial studies by Minimum Inhibitory Concentration method. It is observed that all metal complexes showed more activity than free ligand.

  11. Synthesis and characterization of heterobimetallic complexes of the type [Cu(pn2][MCl4] where M = Co(II, Ni(II, Cu(II, Zn(II, Cd(II, and Hg(II

    Directory of Open Access Journals (Sweden)

    Seema Yadav

    2016-11-01

    Full Text Available A series of new bimetallic transition metal complexes of the type [Cu(pn2] [MCl4] have been synthesized (where M = Co(II, Ni(II, Cu(II, Zn(II, Cd(II and Hg(II, pn = 1,3-diaminopropane and characterized by elemental analysis, molar conductance, TGA, IR and electronic spectra. All the compounds are 1:1 electrolyte in DMF. The Cu(II ion is square-planar while metal ions in the anionic moiety acquire their usual tetrahedral arrangement. On the basis of these studies it is concluded that anionic moiety is electrically stabilized by its cationic counterpart.

  12. Structural alteration of hexagonal birnessite by aqueous Mn(II): Impacts on Ni(II) sorption

    Energy Technology Data Exchange (ETDEWEB)

    Lefkowitz, Joshua P.; Elzinga, Evert J.

    2017-09-01

    We studied the impacts of aqueous Mn(II) (1 mM) on the sorption of Ni(II) (200 μM) by hexagonal birnessite (0.1 g L- 1) at pH 6.5 and 7.5 with batch experiments and XRD, ATR-FTIR and Ni K-edge EXAFS analyses. In the absence of Mn(II)aq, sorbed Ni(II) was coordinated predominantly as triple corner-sharing complexes at layer vacancies at both pH values. Introduction of Mn(II)aq into Ni(II)-birnessite suspensions at pH 6.5 caused Ni(II) desorption and led to the formation of edge-sharing Ni(II) complexes. This was attributed to competitive displacement of Ni(II) from layer vacancies by either Mn(II) or by Mn(III) formed through interfacial Mn(II)-Mn(IV) comproportionation, and/or incorporation of Ni(II) into the birnessite lattice promoted by Mn(II)-catalyzed recrystallization of the sorbent. Similar to Mn(II)aq, the presence of HEPES or MES caused the formation of edge-sharing Ni(II) sorption complexes in Ni(II)-birnessite suspensions, which was attributed to partial reduction of the sorbent by the buffers. At pH 7.5, interaction with aqueous Mn(II) caused reductive transformation of birnessite into secondary feitknechtite that incorporated Ni(II), enhancing removal of Ni(II) from solution. These results demonstrate that reductive alteration of phyllomanganates may significantly affect the speciation and solubility of Ni(II) in anoxic and suboxic environments.

  13. Co(II), Ni(II) and Zn(II)

    Indian Academy of Sciences (India)

    Unknown

    161. Synthesis, characterisation and electrochemical behaviour of. Cu(II), Co(II), Ni(II) and Zn(II) complexes derived from acetylacetone and p-anisidine and their antimicrobial activity. N RAMAN*, V MUTHURAJ, S RAVICHANDRAN and. A KULANDAISAMY. Department of Chemistry, VHNSN College, Virudhunagar 626 001 ...

  14. Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine

    Science.gov (United States)

    Mohamed, Gehad G.; El-Gamel, Nadia E. A.

    2004-11-01

    The ternary piroxicam (Pir; 4-hydroxy-2-methyl- N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA cheletes were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

  15. Synthesis, Characterization, and Biological Activity of Mn(II, Fe(II, Co(II, Ni(II, Cu(II, Zn(II, and Cd(II Complexes of N-Thiophenoyl-N′-Phenylthiocarbohydrazide

    Directory of Open Access Journals (Sweden)

    M. Yadav

    2013-01-01

    Full Text Available Mn(II, Fe(II, Co(II, Ni(II, Cu(II, Zn(II, and Cd(II complex of N-thiophenoyl -N′-phenylthiocarbohydrazide (H2 TPTH have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, infrared, NMR, electronic, and ESR spectral studies. The complexes were found to have compositions [Mn(H TPTH2], [Co(TPTH (H2O2], [Ni(TPTH (H2O2], [Cu(TPTH], [Zn(H TPTH], [Cd(H TPTH2], and [Fe(H TPTH2(EtOH]. The magnetic and electronic spectral studies suggest square planar geometry for [Cu(TPTH], tetrahedral geometry for [Zn(TPTH] and [Cd(H TPTH2], and octahedral geometry for rest of the complexes. The infrared spectral studies of the 1 : 1 deprotonated complexes suggest bonding through enolic oxygen, thiolato sulfur, and both the hydrazinic nitrogens. Thus, H2TPTH acts as a binegative tetradentate ligand. H2 TPTH and its metal complexes have been screened against several bacteria and fungi.

  16. Mononuclear Ni(II) complexes of Schiff base ligands formed from unsymmetrical tripodal amines of differing arm lengths: Spectral, X-ray crystal structural, antimicrobial and DNA cleavage activity

    Science.gov (United States)

    Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Dhers, Sébastien; Küp, Fatma Öztürk; Güllü, Mithat; Ng, Seikweng

    2017-11-01

    The synthesis of two unsymmetrical N-capped tripodal amines, 2-((4-aminobutyl)(pyridin-2-ylmethyl)amino)ethanol (3) and 3-((2-aminoethyl)(pyridin-2-ylmethyl)amino)propan-1-ol (4) is reported. They feature a longer, 3-hydroxypropyl or butylamino arm than that in the analogues previously employed. All four tripodal amines, 1-4, are equipped with a 2-methylpyridyl-arm, and either an ethylamino-arm (1 and 4), propylamino-arm (2) or butylamino-arm (3). The amines, 3 and 4, have been employed in one pot condensation reactions with salicylaldehyde and its derivatives in the presence of Ni(II) metal ion. A series of new mononuclear complexes, [NiIILaldi](ClO4) or [NiIILaldi(solvent)](ClO4) with different geometry, of Schiff base ligands were generated. X-ray crystal structure determinations of [NiIILOMe3(H2O)](ClO4)·2H2O and [NiIILOMe4](ClO4) revealed them to be mononuclear. The Ni(II) ion in [NiIILOMe4](ClO4) complex is in a distorted square-planar environment whilst this ion is in distorted octahedral environment in [NiIILOMe3(H2O)](ClO4)·2H2O complex despite the longer arm length of L3. While, in related systems in our previous work, they had led to dimeric complexes. These results clearly showed that the variation of the arm lengths of the ligands and metal ions has a remarkable impact on the formation and structure of the complexes. The cleavage of DNA by all synthesised complexes was examined using gel electrophoresis experiments. Also, the antibacterial effects of components were determined against the three Gram-positive bacteria, and against the three Gram-negative bacteria and against the three yeast Candida albicans ATCC 10231, Candida krusei ATCC 1424 and Candida tropicalis ATCC 13803.

  17. The n-propyl 3-azido-2,3-dideoxy-β-D-arabino-hexopyranoside: Syntheses, crystal structure, physical properties and stability constants of their complexes with Cu(II), Ni(II) and VO(II)

    Science.gov (United States)

    Barabaś, Anna; Madura, Izabela D.; Marek, Paulina H.; Dąbrowska, Aleksandra M.

    2017-11-01

    The structure, conformation and configuration of the n-propyl 3-azido-2,3-dideoxy-β-D-arabino-hexopyranoside (BAra-nPr) were determined by 1H NMR, 13C NMR, and IR spectroscopy, as well as by optical rotation. The crystal structure was confirmed by single-crystal X-ray diffraction studies at room temperature. The compound crystallizes in P21 space group symmetry of the monoclinic system. The molecule has a 4C1 chair conformation with azide group in the equatorial position both in a solution as well as in the crystal. The spatial arrangement of azide group is compared to other previously determined azidosugars. The hydrogen bonds between the hydroxyl group of sugar molecules lead to a ribbon structure observed also for the ethyl homolog. The packing of ribbons is dependent on the alkyl substituent length and with the elongation changes from pseudohexagonal to lamellar. Acidity constants for the n-propyl 3-azido-2,3-dideoxy-β-D-arabino-hexopyranoside (BAra-nPr) in an aqueous solution were evaluated by the spectrophotometric and potentiometric titrations methods. Title compound exhibit blue absorption with the maximum wavelengths in the range of 266 nm and 306 nm. Based on these measurements we showed equilibria existing in a particular solution and a distribution of species which have formed during the titration. We also investigated interactions between Cu(II), Ni(II) and VO(II) and title compound (as ligand L) during complexometric titration. On these bases we identified that in [CuII-BAra-nPr]2+ the ratio of the ligand L to metal ion M(II) was 3:1, while in [NiII-BAra-nPr]2+ and [VOII-BAra-nPr]2+ complexes 2:1 ratios were found. The cumulative stability constants (as log β) occurring in an aqueous solution for the complexes of BAra-nPr with Cu(II), Ni(II) and VO(IV) were 14.57; 11.71 and 4.20, respectively.

  18. A mononuclear Ni(II) complex with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine: DNA- and BSA-binding and anticancer activity against human breast carcinoma cells.

    Science.gov (United States)

    Anjomshoa, Marzieh; Hadadzadeh, Hassan; Fatemi, Seyed Jamilaldin; Torkzadeh-Mahani, Masoud

    2015-02-05

    DNA- and BSA-binding properties of a mononuclear Ni(II) complex, [Ni(dppt)2Cl2] (dppt = 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), have been investigated under physiological conditions. The interaction of the complex with the fish sperm DNA (FS-DNA) has been studied by UV-Vis absorption, thermal denaturation, viscosity measurement, competitive DNA-binding studies with ethidium bromide (EB) by fluorescence, and gel electrophoresis technique. The experimental results indicate that the complex interacts with DNA by intercalative binding mode. The competitive study with ethidium bromide (EB) shows that the complex competes for the DNA-binding sites with EB and displaces the DNA-bound EB molecule. The interactions of the dppt ligand and the complex with BSA have been studied by UV-Vis absorption and fluorescence spectroscopic techniques. The values of Kb for the BSA-dppt and the BSA-complex systems at room temperature were calculated to be 0.14×10(4) M(-1) and 0.32×10(5) M(-1), respectively, indicating that the complex has stronger tendency to bind with BSA than the dppt ligand. The quenching constants (Ksv), binding constants (Kbin), and number of binding sites (n) at different temperatures, as well as the binding distance (r) and thermodynamic parameters (ΔH°, ΔS° and ΔG°) have been calculated for the BSA-dppt and the BSA-complex systems. The cytotoxicities of the dppt ligand and the complex have been also tested against the human breast adenocarcinoma (MCF-7) cell line using the MTT assay. The results indicate that the dppt ligand and the complex display cytotoxicity against human breast cancer cell lines (MCF-7) with the IC50 values of 17.35 μM and 13.00 μM, respectively. It is remarkable that the complex can introduce as a potential anticancer drug. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Asymmetric Synthesis of γ-Lactones through Koga Amine-Controlled Addition of Enediolates to α,β-Unsaturated Sulfoxonium Salts.

    Science.gov (United States)

    Peraino, Nicholas J; Kaster, Sven H; Wheeler, Kraig A; Kerrigan, Nessan J

    2017-01-06

    A chiral Koga amine-controlled asymmetric synthesis of cis-γ-lactones through a formal [3 + 2] cycloaddition of enediolates with α,β-unsaturated sulfoxonium salts is described. The desired structural motif was formed in moderate to good yields (50-71% for 13 examples), with good to very good diastereoselectivity (dr 5:1 to 10:1 for 20 examples), favoring the cis-isomer, and good to excellent enantioselectivity (70-91% ee for 13 examples).

  20. Designer ligands. Part 14. Novel Mn(lI), Ni(II) and Zn(II) complexes of benzamide- and biphenyl-derived ligands

    CSIR Research Space (South Africa)

    Wellington, Kevin W

    2009-01-01

    Full Text Available Manganese (II), nickel (II) and zinc (II) complexes have been prepared using various benzamideand biphenyl-derived ligands; their structures have been investigated using infrared spectroscopy and it is apparent that, depending on the ligand...

  1. Cu(II) and Ni(II) 4-cyanobenzoate complexes with nicotinamide: Synthesis, spectral, structural and optical characterization and thermal behavior

    Science.gov (United States)

    Özbek, Füreya Elif; Sertçelik, Mustafa; Yüksek, Mustafa; Necefoğlu, Hacali; Çelik, Raziye Çatak; Nayir, Gamze Yılmaz; Hökelek, Tuncer

    2017-12-01

    Two new copper(II) and nickel(II) complexes [M(NCsbnd C6H4COO)2(C6H6N2O)2(H2O)2] (where M:Cu and Ni) have been synthesized and characterized by elemental analysis, FT-IR and UV-Vis spectroscopy, spectroscopic ellipsometer (SE), X-ray crystallography, thermal analysis and molar conductivity. X-ray measurements showed that both of the complexes crystallized in triclinic system with the space group P-1. The isostructure complexes have distorted octahedral geometry around the metal atom center. In both of the crystal structures, the metal atoms are coordinated by two nitrogen atoms from two different nicotinamide ligands, two carboxyl oxygen atoms from two different 4-cyanobenzoate anions and two oxygen atoms from two different water molecules. From the linear absorption spectra and spectroscopic ellipsometer measurements, it was observed that these complexes showed different optical behaviors.

  2. New Cu (II), Co(II) and Ni(II) complexes of chalcone derivatives: Synthesis, X-ray crystal structure, electrochemical properties and DFT computational studies

    Science.gov (United States)

    Tabti, Salima; Djedouani, Amel; Aggoun, Djouhra; Warad, Ismail; Rahmouni, Samra; Romdhane, Samir; Fouzi, Hosni

    2018-03-01

    The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L)2(NH3), Cu(L)2(DMF)2 and Co(L)2(H2O). The crystal structure of the Cu(L)2(DMF)2 complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH3CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis.

  3. Synthesis and Characterization of 2-(Hydroxyimino-1-(phenylpropylidenethiocarbonohydrazide and its Metal Complexes with Co(II, Ni(II and Cu(II Ions

    Directory of Open Access Journals (Sweden)

    A. Venkatchallam

    2009-01-01

    Full Text Available Synthesis and characterization of 2-(hydroxyimino-1-(phenyl propylidene thiocarbonohydrazide (called ‘HPTCHOPD’ was studied. The synthesized compound having the molecular formula C10H13N5OS, where in isonitrosopropiophenone is reacted with thiocarbonohydrazide in presence of sodium acetate in ethanol-water mixture. The yield which is comprises effecting the reaction in the presence of sodium acetate. Also the present work report a process for producing metal complexes having the formula ML2 and (ML2 Cl, wherein M is the divalent metal cation, like cobalt (Co+2, nickel (Ni+2 and copper (Cu+2. The compound HPTCHOPD is admixed with a basic divalent compound that is halide, mainly chloride of Co+2, Ni+2 and Cu+2 in presence of methanol-water mixture. The metal complexes so produced are characterized on the basis of spectral, elemental and magnetic analysis; reveal interesting geometries and bonding features. The data suggested square planar geometry for Co+2 complex, a distorted tetrahedral/square planar-octahedral geometry for Ni+2 complex and a bridged structure for Cu+2 complex.

  4. Synthesis, Characterization and Thermal Studies of Co(II), Ni(II), Cu ...

    African Journals Online (AJOL)

    NICO

    2010-06-15

    Jun 15, 2010 ... Ni(II) and Zn(II). TG curves indicated that the complexes decompose in three to four steps. The presence of coordinated water in metal complexes was confirmed by thermal and IR data of the complexes. KEY WORDS. Synthesis, Schiff bases, 1,2,4-triazine, thermal study. 1. Introduction. Triazine chemistry ...

  5. Design, spectral characterization, thermal, DFT studies and anticancer cell line activities of Co(II), Ni(II) and Cu(II) complexes of Schiff bases derived from 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

    Science.gov (United States)

    Tyagi, Prateek; Chandra, Sulekh; Saraswat, B. S.; Yadav, Deepak

    2015-06-01

    A series of two biologically active Schiff base ligands L1, L2 have been synthesized in equimolar reaction of 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol with thiophene-2-carbaldehyde and furan-2-carbaldehyde. The synthesized Schiff bases were used for complexation with different metal ions like Co(II), Ni(II) and Cu(II) by using a molar ratio of ligand: metal as 1:1 and 2:1. The characterization of Schiff bases and metal complexes was done by 1H NMR, UV-Vis, TGA, IR, mass spectrometry and molar conductivity studies. The in DFT studies the geometries of Schiff bases and metal complexes were fully optimized with respect to the energy using the 6-31+g(d,p) basis set. On the basis of the spectral studies an octahedral geometry has been assigned for Co(II), Ni(II) and Cu(II) complexes. The effect of these complexes on proliferation of human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma cell line (Hep-G2) were studied and compared with those of free ligand. The anticancer cell line results reveal that all metal complexes show moderate to significant % cytotoxicity on cell line HepG2 and MCF-7.

  6. Assignment of solid-state 13C and 1H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations

    DEFF Research Database (Denmark)

    Rouf, Syed Awais; Jakobsen, Vibe Boel; Mareš, Jiří

    2017-01-01

    Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin of the par......Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin...

  7. Zn(II), Ni(II), Cu(II) and Pb(II) complexes of tridentate asymmetrical Schiff base ligands: Synthesis, characterization, properties and biological activity

    Science.gov (United States)

    Şahin, Mustafa; Koçak, Nuriye; Erdenay, Damla; Arslan, Uğur

    2013-02-01

    New asymmetrical tridentate Schiff base ligands were synthesized using 1,2-phenylenediamine, 4-methyl-1,2-phenylenediamine, 2-hydroxy-1-napthaldehyde, 9-anthracenecarboxaldehyde. Schiff base ligands and their metal complexes were synthesised and characterized by using FT-IR, 1H NMR, 13C NMR, UV-Vis, XRD, ESR, elemental analysis and fluorescence studies. The antimicrobial activity of the ligands and their metal complexes were studied against Staphylococcus aureus ATCC 29213, S. aureus ATCC 25923, Streptococcus mutans RSHM 676, Enterococcus faecalis ATCC 29212, Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853. The determination of the antibacterial activity was done using the broth microdilution methods. In general, it has been determined that the studied compounds have MIC values similar to Gram-positive and Gram-negative bacteria. It has been found that Ni, Pb, Zn derivatives of HL1A and ZnL2A has lower MIC values than ampicillin for P. aeruginosa ATCC 27853 strain.

  8. Synthesis, Spectral, Magnetic and Thermal Studies of the Complexes of CoII and NiII With Some Bidentate and Tridentate Hydrazone Ligands

    Directory of Open Access Journals (Sweden)

    Chetan K. Modi

    2005-01-01

    Full Text Available The reaction of Co(NO32.6H2O and Ni(NO32.6H2O with hydrazones derived from 1-phenyl-3-methyl-4-acyl-5-pyrazolone (where acyl = acetyl, propionyl, butyryl and benzoyl with 2-picolinic acid hydrazide have been studied and characterized on the basis of elemental analysis, magnetic moments, molar conductivity measurements, IR and electronic spectral studies and thermogravimetric analysis. Various ligand field parameters have been calculated. Electronic spectral data and the magnetic moment values suggest an octahedral structure for all cobalt(II and nickel(II complexes.

  9. Structure of the Ni(II) complex of Escherichia coli peptide deformylase and suggestions on deformylase activities depending on different metal(II) centres.

    Science.gov (United States)

    Yen, Ngo Thi Hai; Bogdanović, Xenia; Palm, Gottfried J; Kühl, Olaf; Hinrichs, Winfried

    2010-02-01

    Crystal structures of polypeptide deformylase (PDF) of Escherichia coli with nickel(II) replacing the native iron(II) have been solved with chloride and formate as metal ligands. The chloro complex is a model for the correct protonation state of the hydrolytic hydroxo ligand and the protonated status of the Glu133 side chain as part of the hydrolytic mechanism. The ambiguity that recently some PDFs have been identified with Zn(2+) ion as the active-site centre whereas others are only active with Fe(2+) (or Co(2+), Ni(2+) is discussed with respect to Lewis acid criteria of the metal ion and substrate activation by the CD loop.

  10. Synthesis, NMR characterization, X-ray crystal structure of Co(II) Ni(II) and Cu(II) complexes of a pyridine containing self-assembling

    International Nuclear Information System (INIS)

    Ranjbar, M.; Taghavipour, M.; Moghimi, A.; Aghabozorg, H.

    2002-01-01

    In the recent years, the self-assembling systems have been attracted chemists. The intermolecular bond in such systems mainly consists of ion pairing and hydrogen bonding [1,2]. The reaction between self-assembling system liquid LH 2 (py dc=2,6-pyridinedicarboxylic acid and py da=2,6- pyridine diamin) with cobalt (II) nitrate, nickel (II) chloride, and copper (II) acetate in water leads to the formation of self- assemble coordination complexes, [py da.H] 2 [M(py dc) 2 ]. H 2 O, M=Co(II),Ni(II), and Cu(II). The characterization was performed using elemental analysis, ESI mass spectroscopy, 1 H and 13 C NMR and X-ray crystallography. The crystal systems are monoclinic with space group P2 1 /n and four molecules per unit cell. These complexes shows 13 C NMR resonances of cationic counter ion [(py dc,H)] + in DMSO- d 6 but no signal corresponding to the two coordinated ligands [py dc] 2- The metal atoms are six-coordinated with a distorted octahedral geometry. The two [py de] 2- units are almost perpendicular to each other

  11. New discrete and polymeric supramolecular architectures derived from dinuclear Co(II), Ni(II) and Cu(II) complexes of aryl-linked bis-beta-diketonato ligands and nitrogen bases: synthetic, structural and high pressure studies.

    Science.gov (United States)

    Clegg, Jack K; Hayter, Michael J; Jolliffe, Katrina A; Lindoy, Leonard F; McMurtrie, John C; Meehan, George V; Neville, Suzanne M; Parsons, Simon; Tasker, Peter A; Turner, Peter; White, Fraser J

    2010-03-21

    New examples of nitrogen base adducts of dinuclear Co(II), Ni(II) and Cu(II) complexes of the doubly deprotonated forms of 1,3-aryl linked bis-beta-diketones of type [RC(=O)CH(2)C(=O)C(6)H(4)C(=O)CH(2)C(=O)R] (L(1)H(2)) incorporating the mono- and difunctional amine bases pyridine (Py), 4-ethylpyridine (EtPy), piperidine (pipi), 1,4-piperazine (pip), N-methylmorpholine (mmorph), 1,4-dimethylpiperazine (dmpip) and N,N,N',N'-tetramethylethylenediamine (tmen) have been synthesised by reaction of the previously reported [Cu(2)(L(1))(2)].2.5THF (R = Me), [Cu(2)(L(1))(2)(THF)(2)] (R = t-Bu), [Ni(2)(L(1))(2)(Py)(4)] (R = t-Bu) and [Co(2)(L(1))(2)(Py)(4)] (R = t-Bu) complexes with individual bases of the above type. Comparative X-ray structural studies involving all ten base adduct derivatives have been obtained and reveal a range of interesting discrete and polymeric molecular architectures. The respective products have the following stoichiometries: [Cu(2)(L(1))(2)(Py)(2)].Py (R = Me), [Cu(2)(L(1))(2)(EtPy)(2)].2EtPy (R = t-Bu), [Cu(2)(L(1))(2)(pipi)(2)].2pipi (R = t-Bu), [Cu(2)(L(1))(2)(mmorph)(2)] (R = t-Bu), [Cu(2)(L(1))(2)(tmen)(2)] (R = t-Bu) and {[Cu(2)(L(1))(2)(pip)].pip.2THF}(n), [Co(2)(L(1))(2)(tmen)(2)] (R = t-Bu), [Ni(2)(L(1))(2)(Py)(4)].dmpip (R = t-Bu), [Ni(2)(L(1))(2)(pipi)(4)].pipi (R = t-Bu) and [Ni(2)(L(1))(2)(tmen)(2)] (R = t-Bu). The effect of pressure on the X-ray structure of [Cu(2)(L(1))(2)(mmorph)(2)] has been investigated. An increase in pressure from ambient to 9.1 kbar resulted in modest changes to the unit cell parameters as well as a corresponding decrease of 6.7 percent in the unit cell volume. While a small 'shearing' motion occurs between adjacent molecular units throughout the lattice, no existing bonds are broken or new bonds formed.

  12. Simultaneous removal of Cd(II), Ni(II), Pb(II) and Cu(II) ions via their complexation with HBANSA based on a combined ultrasound-assisted and cloud point adsorption method using CSG-BiPO4/FePO4as novel adsorbent: FAAS detection and optimization process.

    Science.gov (United States)

    Kheirandish, Shadi; Ghaedi, Mehrorang; Dashtian, Kheibar; Jannesar, Ramin; Montazerozohori, Morteza; Pourebrahim, Faezeh; Zare, Mohammad Ali

    2017-08-15

    Ultrasound irradiation, cloud point and adsorption methods were coupled to develop a new technique for the simultaneous removal of Cd(II), Ni(II), Pb(II) and Cu(II) ions after their complexation with (E)-4-((2-hydroxybenzylidene) amino) naphthalene-1-sulfonic acid (HBANSA). In order to reduce cost and improve practicability of process, chitosan gel (CSG) composited with bismuth(III) phosphate/iron(III) phosphate nanoparticles (CSG-BiPO 4 /FePO 4 ) were hydrothermally synthesized followed by their characterization using FE-SEM, EDS and XRD analysis. The operational parameters such as metal ions concentration, CSG-BiPO 4 /FePO 4 mass, sonication time and temperature were investigated and optimized using central composite design (CCD). In addition, the possible significant correlation between these variables and removal efficiency was studied from which the maximum efficiencies were obtained at 5.57mg/L, 51.49°C, 0.018g and 10.73min corresponding to metal ions concentration, temperature, CSG-BiPO 4 /FePO 4 and sonication time, respectively. Moreover, at these conditions, the removal percentages of the Cd(II), Ni(II), Pb(II) and Cu(II) ions were found to be 96.24, 93.73, 95.55 and 97.47, respectively. After applying various isotherms, the Langmuir isotherm model was found to be most appropriate model for describing and fitting the experimental equilibrium data and thus maximum mono-layer adsorption capacities of 8.61, 8.54, 8.65 and 8.62mgg -1 were obtained for Cd(II), Pb(II), Cu(II) and Ni(II) ions, respectively. The study of kinetics showed well applicability of pseudo second order kinetic model with maximum mass transfer rate in adsorption process. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Ni(II) complexes of dithiophosphonic acids

    Indian Academy of Sciences (India)

    bacterial properties. ∗. For correspondence. Three novel dithiophosphinates with the formula HS2P. (p-C6H4OMe)(OCH2CH(CH3)2) (I), [S2P(C6H11NH)(p-. C6H4OMe)H3N. +. C6H11] (II) and [S2P(phCH2CH2NH). (p-C6H4OMe)H3N. +.

  14. Ni(II) complexes of dithiophosphonic acids

    Indian Academy of Sciences (India)

    scheme 1) are among well-known bidentate ligands and have been widely investigated.5–10. The above mentioned biological and synthetic sig- nificance of dithiophosphonates derivatives prompted us to synthesize some dithiophosphonic acid lig-.

  15. Ni(II immobilization by bio-apatite materials: Appraisal of chemical, thermal and combined treatments

    Directory of Open Access Journals (Sweden)

    Šljivić-Ivanović Marija

    2016-01-01

    Full Text Available Animal bones are natural and rich source of calcium hydroxyapatite (HAP, which was found to be a good sorbent material for heavy metals and radionuclides. Various treatments can reduce the content of bone organic phase and improve sorption properties. In this study, sorption capacities of raw bovine bones (B and samples obtained by chemical treatment with NaOH (BNaOH, by heating at 400 oC (B400 and by combined chemical and thermal treatment (BNaOH+400, were compared, using Ni(II ions as sorbates. Maximum sorption capacities increased in the order BNi(II sorption was found to be complex, with participation of both HAP and organic phase (when present. Sequential extraction analysis was applied for testing the stability of Ni(II ions sorbed by BNaOH+400. Majority of Ni(II was found in residual phase (65% at lower level of sorbent loading, while with the increase of sorbent saturation carbonate fraction became dominant (39 %. According to the results, BNaOH+400 can be utilized in water purification systems. As an apatite based material with low organic content and high efficiency for Ni(II sorption, it is also a good candidate for in-situ soil remediation, particularly at lower contamination levels. [Projekat Ministarstva nauke Republike Srbije, br. III 43009

  16. DNA binding and cleavage activity of a structurally characterized Ni(II)

    Indian Academy of Sciences (India)

    1375–1381. c Indian Academy of Sciences. DOI 10.1007/s12039-015-0900-4. DNA binding and cleavage activity of a structurally characterized Ni(II). Schiff base complex. SARAT CHANDRA KUMARa, ABHIJIT PALa, MERRY MITRAa,. V M MANIKANDAMATHAVANb, CHIA -HER LINc, BALACHANDRAN UNNI NAIRb,∗.

  17. Synthesis, spectral and quantum chemical studies and use of (E)-3-[(3,5-bis(trifluoromethyl)phenylimino)methyl]benzene-1,2-diol and its Ni(II) and Cu(II) complexes as an anion sensor, DNA binding, DNA cleavage, anti-microbial, anti-mutagenic and anti-cancer agent

    Science.gov (United States)

    Ünver, Hüseyin; Boyacıoğlu, Bahadır; Zeyrek, Celal Tuğrul; Yıldız, Mustafa; Demir, Neslihan; Yıldırım, Nuray; Karaosmanoğlu, Oğuzhan; Sivas, Hülya; Elmalı, Ayhan

    2016-12-01

    We report the synthesis of a novel Schiff base (E)-3-[(3,5-bis(trifluoromethyl) phenylimino)methyl] benzene-1,2-diol from the reaction of 2,3-dihydroxybenzaldehyde with 3,5-bis(trifluoromethyl)aniline, and its Ni(II) and Cu(II) complexes. The molecular structure of the Schiff base was experimentally determined using X-ray single-crystal data and was compared to the structure predicted by theoretical calculations using density functional theory (DFT), Hartree-Fock (HF) and Möller-Plesset second-order perturbation (MP2). In addition, nonlinear optical (NLO) effects of the compound was predicted using DFT. The antimicrobial activities of the compounds were investigated for their minimum inhibitory concentration. UV-Vis spectroscopy studies of the interactions between the compounds and calf thymus DNA (CT-DNA) showed that the compounds interacts with CT-DNA via intercalative binding. A DNA cleavage study showed that the Cu(II) complex cleaved DNA without any external agents. The compounds inhibited the base pair mutation in the absence of S9 with high inhibition rate. In addition, in vitro cytotoxicity of the Ni(II) complex towards HepG2 cell line was assayed by the MTT method. Also, the colorimetric response of the Schiff base in DMSO to the addition of equivalent amount of anions (F-, Br-, I-, CN-, SCN-, ClO4-, HSO4-, AcO-, H2PO4-, N3- and OH-) was investigated. In this regard, while the addition of F-, CN-, AcO- and OH- anions into the solution containing Schiff base resulted in a significant color change, the addition of Br-, I-, SCN-, ClO4-, HSO4-, H2PO4- and N3- anions resulted in no color change. The most discernable color change in the Schiff base was caused by CN-, which demonstrated that the ligand can be used to selectively detect CN-.

  18. Self-assembly of mixed-valence Co(II/III) and Ni(II) clusters: azide-bridged 1D single chain coordination polymers comprised of tetranuclear units, tetranuclear Co(II/III) complexes, ferromagnetically coupled azide-bridged tetranuclear, and hexanuclear Ni(II) complexes: synthesis, structural, and magnetic properties.

    Science.gov (United States)

    Tandon, Santokh S; Bunge, Scott D; Rakosi, Robert; Xu, Zhiqiang; Thompson, Laurence K

    2009-09-07

    One-pot reactions between 2,6-diformyl-4-methylphenol (DFMP) and 2-aminoethanol (AE) in the presence of cobalt(II) salts [Co(ClO4)2, CoCl2, Co(CH3CO2)2, Co(NO3)2] and sodium azide result in the self-assembly of novel one-dimensional single chain mixed-valence cobalt coordination polymers {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]ClO(4).5H2O.CH3OH}n (1), {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]Cl.H2O}n (2) in which tetra-cobalt cationic units are bridged by symmetrical 1,3-azides, forming single chains; mixed valence neutral tetranuclear clusters [Co2(II)Co2(III) (HL)2(OCH3)2(N3)4]CH3OH.2H2O (3), [Co2(II)Co2(III)(HL)2(OCH3)2(N3)2(CH3CO2)2].2CH3OH.2H2O (4), and the cationic cluster [Co2(II) Co2(III) (HL)2(OCH3)2(CH3OH)2(N3)2](NO3)2 (5). In all these reactions, H3L, the potentially pentadentate (N2O3), trianionic double Schiff base ligand 2,6-bis[(2-hydroxy-ethylimino)-methyl]-4-methylphenol is formed. The reaction between DFMP and AE in the presence of nickel(ii) salts and sodium azide in methanol-water mixture results in the self-assembly of ferromagnetically coupled hexanuclear complexes [Ni6(H2L)2(HL-1)2(H2O)2(N3)6](ClO4)(2).2CH3OH (6), and [Ni6(H2L)2(HL-1)2(CH3OH)2(N3)6](BF4)2 (7), involving double (H3L) and single (H2L-1) Schiff base ligands, and a neutral tetranuclear complex [Ni4(H2L)2(OCH3)2(CH3CO2)2(N3)2] (8) with only double Schiff-base (H3L). In these complexes, the nature of the anion and the reaction conditions seem to play an important role in directing the formation of tetranuclear, hexanuclear or polymeric clusters. All complexes involve divacant double cubane-type cores containing three to four different types of bridging ligands (phenoxy, azido, methoxy/alkoxy, and acetate). Variable temperature magnetic properties of these spin coupled clusters have been investigated and magneto-structural correlations have been established.

  19. Extractive separation of Al(III) and Ni(II) by Di-2-Ethylhexyl phosphoric acid-kerosene system from aqueous fluoride medium

    International Nuclear Information System (INIS)

    Islam, M.F.; Begum, D.A.; Rahman, M.; Rahman, M.S.

    2009-01-01

    In the study of the extractive separation of Al(III) and Ni(II) by di-2-ethylhexyl phosphoric acid D2EHPA-kerosene from aqueous fluoride medium, about 94% Al(III) and 2% Ni(II) were extracted with 0.3 M D2EHPA (pH 2.1 and temperature 30+-1 degree C). Extraction of Ni(II) decreased with increasing extractant concentration. D2EHPA-kerosene-fluoride system showed better extraction of Al(III) with higher extractant concentration and aqueous pH and vice versa for the extraction of Ni(II). The maximum separation factor (beta 1380) was obtained for Al(III) at 20 degree C and decreased to (beta 732) at 60 degree C. The separation of Al(III) from Ni(II) was favoured at normal temperature. Extraction followed the order Al(III), Ni(II). About 99% stripping of Al(III) was attained from the loaded 0.20 M D2EHPA. Much faster extraction of Al(III) compared to Ni(II) and preferential loading were shown by D2EHPA-kerosene in the presence of fluoride ion in the aqueous phase. Separation of Al(III) was the most outstanding from Ni-Al-F-complex solution. (author)

  20. Azadirachta indica leaf powder as a biosorbent for Ni(II) in aqueous medium

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharyya, Krishna G., E-mail: krishna2604@sify.com [Department of Chemistry, Gauhati University, Guwahati 781014, Assam (India); Sarma, Jyotirekha [Department of Chemistry, Gauhati University, Guwahati 781014, Assam (India); Sarma, Arunima [Department of Chemistry, Morigaon College, Morigaon 782105, Assam (India)

    2009-06-15

    Azadirachta indica leaves are converted to a fine powder for use as a biosorbent for the removal of metal ions in aqueous solution. In this work, the adsorptive interactions between Ni(II) and the powder were studied under a variety of conditions involving variations in pH, Ni(II) concentration, biosorbent amount, interaction time and temperature, all in single batch processes. The experimental data have been interpreted on the basis of existing mathematical models of equilibrium kinetics and thermodynamics. The biosorption of Ni(II) increased in the pH range of 2.0-5.0 with {approx}92.6% adsorption at pH 5.0 for the highest amount of the biosorbent (4 g/L). The biosorption followed second-order kinetics and intra-particle diffusion was likely to have significant influence in controlling the process. The Langmuir monolayer adsorption capacity varied from 2.4 to 9.1 mg/g and the equilibrium coefficient from 1.09 to 2.78 L/g with strong indication that the Ni(II) ions were held on the biosorbent surface by formation of an adsorption complex. The thermodynamic parameters showed the process to be exothermic in nature supported by appropriate ranges of values of enthalpy change, entropy change and Gibbs energy change.

  1. Ternary complexes metal [Co(II), Ni(II), Cu(II) and Zn(II)]--ortho-iodohippurate (I-hip)--acyclovir. X-ray characterization of isostructural [(Co, Ni or Zn)(I-hip)(2)(ACV)(H(2)O)(3)] with stacking as a recognition factor.

    Science.gov (United States)

    Barceló-Oliver, M; Terrón, A; García-Raso, A; Fiol, J J; Molins, E; Miravitlles, C

    2004-11-01

    Four ternary metal--ortho-iodohippurate (I-hip)--acyclovir (ACV) complexes, [M(I-hip)(2)(ACV)(H(2)O)(3)] where M is Co(II) (1), Ni(II) (2), Cu (3) and Zn(II) have been obtained by reaction between the corresponding binary complexes M(II)(I-hip)(2)xnH(2)O and ACV. Three ternary complexes (M=Co, Ni and Zn) and the corresponding Zn(II)--ortho-iodohippurate binary derivative have been structurally characterized by X-ray diffraction: The studies show these three ternary complexes are isostructural and present, in solid state, an interesting stacking between the nucleobase and the aryl ring of the hippurate moiety, which probably promotes the formation of ternary complexes. Moreover, the two different ligands interact between them by means of ancillary hydrogen bonds with water molecules coordinated to the metal ion. It must be mentioned that these two recognition factors, hydrogen bonds plus stacking, could explain the reason for the isostructurality of these ternary derivatives with so different three metal ions, with diverses trends in coordination numbers and geometries. In solid state, there are two enantiomeric molecules that are related by an inversion center as the crystal-building unit (as a translational motif) for the ternary complexes.

  2. Structural, thermal, biological and semiconducting properties of Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and VO(IV) complexes of Schiff base derived from resdiacetophenone and S-benzyldithiocarbazate

    International Nuclear Information System (INIS)

    Makode, J.T.; Bhadange, S.G.; Aswar, A.S.

    2003-01-01

    A series of Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and VO(IV) complexes with Schiff base derived from resdiacetophenone and S-benzyldithiocarbazate have been synthesized and characterized by elemental analysis, magnetic moment, IR and electronic spectral studies and thermal analysis. The Schiff base functions as a binucleating tridentate chelating agent and coordinates via the deprotonated phenolic oxygen, azomethine nitrogen and thioenolate sulphur atoms to the metal ion favouring the formation of bimetallic complexes. From dynamic TG data, activation energy and other kinetic parameters have been computed using Freeman-Carroll-Wentworth and Coats-Redfern methods. Electrical conductivity of the complexes have also been studied between 313-473 in pellet forms and the complexes are found to exhibit semiconducting behaviour. The antimicrobial activity of the ligand and its complexes have been screened against various microorganisms and all of them found to be moderately active against the organisms. (author)

  3. Synthesis and characterization of a new nonanuclear Ni(II) cluster from a pyridyl-alcohol ligand.

    Science.gov (United States)

    Massard, Alexandre; Rogez, Guillaume; Braunstein, Pierre

    2014-01-07

    The reaction of one equivalent of 2-methyl-1-(pyridin-2-yl)propan-2-ol (HL) with two equivalents of [Ni(OAc)2·4H2O] in methanol afforded the nonanuclear coordination cluster [Ni9(HL-κ(2)N,O)4(OAc-κ(2)O)2(μ2-OAc-κ(1)O)2(μ2-OAc-κ(2)O,O')4(μ3-OAc-κ(2)O;κ(2)O,O')2(μ3-OMe)8] (1). All nickel ions are hexacoordinated and show a slightly distorted octahedral coordination geometry. This unusual centrosymmetric coordination cluster can be described as constituted by two cubane moieties connected by a linker comprising a nickel atom, situated on the inversion centre, four bridging acetates and two triply-bridging acetates. Each cubane contains four Ni(II) centres and four triply-bridging methoxide anions, two of the Ni(II) centres are N,O-chelated by the ligand HL, another Ni(II) is chelated by an acetate ligand and the fourth Ni(II) centre is connected to the exo-cubane Ni(II) through three acetate ligands which each have a different bonding mode: μ2-κ(2)O,O', μ2-κ(1)O, and μ3-κ(1)O;κ(2)O,O'. The magnetic and catalytic properties for ethylene oligomerization of the unusual complex have been investigated.

  4. REMOVAL OF Ni(II) FROM AQUEOUS SOLUTION USING LEAF ...

    African Journals Online (AJOL)

    Preferred Customer

    ABSTRACT. The present study investigates the possibility of using leaf, bark and seed of Moringa stenopetala as alternative adsorbents for removal of Ni(II) from aqueous solutions. The optimum adsorption conditions for removal of Ni(II) were found to be 30, 20 and 50 mg/L initial concentration, 1.5, 2 and 2.5 g adsorbent ...

  5. Sorption of Ni(II) on GMZ bentonite: effects of pH, ionic strength, foreign ions, humic acid and temperature.

    Science.gov (United States)

    Yang, Shitong; Li, Jiaxing; Lu, Yi; Chen, Yixue; Wang, Xiangke

    2009-09-01

    Bentonite has been widely studied in nuclear waste management because of its special physicochemical properties. In this work, the sorption of Ni(II) from aqueous solution onto GMZ bentonite as a function of contact time, pH, ionic strength, foreign ions, humic acid (HA) and temperature was investigated under ambient conditions. The results indicated that the pseudo-second-order rate equation simulated the kinetic sorption process well. The sorption of Ni(II) on GMZ bentonite was strongly dependent on pH and on ionic strength. At low pH, the sorption of Ni(II) was dominated by outer-sphere surface complexation and ion exchange with Na(+)/H(+) on GMZ bentonite surfaces, whereas inner-sphere surface complexation was the main sorption mechanism at high pH. A positive effect of HA on Ni(II) sorption was found at pH8. The Langmuir, Freundlich, and D-R models were used to simulate the sorption isotherms of Ni(II) at three different temperatures: 303.15, 318.15 and 333.15K. The thermodynamic parameters (DeltaH(0), DeltaS(0) and DeltaG(0)) of Ni(II) sorption on GMZ bentonite at the three different temperatures were calculated from the temperature-dependent sorption isotherms. The results indicated that the sorption process of Ni(II) on GMZ bentonite was endothermic and spontaneous. Experimental results indicate that GMZ bentonite is a suitable sorbent for pre-concentration and solidification of Ni(II) from large volume solutions.

  6. Sorption of Ni(II) on GMZ bentonite: Effects of pH, ionic strength, foreign ions, humic acid and temperature

    International Nuclear Information System (INIS)

    Yang Shitong; Li Jiaxing; Lu Yi; Chen Yixue; Wang Xiangke

    2009-01-01

    Bentonite has been widely studied in nuclear waste management because of its special physicochemical properties. In this work, the sorption of Ni(II) from aqueous solution onto GMZ bentonite as a function of contact time, pH, ionic strength, foreign ions, humic acid (HA) and temperature was investigated under ambient conditions. The results indicated that the pseudo-second-order rate equation simulated the kinetic sorption process well. The sorption of Ni(II) on GMZ bentonite was strongly dependent on pH and on ionic strength. At low pH, the sorption of Ni(II) was dominated by outer-sphere surface complexation and ion exchange with Na + /H + on GMZ bentonite surfaces, whereas inner-sphere surface complexation was the main sorption mechanism at high pH. A positive effect of HA on Ni(II) sorption was found at pH 8. The Langmuir, Freundlich, and D-R models were used to simulate the sorption isotherms of Ni(II) at three different temperatures: 303.15, 318.15 and 333.15 K. The thermodynamic parameters (ΔH 0 , ΔS 0 and ΔG 0 ) of Ni(II) sorption on GMZ bentonite at the three different temperatures were calculated from the temperature-dependent sorption isotherms. The results indicated that the sorption process of Ni(II) on GMZ bentonite was endothermic and spontaneous. Experimental results indicate that GMZ bentonite is a suitable sorbent for pre-concentration and solidification of Ni(II) from large volume solutions.

  7. Protein immobilization on Ni(II) ion patterns prepared by microcontact printing and dip-pen nanolithography

    NARCIS (Netherlands)

    Wu, Chien-Ching; Reinhoudt, David N; Otto, Cees; Velders, Aldrik H; Subramaniam, Vinod

    2010-01-01

    An indirect method of protein patterning by using Ni(II) ion templates for immobilization via a specific metal-protein interaction is described. A nitrilotriacetic acid (NTA)-terminated self-assembled monolayer (SAM) allows oriented binding of histidine-tagged proteins via complexation with late

  8. Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II ...

    Indian Academy of Sciences (India)

    Unknown

    Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II) Schiff base complexes derived from o-phenylenediamine and acetoacetanilide. N RAMAN*, Y PITCHAIKANI RAJA and A KULANDAISAMY. Department of Chemistry, VHNSN College, Virudhunagar 626 001, India e-mail: ra_man@123india.com.

  9. Substitutional impact on biological activity of new water soluble Ni(II) complexes: Preparation, spectral characterization, X-ray crystallography, DNA/protein binding, antibacterial activity and in vitro cytotoxicity.

    Science.gov (United States)

    Umadevi, C; Kalaivani, P; Puschmann, H; Murugan, S; Mohan, P S; Prabhakaran, R

    2017-02-01

    A series of new water soluble nickel(II) complexes containing triphenylphosphine and 4-methoxysalicylaldehyde-4(N)-substituted thiosemicarbazones were synthesized and characterized. Crystallographic investigations confirmed the structure of the complexes (1-4) having the general structure [Ni(4-Msal-Rtsc)(PPh 3 )] (Where R=H (1); CH 3 (2); C 2 H 5 (3); C 6 H 5 (4)) which showed that thiosemicarbazone ligands coordinated to nickel(II) ion as ONS tridentate bibasic donor. DNA/BSA protein binding ability of the ligands and their new complexes were studied by taking calf-thymus DNA (CT-DNA) and Bovine serum albumin (BSA) through absorption and emission titrations. Ethidium bromide (EB) displacement study showed the intercalative binding trend of the complexes to DNA. From the albumin binding studies, the mechanism of quenching was found as static and the alterations in the secondary structure of BSA by the compounds were confirmed with synchronous spectral studies. The binding affinity of the complexes to CT-DNA and BSA has the order of [Ni(4-Msal-etsc)(PPh 3 )] (3) >[Ni(4-Msal-mtsc)(PPh 3 )] (2) >[Ni(4-Msal-tsc)(PPh 3 )] (1) >[Ni(4-Msal-ptsc)(PPh 3 )] (4). In vitro cytotoxicity of the complexes was tested on human lung cancer cells (A549), human cervical cancer cells (HeLa), human liver carcinoma cells (Hep G2). All the complexes exhibited significant activity against three cancer cells. Among them, complex 4 exhibited almost 2.5 fold activity than cisplatin in A549 and HepG2 cell lines. In HeLa cell line, the complexes exhibited significant activity which is less than cisplatin. While comparing the activity of the complexes in A549 and HepG2 cell lines it falls in the order 4>1>2>3>cisplatin. The results obtained from DNA, protein binding and cytotoxicity studies, it is concluded that the cytotoxicity of the complexes as determined by MTT assay were not unduly influenced by the complexes having different binding efficiency with DNA and protein. The complexes

  10. New nano-complexes of Zn(II), Cu(II), Ni(II) and Co(II) ions; spectroscopy, thermal, structural analysis, DFT calculations and antimicrobial activity application

    Science.gov (United States)

    El-Shafiy, Hoda F.; Saif, M.; Mashaly, Mahmoud M.; Halim, Shimaa Abdel; Eid, Mohamed F.; Nabeel, A. I.; Fouad, R.

    2017-11-01

    This work presents synthesis, characterization, and application of several metal (II) complexes with (E)-2-hydroxy-N/-((thiophen-2-yl)methylene)benzohydrazide (H2L). Prepared complexes were identified by elemental, thermal, FT-IR, UV-Vis, 1H NMR, and XRD analysis, as well as molar conductivity and magnetic moment measurements. Changes in FT-IR and 1H NMR spectra of hydrazone ligand upon coordination indicated that the ligand behaves the same way as a monoanonic ligand with ONS donor sites. Kinetic parameters were determined for each thermal degradation stage of the ligand and its complexes using 'Coats-Redfern' method. All results confirm that all prepared compounds have 1:2 metal-to-ligand stoichiometry except Zn(II) complex, which has 1:1 metal-to-ligand stoichiometry. The antimicrobial activity for complexes was investigated. The antimicrobial activity results revealed that Zn(II) complex (1) has a good potency against gram positive bacteria (E. coli) and gram negative bacteria (P. vulgaris) in comparision with doxymycin standard, AT B3LYP/6-311G (d,p) level, Density Functional Theory (DFT) calculations were carried out to investigate the optimized structure of both, the ligand and the complexes. Total energy, energy of HOMO, and LUMO as well as Mullikan atomic charges were calculated. Dipole moment, orientation, and structure activity relationship were performed and discussed.DFT calculations, moreover, confirmed practical antimicrobial results.

  11. Fe (III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of schiff bases based-on glycine and phenylalanine: Synthesis, magnetic/thermal properties and antimicrobial activity

    Science.gov (United States)

    Sevgi, Fatih; Bagkesici, Ugur; Kursunlu, Ahmed Nuri; Guler, Ersin

    2018-02-01

    Zinc (II), copper (II), nickel (II), cobalt (II) and iron (III) complexes of Schiff bases (LG, LP) derived from 2-hydroxynaphthaldehyde with glycine and phenylalanine were reported and characterized by 1H NMR, 13C NMR, elemental analyses, melting point, FT-IR, magnetic susceptibility and thermal analyses (TGA). TGA data show that iron and cobalt include to the coordinated water and metal:ligand ratio is 1:2 while the complex stoichiometry for Ni (II), Cu (II) and Zn (II) complexes is 1:1. As expected, Ni (II) and Zn (II) complexes are diamagnetic; Cu (II), Co (II) and Fe (III) complexes are paramagnetic character due to a strong ligand of LG and LP. The LG, LP and their metal complexes were screened for their antimicrobial activities against five Gram-positive (Staphylococcus aureus, Methicillin resistant Staphylococcus aureus (MRSA), Bacillus cereus, Streptococcus mutans and Enterococcus faecalis) and three Gram-negative (Escherichia coli, Klebsiella pneumoniae and Pseudomonas aeruginosa) and one fungi (Candida albicans) by using broth microdilution techniques. The activity data show that ligands and their metal complexes exhibited moderate to good activity against Gram-positive bacteria and fungi.

  12. Synthesis and DNA binding studies of Ni(II), Co(II), Cu(II) and Zn(II) metal complexes of N 1,N 5-bis[pyridine-2-methylene]-thiocarbohydrazone Schiff-base ligand

    Science.gov (United States)

    Tiwari, A. D.; Mishra, A. K.; Mishra, S. B.; Mamba, B. B.; Maji, B.; Bhattacharya, S.

    2011-09-01

    The thiocarbohydrazone Schiff-base ligand with a nitrogen and sulphur donor was synthesized through condensation of pyridine-2-carbaldehyde and thiocarbohydrazide. Schiff-base ligands have the ability to conjugate with metal salts. A series of metal complexes with a general formula [MCl 2(H 2L)]· nH 2O (M dbnd Ni, Co, Cu and Zn) were synthesized by forming complexes of the N 1,N 5-bis[pyridine-2-methylene]-thiocarbohydrazone (H 2L) Schiff-base ligand. These metal complexes and ligand were characterized by using ultraviolet-visible (UV-Vis), Fourier Transform Infrared (FT-IR), 1H and 13C NMR spectroscopy and mass spectroscopy, physicochemical characterization, CHNS and conductivity. The biological activity of the synthesized ligand was investigated by using Escherichia coli DNA as target. The DNA interaction of the synthesized ligand and complexes on E. coli plasmid DNA was investigated in the aqueous medium by UV-Vis spectroscopy and the binding constant ( Kb) was calculated. The DNA binding studies showed that the metal complexes had an improved interaction due to trans-geometrical isomers of the complexes than ligand isomers in cis-positions.

  13. Coordination versatility of N2O4 polydentate hydrazonic ligand in Zn(II, Cu(II, Ni(II, Co(II, Mn(II and Pd(II complexes and antimicrobial evaluation

    Directory of Open Access Journals (Sweden)

    Fathy A. El-Saied

    2017-12-01

    Full Text Available New polydentate hydrazone ligand, was synthesized by the condensation of 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde with adipodihydrazide. The structure of the synthesized ligand, N′1,N′6-bis((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl methylene adipohydrazide was elucidated by various analytical and spectroscopic techniques. The reactions of the ligand with zinc(II, copper(II, nickel(II, cobalt(II, manganese(II and palladium(II salts afforded homobinuclear metal complexes. Characterization and structure elucidation of the prepared complexes were achieved using different analytical and spectroscopic techniques. The analyses data indicated that this ligand behaved as N2O4 dibasic hexadentate ligand bonded covalency to the metal ions through the enolic carbonyl oxygen of hydrazide moiety and coordinated via carbonyl oxygen of antipyrine moiety and azomethine nitrogen atoms forming distorted octahedral geometry around the metal ions. The ESR spectra of copper(II complexes (3 and (4 showed an axial symmetry with g||>g⊥>ge, indicating distorted octahedral structure and presence of the unpaired electron in d(x2−y2 orbital. The microbicide studies of the ligand and its metal complexes (2, (3, (4, (5, (8, (11 and (13 showed that, all these complexes exhibit moderate to mild inhibitory effects on B. subtilis, E. coli while complexes (2, (3, (4 and (13 exhibit moderate to mild inhibitory effects on A. niger. Keywords: Hexadentate, Hydrazone, Antipyrine, ESR, Adipohydrazide, Microbicide

  14. Predictive concept for lone-pair distortions - DFT and vibronic model studies of AXn-(n-3) molecules and complexes (A = NIII to BiIII; X = F-I to I-I; n = 3-6).

    Science.gov (United States)

    Atanasov, Michael; Reinen, Dirk

    2002-06-12

    The stereochemical and energetic consequences of the lone-pair effect in the title molecules and complexes have been studied by DFT calculations based on a vibronic coupling concept. The anionic complexes were examined as bare entities and, more realistically, in a polarizable charge-compensating solvent continuum. The tendency for distortions of AX3 compounds away from the high-symmetry parent geometry becomes more pronounced the larger the chemical hardness of a molecule and its constituents is; on the other hand, anionic complexes AXn-(n-3) (n = 4-6) become softer and less susceptible to distortion as compared to the corresponding AX3 molecule, the larger the coordination number and the anionic charge are. Thus, while all AX(3) compounds adopt the distorted C3v structure, only very few AX6(3-) species are calculated to deviate from the parent Oh geometry. If a complex possesses a low stabilization energy due to an unfavorable central ion/ligand size ratio, vibronic coupling may even lead to complete dissociation of one (SbF6(3-) --> SbF5(2-) + F-) or more (PF6(3-) --> PF4- + 2F-) ligands. The derived hardness rule perfectly covers the reported structural findings. The calculations indicate that the lone-pair effect is an orbital overlap phenomenon. The interpair repulsion within the valence shell, keeping the average bond distances constant, does not stabilize the distorted with respect to the parent geometry, in disagreement with the VSEPR model.

  15. Synthesis and Characterization of Cu(II), Co(II) and Ni(II) Complexes of Trithiocyanuric Acid: The Structure of {N,N'-Bis(3-Aminopropyl)-1,3-Propanediamine}-(Trithiocyanurato)Nickel(II)

    Czech Academy of Sciences Publication Activity Database

    Kopel, P.; Trávníček, Zdeněk; Kvítek, L.; Černošek, Z.; Wrzeszcz, G.; Marek, J.

    2003-01-01

    Roč. 56, č. 1 (2003), s. 1-11 ISSN 0095-8972 R&D Projects: GA ČR GA203/00/0152; GA AV ČR IBS5038351 Institutional research plan: CEZ:AV0Z5038910 Keywords : Copper(II) * cobalt(II) and nickel(II) complexes * Trithiocyanuric acid Subject RIV: CE - Biochemistry Impact factor: 0.841, year: 2003

  16. Syntheses, Characterization, and Antimicrobial Screening of N-(benzothiazol-2-ylbenzenesulphonamide and its Cu(I, Ni(II, Mn(II, Co(II, and Zn(II Complexes

    Directory of Open Access Journals (Sweden)

    N. L. Obasi

    2012-01-01

    Full Text Available N-(benzothiazol-2-ylbenzenesulphonamide (BS2ABT was synthesized by the condensation (by refluxing of 2-aminobenzothiazole and benzenesulphonylchloride in acetone at 140ºC. The resulting crude precipitates were recrystallized from dimethylformamide (DMF. Five metal complexes of copper(I, nickel(II, manganese(II, cobalt(II and zinc(II of the ligands were synthesized. The compounds were characterized using magnetic susceptibility measurements, UV/VIS spectrophotometry, infra red, proton and 13C nmr spectroscopies. The antimicrobial tests of the ligands and its metal complexes were carried out on both multi-resistant bacterial strains isolated under clinical conditions and cultured species using agar-well diffusion method. The multi-resistant bacterial strains used were Escherichia coli, Proteus species, Pseudomonas aeroginosa and Staphylococcus aureus which were isolated from dogs. The culture species were Pseudomonas aeruginosa (ATCC 27853, Escherichia Coli (ATCC 25922 Staphylococcus aureus (ATCC 25923, and the fungi, Candida krusei (ATCC 6258 and Candida albicans (ATCC 90028. The tests were both in vitro and in vivo. Thus the Inhibition Zone Diameter (IZD, the Minimum Inhibitory Concentration (MIC, and the Lethal and Effective Concentrations (LC50 and EC50 were determined. The antimicrobial activities of the compounds were compared with those of Ciprofloxacin and trimethoprim-sulphamethoxazole as antibacterial agents and Fluconazole as an antifungal drug. All the compounds showed varying activities against the cultured typed bacteria and fungi used. However, they were less active than the standard drugs used except Fluconazole which did not show any activity against Candida krusei (ATCC 6258 but most of the compounds synthesized were very active against it. The Lethal Concentration (LC50 ranged from 26.25±4.9-1833.88±186.92 ppm. These are within the permissible concentrations.

  17. Synthesis of Highly Branched Polyolefins Using Phenyl Substituted α-Diimine Ni(II Catalysts

    Directory of Open Access Journals (Sweden)

    Fuzhou Wang

    2016-04-01

    Full Text Available A series of α-diimine Ni(II complexes containing bulky phenyl groups, [ArN = C(NaphthC = NAr]NiBr2 (Naphth: 1,8-naphthdiyl, Ar = 2,6-Me2-4-PhC6H2 (C1; Ar = 2,4-Me2-6-PhC6H2 (C2; Ar = 2-Me-4,6-Ph2C6H2 (C3; Ar = 4-Me-2,6-Ph2C6H2 (C4; Ar = 4-Me-2-PhC6H3 (C5; Ar = 2,4,6-Ph3C6H2 (C6, were synthesized and characterized. Upon activation with either diethylaluminum chloride (Et2AlCl or modified methylaluminoxane (MMAO, all Ni(II complexes showed high activities in ethylene polymerization and produced highly branched amorphous polyethylene (up to 145 branches/1000 carbons. Interestingly, the sec-butyl branches were observed in polyethylene depending on polymerization temperature. Polymerization of 1-alkene (1-hexene, 1-octene, 1-decene and 1-hexadecene with C1-MMAO at room temperature resulted in branched polyolefins with narrow Mw/Mn values (ca. 1.2, which suggested a living polymerization. The polymerization results indicated the possibility of precise microstructure control, depending on the polymerization temperature and types of monomers.

  18. Template Synthesis, Characterization and Biological Activity of Cu(II, Ni(II, Co(II, Zn(IIComplexes with Isonicotinoylhydrazone--2-aldehydefluorene Ligand

    Directory of Open Access Journals (Sweden)

    2010-01-01

    Full Text Available This is about synthesizing new complex combinations of Cu(II, Ni(II,Co(II, Zn(II with aroylhydrazone ligand isonicotinoylhydrazone-2-aldehydefluorene (INHAF made by condensation of isonicotinoylhydrazine with 2-aldehydefluorene. The complexes have been characterized by analytical data, IR, UV-Vis, NMR spectra, magnetic susceptibility values, thermal analysis and for the Cu(II complex the ESR spectrum has been registered. For all complexes the biological activity against the Staphylo-coccus aureus, Escherichia coli, Klebssiella pneumoniae bacteria has been investigated. The experimental data sustain stoichiometry of 1:2 (metal/ligand for the Cu(II, Ni(II, Zn(II complexes and of 1:1 for the complex with Co(II. The electronic spectra and the magnetic moments suggest octahedral stereochemistry at the complexes with Cu(II, Ni(II and the tetrahedral geometry for the Co(II complex. The INHAF ligand is coordinated bidentate by the O=C amide oxygen and the azomethine nitrogen in the complexes of Cu(II, Ni(II, Co(II and monodentate by the azomethine nitrogen in the complex of Zn(II.

  19. Effective removal of Ni(II) from aqueous solutions by modification of nano particles of clinoptilolite with dimethylglyoxime.

    Science.gov (United States)

    Nezamzadeh-Ejhieh, Alireza; Kabiri-Samani, Mehdi

    2013-09-15

    In this work an Iranian natural clinoptilolite tuff was pre-treated and changed to the micro (MCP) and nano (NCP) particles by mechanical method. Modification of micro and nano particles and also their Ni-exchanged forms were done by dimethylglyoxime (DMG). The raw and modified samples were characterized by XRD, FT-IR, SEM, BET, TG-DTG and energy dispersive analysis X-ray spectroscopy (EDAX). Removal of Ni(II) by modified and unmodified samples was investigated in batch procedure. It was found that NCP-DMG has higher capacity for removal of Ni(II). The effects of analytical parameters such as pH, dose of DMG, concentration of nickel solution, contact time and selectivity were studied and the optimal operation parameters were found as follows: pHPZC: 7.6, CNi(II): 0.01 M, contact time: 360 min and DMG dosage: 5mM. The results of selectivity experiments showed that the modified zeolite has a good selectivity for nickel in the presence of different multivalent cations. Langmuir and Freundlich isotherm models were adopted to describe the adsorption isotherms. Adsorption isotherms of Ni(II) ions could be best modelled by Langmuir equation, that indicate the monolayer sorption of Ni(II). Comparison of two kinetic models indicates that the adsorption kinetic can be well described by the pseudo-second-order rate equation that indicates that the rate limiting step for the process involves chemical reaction. The negative ΔH and ΔG indicate an exothermic and spontaneously process. The negative ΔS indicates that the adsorption of nickel cations from solution occurs with lower amount ion replacement, thus chemisorptions due to complex formation are dominant process in nickel removal. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. DFT investigation of Ni(II) adsorption onto MA-DTPA/PVDF chelating membrane in the presence of coexistent cations and organic acids.

    Science.gov (United States)

    Song, Laizhou; Zhao, Xiaodan; Fu, Jie; Wang, Xiuli; Sheng, Yiping; Liu, Xiaowei

    2012-01-15

    Melamine-diethylenetriaminepentaacetic acid/polyvinylidene fluoride (MA-DTPA/PVDF) chelating membrane bearing polyaminecarboxylate groups was used to remove Ni(II) from nickel plating effluents. Adsorption experiments were conducted to study the adsorption of the membrane towards Ni(II) in Ni(II)-Ca(II), Ni(II)-NH(4)(+), Ni(II)-Fe(III) binary systems, and Ni(II)-lactic acid, Ni(II)-succinic acid and Ni(II)-citric acid complex systems. For the ternary nickel plating processes, the effects of 3d transition metals including Fe(II), Co(II), Cu(II) and Zn(II) on Ni(II) adsorption were evaluated. The influences of the aforementioned coexistent cations and organic acids were elucidated by the continuum solvation model (COSMO)-corrected density functional theory (DFT) method. Geometries and complexation energies were analyzed for metal-MA-DTPA and Ni(II)-organic acid complexes. DFT results accord with the experimental data, indicating that DFT is helpful to evaluate the complexation between the membrane and metal cations. The coexistent Ca(II) tends to form more stable complex with MA-DTPA ligand than NH(4)(+) and Fe(III), and can interfere with the formation of Ni(II)-MA-DTPA complex. The complexing sequence of 3d metals with MA-DTPA ligand is Zn(II)Ni(II). The stabilities of Ni(II)-organic acid complexes follow the order of lactic acidcomplex. Copyright © 2011 Elsevier B.V. All rights reserved.

  1. Elaborated studies for the ligitional behavior of thiouracil derivative towards Ni(II), Pd(II), Pt(IV), Cu(II) and UO2 ² ions.

    Science.gov (United States)

    Abou-Melha, Khlood Saad

    2012-11-01

    A synthesis of new thiouracil derivative was carried out and deliberately investigated. A new series of complexes was prepared using Ni(II), Pd(II), Pt(IV), Cu(II) and UO(2)(+2) ions. IR spectral data proposed the coordination mod of the ligand towards each metal ion and displays the binegative pentadentate mod as the maximum mod of coordination obtained with Ni(II) and Cu(II) complexes. (1)HNMR spectrum of UO(2)(+2) complex in comparing with the free ligand spectrum supports the binegative appearance of the coordinated ligand through the ionization of CO and CS groups. The electronic spectral data as well as the magnetic moment measurements are coincide with each others to propose the square-planar geometry with Ni(II), Pd(II) and Cu(II) complexes and octahedral geometry with the others. ESR spectrum of Cu(II) complex displays axially symmetric g tensor parameters with g(11)>g(⊥)>2.0023 indicating that the [Formula: see text] orbital as a ground state with the square-planar geometry. The TG analysis for all isolated complexes were carried out to assert about the presence of water molecules physically or chemically attached with the central atom. The biological study was carried out against different microorganisms as gram negative, gram positive and fungi. The comparable data display the relative priority of Ni(II) complex in comparing with others against all organisms but, the other complexes display activity by the same with the free ligand. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Magnetic, thermal and spectroscopic properties of 5-chloro-2-methoxybenzoates of Mn(II, Co(II, Ni(II, Cu(II and Zn(II

    Directory of Open Access Journals (Sweden)

    BEATA BOCIAN

    2002-09-01

    Full Text Available The 5-chloro-2-methoxybenzoates of Mn(II, Co(II, Ni(II, Cu(II and Zn(II were synthesized as solids and their magnetic, spectral and thermal properties studied. The complexes possess colours typical of the M(II ions. The thermal stabilities were examined in air and nitrogen atmospheres and the products of decompositions were also identified. The magnetic susceptibilities of the complexes were measured over the temperature range 4.4–300 K and the magnetic moments were calculated. The results show that the 5-chloro-2-methoxybenzoates of Mn(II, Co(II and Ni(II are octahedral, high-spin complexes.

  3. Adsorption study on orange peel: Removal of Ni(II) ions from ...

    African Journals Online (AJOL)

    orange peel was investigated to evaluate the effects of pH, initial nickel ion concentration and adsorbent dose on the removal of Ni(II) systematically. The optimal pH value for Ni(II) adsorption onto the orange peel was found to be 5.0. Greater ...

  4. Potentiometric study of atenolol as hypertension drug with Co(II, Ni(II, Cu(II and Zn(II transition metal ions in aqueous solution

    Directory of Open Access Journals (Sweden)

    Abdulbaset A. Zaid

    2015-01-01

    Full Text Available Binary and ternary complexes of Co(II, Ni(II, Cu(II and Zn(II with atenolol as hypertension drug and glycine have been determined pH metrically at room temperature and 0.01 M ionic strength (NaClO4 in aqueous solution. The formation of various possible species has been evaluated by computer program and discussed in terms of various relative stability parameters.

  5. Physicochemical properties of 3,4,5-trimethoxybenzoates of Mn(II, Co(II, Ni(II and Zn(II

    Directory of Open Access Journals (Sweden)

    W. FERENC

    2005-09-01

    Full Text Available The complexes of Mn(II, Co(II, Ni(II, Cu(II and Zn(II with 3,4,5-trimethoxybenzoic acid anion of the formula: M(C10H11O52·nH2O, where n = 6 for Ni(II, n = 1 for Mn(II, Co(II, Cu(II, and n = 0 for Zn, have been synthesized and characterized by elemental analysis, IR spectroscopy, X–ray diffraction measurements, thermogravimetry and magnetic studies. They are crystalline compounds characterized by various symmetry. They decompose in various ways when heated in air to 1273 K. At first, they dehydrate in one step and form anhydrous salts. The final products of decomposition are oxides of the respective metals (Mn2O3, Co3O4, NiO, CuO, ZnO. The solubilities of the analysed complexes in water at 293 K are in the orders of 10-2 – 10-4 mol dm-3. The magnetic susceptibilities of the Mn(II, Co(II, Ni(II and Cu(II complexes were measured over the range of 76–303 K and the magnetic moments were calculated. The results show that the 3,4,5-trimethoxybenzoates of Mn(II, Co(II and Ni(II are high-spin complexes but that of Cu(II forms a dimer [Cu2(C10H11O54(H2O2]. The carboxylate groups bind as monodentate or bidentate chelating or bridging ligands.

  6. Chelating Schiff base assisted azide-bridged Mn(II), Ni(II) and Cu(II) magnetic coordination polymers.

    Science.gov (United States)

    Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T S Andy

    2012-11-21

    Four new Mn(II), Ni(II) and Cu(II) coordination polymers [Mn2(L1)(μ(1,1)-N3)2(μ(1,3)-N3)2]n (1), [Ni(L2)2(μ(1,3)-N3)]n(ClO4)n (2), [Cu(L3)(μ(1,1)-N3)(N3)]n (3) and [Cu(L4)(μ(1,1)-N3)2]n (4) (L1 = N,N′-bis(2-pyridylmethylene)ethane-1,2-diamine, L2 = N-(2-pyridylmethylene)methylamine, L3 = N-(2-pyridylmethylene)-3-pyridylamine, L4 = N-(2-pyridylmethylene)-tbutylamine) have been synthesized and characterized by single-crystal X-ray analysis and magnetic measurements. Complex 1 indicates a stoichiometry-dependent structural change (based on Mn:L1:N3 = 2:1:4 molar ratio) and consists of two-dimensional (2-D) (4,4) net layers, in which Mn(II) centers are co-bridged by single end-to-end (EE), double end-on (EO) azide and chelate-bridging L1 ligands. Complex 2 shows a single EE azide-bridged one-dimensional (1-D) Ni(II) chain. Complexes 3 and 4 indicate single EO and double EO azide-bridged 1-D Cu(II) chains, respectively. Complex 1 exhibits weak ferromagnetism due to its intra-layer spin-canting with T(c) = 20 K. Complex 2 shows an unusual intra-chain ferromagnetic coupling and spin-canting behaviour. Both complexes 3 and 4 exhibit intra-chain antiferromagnetic interactions. Magneto-structural parameters for these related complexes were also discussed.

  7. Synthesis, spectroscopic characterization, DFT calculations and biological evaluation of benzothiazole derivative bearing Mn(II) and Ni(II) metal ions

    Science.gov (United States)

    El-Gamel, Nadia E. A.; Ali, Korany A.

    2017-11-01

    N-(benzo[d]thiazol-2-yl)-3-oxo-3-phenylpropanamide ligand and its Nickel and Manganese complexes have been synthesized and characterized by elemental and thermal analyses, IR, diffuse reflectance, mass and UV-Vis spectra, molar conductance and magnetic moment measurements. The decomposition mechanism and thermal stability of the investigated complexes are interpreted in terms of their structures. The thermal behaviour of the complexes has been studied and different thermodynamic parameters are calculated using Coats-Redfern method. N-(benzo[d]thiazol-2-yl)-3-oxo-3-phenylpropanamide is a neutral bidentate ligand coordinating metal ions via thiazole ring nitrogen and amide carbonyl O forming high spin octahedral complexes with Mn(II) (2) and distorted square planar in case of Ni(II) (1). Natural bond orbital analysis and geometry optimization were carried out at DFT/B3LYP/6-31G(d) level of theory for the ligand and the mentioned complexes. Ab inito computations at the HF/6-31G(d) level of the theory is conducted in order to detect any probability of a hydrogen bond formation in the ligand. The dipole moment of the Ni(II) and Mn(II) complexes is recorded to be 9.69 and 7.39 Debye, respectively, indicating that the complexes are more polarized than the ligand 2.39 Debye. The in vitro biological activity of the metal chelates is screened against the Gram-positive bacteria (Staphylococcus aureus) and Gram-negative bacteria (Escherichia coli), fungus (Aspergillus flavus, Candida albicans). Ni(II) complexes displayed the highest activity against Candida albicans and Staphylococcus aureus with MIC values of 13, 30 μg/cm3, respectively.

  8. Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases

    NARCIS (Netherlands)

    Belokon, Yuri N.; Bespalova, Natalia B.; Churkina, Tatiana D.; Císařová, Ivana; Ezernitskaya, Marina G.; Harutyunyan, Syuzanna R.; Hrdina, Radim; Kagan, Henri B.; Kočovský, Pavel; Kochetkov, Konstantin A.; Larionov, Oleg V.; Lyssenko, Konstantin A.; North, Michael; Polášek, Miroslav; Peregudov, Alexander S.; Prisyazhnyuk, Vladimir V.; Vyskočil, Štěpán

    2003-01-01

    Achiral, diamagnetic Ni(II) complexes 1 and 3 have been synthesized from Ni(II) salts and the Schiff bases, generated from glycine and PBP and PBA, respectively, in MeONa/MeOH solutions. The requisite carbonyl-derivatizing agents pyridine-2-carboxylic acid(2-benzoyl-phenyl)-amide (PBP) and

  9. Synthesis, characterization and structural studies of binuclear nickel(II complexes derived from dihydroxybenzaldehyde thiosemicarbazones, bridged by 1,2-bis(diphenylphosphinoethane

    Directory of Open Access Journals (Sweden)

    Hana B. Shawish

    2016-11-01

    Full Text Available The work described in this paper involves the synthesis and structural characterization of Ni(II complexes derived from dihydroxybenzaldehyde thiosemicarbazones (H3L1, H3L2, H3L3, H3L4 and 1,2-bis(diphenylphosphinoethane (dppe. Ligands and their Ni(II complexes were characterized by elemental analysis, IR, UV–Vis, (1H, 13C, 31P NMR, as well as magnetic moment and X-ray structure analysis. The results so obtained suggest that the thiosemicarbazone ligands behave as a tridentate ligand which were coordinated with Ni(II ion through O, N and S atoms. Furthermore, the dppe ligand was coordinated with Ni(II ion through the P atom. It is concluded that all Ni(II complexes have a Square-planar geometry.

  10. Catalytic enantioselective conjugate addition of diethylzinc using NiII-DAIB complexes

    NARCIS (Netherlands)

    Jansen, Johan F.G.A.; Feringa, Bernard

    The conjugate addition of diethylzinc to chalcone, catalyzed by a NiII complex of the chiral aminoalcohol (-)-DAIB, resulted in the formation of (R)-1,3-diphenyl-penta-1-one with enantiomeric excess up to 85%.

  11. Study of the kinetics of the transport of Cu(II), Cd(II) and Ni(II) ions through a liquid membrane.

    Science.gov (United States)

    Granado-Castro, María D; Galindo-Riaño, María D; Domínguez-Lledó, F C; Díaz-López, C; García-Vargas, M

    2008-06-01

    The coupled transport of Cu(II), Cd(II) and Ni(II) ions through a bulk liquid membrane (BLM) containing pyridine-2-acetaldehyde benzoylhydrazone (2-APBH) as carrier dissolved in toluene has been studied. Once the optimal conditions of extraction of each metal were established, a comparative study of the transport kinetics for these metals was performed by means of a kinetic model involving two consecutive irreversible first-order reactions. The kinetic parameters (apparent rate constants of the metal extraction and re-extraction reactions (k(1), k(2)), the maximum reduced concentration of the metal in the liquid membrane (R(o)max), the time of the maximum value of R(o)(t(max)) and the maximum entry and exit fluxes of the metal through the liquid membrane (J(f)max and J(s)max) of the extraction and stripping reactions were evaluated and results showed good agreement between experimental data and theoretical predictions. Complete transport through the membrane took place according to the following order: Cd(II)>Cu(II)>Ni(II), with similar kinetic parameters obtained for Cu(II) and Cd(III). The transport behaviour of Ni(II) was different to that of Cu(II) and Cd(III), probably due to the different stoichiometry of the nickel complex compared to those of the other metal ions and the different chemical conditions required for its formation. The influence of the sample salinity on the transport kinetics was studied. k(1) values decreased slightly when the feed solution salinity was increased for Cu(II) and Ni(II), but not for Cd(II). Values of k(2) were practically unaffected. The proposed BLM was applied to the preconcentration and separation of metal ions (prior to their determination) in water samples with different saline matrices (CRM, river water and seawater), and good agreement with the certified values was obtained.

  12. Ionophoretic method in the study of mixed ligand ternary chelates of UO2(II), Ni(II) and Zn(II) involving nitrilotriacetate and cytosine as ligands

    International Nuclear Information System (INIS)

    Mishra, A.P.; Mishra, S.K.; Yadava, K.L.

    1987-01-01

    A novel electrophoretic technique is described for the assessment of the equilibria in mixed-ligand complex system in solution. It is based on the movement of spot of the metal ion under an electric field with the complexants added in the background electrolyte at fixed pH. The concentration of primary ligand nitrilotriacetate was constant while that of secondary ligand (cytosine) was varied. The plot of log (cytosine) against mobility was used to obtain information on the formation of the mixed complexes and to calculate its stability constants. Experimentally obtained logK values are as 5.62, 4.55 and 4.42 for mixed complexes of UO 2 (II), Ni(II) and Zn(II) respectively at μ=0.1 and temp.=35 +- 01.degC. (author). 10 refs

  13. Adsorption of Ni(II) onto Chemically Modified Spent Grated Coconut (Cocos Nucifera)

    Science.gov (United States)

    Hamzah, F. I.; Khalid, K.; Hanafiah, M. A. K. M.

    2017-06-01

    A new adsorbent of plant waste origin from coconut processing food factory was explored for removing Ni(II) from aqueous solutions. Several parameters such as pH, dosage, concentration and contact time were studied to obtain optimum conditions for treatment of Ni(II) contaminated wastewater. Spent grated coconut (Cocos nucifera) treated with sulfuric acid (SSGC) showed good adsorption capacity for Ni(II) ion. The amount adsorbed was affected by solution pH with the highest value achieved at pH 5. Other optimum conditions found were; dosage of 0.02 g, and 60 min of equilibrium time. Ni(II) adsorption obeyed the pseudo-second order kinetic model which suggested that chemisorption mechanism occurred in the adsorption process. The equilibrium data presented a better fitting to the Langmuir isotherm model, an indication that monolayer adsorption occurred onto a homogeneous surface. The maximum adsorption capacity, qmax was 97.09 mg g-1, thus SSGC can be classified as good and comparable with other plant waste adsorbents.

  14. Crystal Structures of the Iron–Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate

    Energy Technology Data Exchange (ETDEWEB)

    Fenwick, Michael K. [Cornell Univ., Ithaca, NY (United States); Ealick, Steven E. [Cornell Univ., Ithaca, NY (United States)

    2016-07-12

    The quinolinate synthase of prokaryotes and photosynthetic eukaryotes, NadA, contains a [4Fe-4S] cluster with unknown function. We report crystal structures of Pyrococcus horikoshii NadA in complex with dihydroxyacetone phosphate (DHAP), iminoaspartate analogues, and quinolinate. DHAP adopts a nearly planar conformation and chelates the [4Fe-4S] cluster via its keto and hydroxyl groups. The active site architecture suggests that the cluster acts as a Lewis acid in enediolate formation, like zinc in class II aldolases. The DHAP and putative iminoaspartate structures suggest a model for a condensed intermediate. The ensemble of structures suggests a two-state system, which may be exploited in early steps.

  15. Synthesis and characterization of novel M(II (M = Mn(II, Ni(II, Cu(II or Zn(II complexes with tridentate N2,O-donor ligand (E-2-amino-N’-[1-(pyridin-2-yl- ethylidene]benzohydrazide

    Directory of Open Access Journals (Sweden)

    C. H. Kane

    2016-02-01

    Full Text Available The coordination chemistry towards the M(II metal centre (M = Mn, Ni, Cu or Zn of the hydrazone ligand (E-2-amino-N’-[1-(pyridin-2-ylethylidene]benzohydrazide (H3L has been explored and complexes having formulae [Mn(H2L2] (1, {[Ni(H2L2].DMF.0.4H2O} (2, {[Cu2(H2L2(µ-Cl2].DMF} (3 and [Zn(H2L2] (4 have been isolated and characterized by IR, UV-Visible spectroscopy, elemental analysis and X-ray crystal diffraction. Structural studies reveal that the mononuclear complexes (1, (2 and (4 adopt highly distorted octahedral geometries while the dinuclear complex (3 adopts a square pyramidal geometry around each copper(II ion. DOI: http://dx.doi.org/10.4314/bcse.v30i1.9

  16. Mechanistic studies of the inhibition of MutT dGTPase by the carcinogenic metal Ni(II).

    Science.gov (United States)

    Porter, D W; Nelson, V C; Fivash, M J; Kasprzak, K S

    1996-12-01

    Promutagenic 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxo-dG) levels are increased in DNA of animals exposed to carcinogenic metals, such as Ni(II). Besides being generated directly in genomic DNA, 8-oxo-dG may be incorporated there from 8-oxo-7,8-dihydro-2'-deoxyguanosine 5'-triphosphate (8-oxo-dGTP), a product of oxidative damage to the nucleotide pool. The Escherichia coli dGTPase MutT, and analogous dGTPases in rats and humans, have been suggested as a defense against such incorporation because they hydrolyze 8-oxo-dGTP to 8-oxo-7,8-dihydro-2'-deoxyguanosine 5'-monophosphate (8-oxo-dGMP). MutT and its mammalian counterparts are Mg(II)-dependent enzymes. Ni(II), in turn, is known to interact antagonistically with Mg(II) in biological systems. Thus, we hypothesized that Ni(II) might inhibit the activity of MutT. As an initial examination of this hypothesis, we conducted enzyme kinetic studies of MutT to determine the effect of Ni(II) on MutT activity and the mechanisms involved. As found, Ni(II) inhibited MutT in a concentration-dependent manner when either dGTP or 8-oxo-dGTP was the nucleotide substrate. Ni(II) was determined to be an uncompetitive inhibitor of MutT with respect to Mg(II) when dGTP was the substrate, with apparent Ki of 1.2 mM Ni(II), and a noncompetitive inhibitor with respect to Mg(II) when 8-oxo-dGTP was the substrate, with apparent Ki of 0.9 mM Ni(II). Hence, the two metal cations did not compete with each other for binding at the MutT active site. This makes it difficult to predict Ni(II) effects on 8-oxo-dGTPases of other species. However, based upon the amino acid sequences of human and rat MutT-like dGTPases, their capacity for Ni(II) binding should be greater than that of MutT. Whether this could lead to stronger inhibition of those enzymes by Ni(II), or not, remains to be investigated.

  17. Synthesis, characterization, in-vitro antimicrobial properties, molecular docking and DFT studies of 3-{(E-[(4,6-dimethylpyrimidin-2-ylimino]methyl} naphthalen-2-ol and Heteroleptic Mn(II, Co(II, Ni(II and Zn(II complexes

    Directory of Open Access Journals (Sweden)

    Chioma Festus

    2018-03-01

    Full Text Available Heteroleptic divalent metal complexes [M(L (bipy(Y]•nH2O (where M = Mn, Co, Ni, and Zn; L = Schiff base; bipy = 2,2’-bipyridine; Y = OAc and n = 0, 1 have been synthesized from pyrimidine Schiff base ligand 3-{(E-[(4,6-dimethylpyrimidin-2-ylimino]methyl} naphthalen-2-ol, 2,2’-bipyridine and metal(II acetate salts. The Schiff base and its complexes were characterized by analytical (CHN elemental analyses, solubility, melting point, conductivity measurements, spectral (IR, UV-vis, 1H and 13C-NMR and MS and magnetometry. The elemental analyses, Uv-vis spectra and room temperature magnetic moment data provide evidence of six coordinated octahedral geometry for the complexes. The metal complexes’ low molar conductivity values in dimethylsulphoxide suggested that they were non-ionic in nature. The compounds displayed moderate to good antimicrobial and antifungal activities against S. aureus, P. aeruginosa, E. coli, B. cereus, P. mirabilis, K. oxytoca, A. niger, A. flevus and R. Stolonifer. The compounds also exhibited good antioxidant potentials with ferrous ion chelation and, 1-diphenyl-2-picryl-hydrazyl (DPPH radical scavenging assays. Molecular docking studies showed a good interaction with drug targets used. The structural and electronic properties of complexes were further confirmed by density functional theory calculations.

  18. Design, synthesis, characterization and antibacterial and antifungal activity of a new 2-{(E-[(4-aminophenylimino]-methyl}-4,6-dichlorophenol and its complexes with Co(II, Ni(II, Cu(II and Zn(II: An experimental and DFT study

    Directory of Open Access Journals (Sweden)

    Bakirdere Emine Gulhan

    2016-01-01

    Full Text Available In this study, the complexes of Co (II, Ni (II, Cu (II and Zn (II with 2-(E-(4-aminophenyliminomethyl-4,6-dichlorophenol were prepared and characterized by physical, spectral and analytical data. The metal: ligand stoichiometric ratio is 1:2 in all the complexes. The results suggested that the Schiff bases are coordinated to the metal ions through the phenolic oxygens and azomethine nitrogen to give mononuclear complexes. Their structures were elucidated on the basis of elemental analysis, IR, 1H and 13C NMR spectra, UV-VIS, magnetic susceptibility measurements and thermogravimetric analyses. Both the antibacterial and antifungal activities and MIC values of compounds were reported. Among the tested compounds, the most effective compound providing a MIC value of 64 μg/mL is Zn(L2 against C. tropicalis and B. subtilis. The theoretically optimized geometries of complexes have tetrahedral structures. The computed stretching frequencies of C=N, C-O and N-H bonds were found to be in good agreement with experimental data. All calculated frequencies fall within about 5% of the experimental frequency regions.

  19. SYNTHESIS, MAGNETIC AND SPECTROSCOPIC STUDIES of Ni(II ...

    African Journals Online (AJOL)

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    magnetic moment for the Cu(II) complex is 1.9 B.M. which within the expected value for one electron. Furthermore, the complex is non-electrolyte as the molar conductance was found to be at 0.87 ohm-1 cm2 mol-1 in 10-3 M in DMSO [5, 11, 16-18]. Finally, the diamagnetic Zn(II) and Cd(II) complexes show absorption bands ...

  20. Ni (II) complexes of dithiophosphonic acids

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 4. Ni(II) complexes of dithiophosphonic acids ... Gholivand Ali Asghar Ebrahimi Valmoozi. Volume 126 Issue 4 July 2014 pp 1125-1133 ... The new compounds were additionally tested in view of their anti-bacterial properties. The ligands containing amine ...

  1. Adsorption of Ni(II and Cd(II from Aqueous Solutions Using Modified Rice Husk

    Directory of Open Access Journals (Sweden)

    Soheil Sobhanardakani

    2015-03-01

    Full Text Available Background and purpose: Recently, release of pollutants such as heavy metal ions to the environment becomes one of the most important problems for soil and water. The present study was conducted to introduce modified rice husk (RH as a new low-cost adsorbent. Materials and Methods: In this study, tartaric acid modified RH (TARH, was used as an adsorbent for removal of Ni(II and Cd(II from water samples. This study was conducted in laboratory scale. Employing batch method, solution pH, adsorbent dose, contact time, and initial metals concentration were optimized. Results: The optimum pH for removing of both the investigated metal ions from water solutions was found to be 4.0. The process of Ni(II and Cd(II adsorption on TARH reached equilibrium within 45 min. The isotherm evaluations revealed that the Langmuir model attained better fits of the experimental equilibrium data than the Freundlich model. In addition, adsorption kinetics data were well-fitted by the pseudo-second-order rate model with high regression coefficients. Conclusion: It was found that TARH is a highly efficient adsorbent for Ni and Cd from aqueous solution, and the maximum predicted adsorption capacities for Ni(II and Cd(II were obtained as 55.5 and 45.5 mg/g, respectively.

  2. Selective dispersive liquid-liquid microextraction and preconcentration of Ni(II) into a micro droplet followed by ETAAS determination using a yellow Schiff's base bisazanyl derivative

    Energy Technology Data Exchange (ETDEWEB)

    Alizadeh, Kamal, E-mail: Alizadehk@yahoo.com [Department of Chemistry, Lorestan University, Khorramabad (Iran, Islamic Republic of); Nemati, Hadi; Zohrevand, Somaieh; Hashemi, Payman; Kakanejadifard, Ali [Department of Chemistry, Lorestan University, Khorramabad (Iran, Islamic Republic of); Shamsipur, Mojtaba [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Ganjali, Mohammad Reza [Center of Excellence in Electrochemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Endocrinology and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of); Faridbod, Farnoush [Endocrinology and Metabolism Research Center, Tehran University of Medical Sciences, Tehran (Iran, Islamic Republic of)

    2013-03-01

    A simple, rapid and sensitive method was developed for the selective separation and preconcentration of Ni(II) using dispersive liquid-liquid microextraction, by a yellow Schiff's base bisazanyl derivative, as a selective complexing agent. In this method, a mixture of 45 {mu}L chloroform (extraction solvent) and 450 {mu}L tetrahydrofuran (dispersive solvent) is rapidly injected by syringe into a 5 mL aqueous sample containing 3% (w/v) sodium chloride and an appropriate amount of the Schiff's base. As a result, a cloudy solution is formed by entire dispersion of the extraction solvent into the aqueous phase. After centrifuging for 5 min at 5000 rpm, the sedimented phase is directly injected into the electrothermal atomic absorption spectrometry for Ni(II) determination. Some important parameters, such as kind and volume of extraction and dispersive solvents, extraction time, salt effect, pH and concentration of the chelating agent have been optimized. Under the optimum conditions, the enrichment factor for the presented method is 138. The calibration curve was linear over a nickel concentration range of 10-50 ng mL{sup -1}. The detection limit and relative standard deviation were 0.04 ng mL{sup -1} and 2.1%, respectively. The method was successfully applied to the extraction and determination of Ni(II) in different water samples. - Highlights: Black-Right-Pointing-Pointer A new synthesized schiff's base was used for selective separation of Ni(II) ions. Black-Right-Pointing-Pointer The method based on DLLME was successfully applied to the determination of Ni(II). Black-Right-Pointing-Pointer A cloudy solution is formed by entire dispersion of the extraction solvent into the aqueous phase. Black-Right-Pointing-Pointer In this work, the response surface analysis was used for the optimization purpose. Black-Right-Pointing-Pointer The curvature of response surface reflects the interactive effect of the variables.

  3. Synthesis and Characterization of a Schiff Base Cobalt (III) Complex ...

    African Journals Online (AJOL)

    2017-12-18

    Dec 18, 2017 ... Synthesis and Characterization of a Schiff Base Cobalt (III) Complex and ... zinc, palladium, magnesium and gold and most ..... Synthesis, spectral characterization, solution equilibria, in vitro antibacterial and cytotoxic activities of Cu(II), Ni(II), Mn(II), Co(II) and Zn(II) complexes with Schiff base derived from 5 ...

  4. Fe(II), Ni(II), Ru(II)

    Indian Academy of Sciences (India)

    Administrator

    Ru(II) and Os(II) complexes of modified phenanthroline ligands. C V SASTRI, D EASWARAMOORTHY #, ATHILAKSHMI #,. L GIRIBABU and B G MAIYA. School of Chemistry, University of Hyderabad, Hyderabad 500 046, India. #Present address: Crescent Engineering College, Vandalur, Chennai 600 048,. India.

  5. Characterizing Ni(II) hydration in aqueous solution using DFT and EXAFS.

    Science.gov (United States)

    Liu, H Y; Fang, C H; Fang, Y; Zhou, Y Q; Ge, H W; Zhu, F Y; Sun, P C; Miao, J T

    2016-01-01

    In the present work, a detailed investigation of Ni(II) hydration in water solutions was carried out using density functional theory (DFT) and extended X-ray absorption fine structure (EXAFS) spectroscopy. The hydrated characteristics of [Ni(H2O)n](2+) clusters, such as energy parameters, atomic charge distributions, and bond parameters, were explored using DFT with Becke's three-parameter exchange potential and the Lee-Yang-Parr correlation functional (B3LYP). DFT calculations indicated that the preferred structure of the first hydration shell of Ni(II) generally has a coordination number of six and is almost unaffected by the water molecules in the outer solvation shell, whereas the structure of the second solvation shell varies as the hydration proceeds. EXAFS measurements are reported for aqueous NiSO4 and Ni(NO3)2 solutions and the Ni(NO3)2·6H2O crystal. Analysis of the EXAFS spectra of these three systems using a multiparameter fitting procedure showed that, in each case, the first coordination shell consists of six water molecules with a Ni-O coordination distance of 2.04 Å, and that there is no Ni-S or Ni-N coordination in the first shell. There was no evidence of outer-shell SO4(2-) or NO3(-) ions substituting inner-sphere water molecules in NiSO4 and Ni(NO3)2. The characteristics of Ni(II) hydration obtained from DFT calculations agreed well with those obtained experimentally using EXAFS.

  6. Enthalpic Contribution of Ni(II) in the Interaction between Carbonaceous Material and Aqueous Solution

    OpenAIRE

    Liliana Giraldo; Juan Carlos Moreno-Piraján

    2017-01-01

    Solid adsorbents were prepared from corn cob that was modified with a solution of HNO3 6 M at different contact times. The solids are characterized by physical N2 adsorption at 77 K to know their surface area by applying the BET model and surface chemistry is determined using the Bohem method. Once we have prepared the adsorbents we determine the immersion enthalpy, ΔHim, of the solids in Ni(II) aqueous solutions of different concentrations between 20 and 800 mg·L−1, with values for ΔHim betw...

  7. Determination of Ni(II) crystal structure by powder x-ray diffraction ...

    African Journals Online (AJOL)

    X-ray powder diffraction pattern was used to determine the length of the unit cell, “a”, the lattice structure type, and the number of atoms per unit cell of Ni(II) crystal. The “a” value was determined to be 23.66 ± 0.005 Å, particle size of 34.87 nm, volume 13.24 Å and Strain value ε = 9.8 x 10-3. The cell search on PXRD patterns ...

  8. STUDIES OF Ni(II) & Cu(II) COMPLEXES WITH AMPICILLIN

    African Journals Online (AJOL)

    akg

    dimethyl aniline with some acyl hydrazines. The product yield varied from ... distilled water and both solutions were kept in a preheated water bath at 30 - 50oC ... The para and meta substituted isomer were found to have higher yield than the ortho.

  9. STUDIES OF Ni(II) & Cu(II) COMPLEXES WITH AMPICILLIN

    African Journals Online (AJOL)

    akg

    A potentiometric method was used and the calculation was carried out using the PKAS computer program. The corresponding pKa .... equilibrium constants of the A- + H+ ↔ AH , where AH show 4,5-dihydro-1H-1,2,4-triazol-. 5-ones ..... 8. Organic Reactions, Ed.; Moscow-. Tartu, (1985). 3. Izutsu K., Acid-base Dissociation.

  10. FORMATION OF BINARY COMPLEXES OF Co(II), Ni(II) AND Cu(II ...

    African Journals Online (AJOL)

    Preferred Customer

    INTRODUCTION. Cobalt(II), nickel(II) and copper(II) are associated with several enzymes [1, 2] and any variation ... amounts (10 mg/day), at higher levels of exposure it shows mutagenic and carcinogenic effects. [13]. Minot and ... Nickel plays numerous roles in the biology of microorganisms and plants [15, 16]. Urease, an.

  11. STUDIES OF Ni(II) & Cu(II) COMPLEXES WITH AMPICILLIN

    African Journals Online (AJOL)

    akg

    ABSTRACT. Graft copolymers of Acrylonitrile and ethyl methcrylate on dextrin were prepared by the use of ceric ion initiator in aqueous medium at 290C. The molecular weight of grafted poly(ethyl methacrylate) chains were higher than for polyacrylonitrile grafts; but the latter were more frequently grafted on the backbone ...

  12. STUDIES ON SOME VO(IV), Ni(II) AND Cu(II) COMPLEXES OF NON ...

    African Journals Online (AJOL)

    a

    The Abdus Salam International Centre for Theoretical Physics (ICTP) and. Swedish International Development Cooperation Agency (Sida) are thanked for their support. REFERENCES. 1. Kumar, D.; Gupta, P.K.; Syamal, A. J. Chem. Sci. 2005, 3, 247. 2. Britovsek, G.J.P.; Mastroianni, S.; Solan, G.A.; Baugh, S.P.D.; Redshaw, ...

  13. STUDIES OF Ni(II) & Cu(II) COMPLEXES WITH AMPICILLIN

    African Journals Online (AJOL)

    akg

    ABSTRACT. The Kolo Creek E2.0 reservoir oils from the Nigerian Niger Delta region have been studied for molecular marker by characterisation using full scan GC-MS and GC-MS-MS transition from 412 → 369. An existing molecular marker compound normally found in coals and lignites has been observed in some these ...

  14. SPECIATION OF L-ASPARTIC ACID COMPLEXES OF Co(II), Ni(II ...

    African Journals Online (AJOL)

    Preferred Customer

    Cobalt is essential for the production of the red blood cells and cobalamin acts as the substrate for the final ... Acetonitrile (GR, E-Merck) and ethylene glycol (AR, Qualigen) were used as received. 2.0 M sodium nitrate solution was prepared to maintain ionic strength in the titrand. Sodium hydroxide of 0.4 M was prepared.

  15. STUDIES OF Ni(II) & Cu(II) COMPLEXES WITH AMPICILLIN

    African Journals Online (AJOL)

    akg

    Acidity measurements of organic compounds have a long history dating back to the end of the 19th century .... performed in an 80 mL jacketed titration cell thermostated at 25.0 ± 0.1 oC and under nitrogen atmosphere ... During each titration the ionic strength was maintained at. 0.1 M NaCl and a potential reading was taken.

  16. SPECIATION OF L-ASPARTIC ACID COMPLEXES OF Co(II), Ni(II ...

    African Journals Online (AJOL)

    Preferred Customer

    Cobalt is essential for the production of the red blood cells and cobalamin acts as the substrate for the final enzymatic reaction that yields the active coenzyme derivatives of cyanocobalamin and aquacobalamin. Nickel is found in enzymes, such as urease, which is a dinuclear Ni(II)-containing metalloenzyme [8-10].

  17. Divalent metal complexes of 4-amino-N-pyrimidin-2-ylbenzene ...

    African Journals Online (AJOL)

    In all the complexes the metal ions coordinate through pyrimidinic nitrogen and sulphonamidic nitrogen of the two molecules of APS. The suggested structure for Cd(II) complex of APS is tetrahedral, while that of Cu(II), Mn(II) and Ni(II) APS complexes is octahedral. The inner coordination spheres were occupied by two water ...

  18. Sequestration of Cu(II), Ni(II), and Co(II) by ethyleneimine immobilized on silica

    International Nuclear Information System (INIS)

    Arakaki, Luiza N.H.; Alves, Ana Paula M.; Silva Filho, Edson C. da; Fonseca, Maria G.; Oliveira, Severino F.; Espinola, Jose Geraldo P.; Airoldi, Claudio

    2007-01-01

    Thermodynamic data on interaction of Cu(II), Ni(II), and Co(II) with silica modified with ethyleneimine are obtained by calorimetric titration. The amount of ethyleneimine anchored on silica surface was estimated to be 0.70 mmol g -1 . The enthalpies of binding Ni(II), Cu(II) and Co(II), are -3.59 ± 0.001, -4.88 ± 0.001, and -7.75 ± 0.003 kJ mol -1 , respectively

  19. Preparation and use of samarium diiodide (SmI(2)) in organic synthesis: the mechanistic role of HMPA and Ni(II) salts in the samarium Barbier reaction.

    Science.gov (United States)

    Sadasivam, Dhandapani V; Choquette, Kimberly A; Flowers, Robert A

    2013-02-04

    reduction potential of SmI(2) by coordinating to the samarium metal center, producing a more powerful,(13-14,18) sterically encumbered reductant(19-21) and in some cases playing an integral role in post electron-transfer steps facilitating subsequent bond-forming events.(22) In the Sm-Barbier reaction, HMPA has been shown to additionally activate the alkyl halide by forming a complex in a pre-equilibrium step.(23) Ni(II) salts are a catalytic additive used frequently in Sm-mediated transformations.(24-27) Though critical for success, the mechanistic role of Ni(II) was not known in these reactions. Recently it has been shown that SmI(2) reduces Ni(II) to Ni(0), and the reaction is then carried out through organometallic Ni(0) chemistry.(28) These mechanistic studies highlight that although the same Barbier product is obtained, the use of different additives in the SmI(2) reaction drastically alters the mechanistic pathway of the reaction. The protocol for running these SmI(2)-initiated reactions is described.

  20. mixed-ligand complexes of dimethylglyoxime

    African Journals Online (AJOL)

    STORAGESEVER

    2009-01-05

    Jan 5, 2009 ... [Co(Hdmg)2(dea)2] that was black maureen; Ni(II) complexes were red and those of Cu(II) were black, grey- ash and light green. The melting points/decomposition temperatures (M.P./D.T.) complexes are shown in Table. 1. Some are sharp and range within 130 - 304°C. Some however decomposed before ...

  1. Metallic complexes with glyphosate: a review

    International Nuclear Information System (INIS)

    Coutinho, Claudia F.B.; Mazo, Luiz Henrique

    2005-01-01

    We present studies involving metallic ions and the herbicide glyphosate. The metallic complexes of Cu(II), Zn(II), Mn(II), Ni(II), Cd(II), Pb(II), Cr(III), Fe(III), Co(III), ammonium, sodium, Ag(I), alkaline earth metals and of some lanthanides ions are described. The complexes are discussed in terms of their synthesis, identification, stability and structural properties, based on data from the current literature. (author)

  2. Enthalpic Contribution of Ni(II in the Interaction between Carbonaceous Material and Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Liliana Giraldo

    2017-01-01

    Full Text Available Solid adsorbents were prepared from corn cob that was modified with a solution of HNO3 6 M at different contact times. The solids are characterized by physical N2 adsorption at 77 K to know their surface area by applying the BET model and surface chemistry is determined using the Bohem method. Once we have prepared the adsorbents we determine the immersion enthalpy, ΔHim, of the solids in Ni(II aqueous solutions of different concentrations between 20 and 800 mg·L−1, with values for ΔHim between 10.0 and 35.3 J·g−1. From the results obtained for the immersion enthalpy in function of the ion Ni(II concentration we calculate the contribution to the immersion enthalpy that corresponds to the ion when it is treated with the system adsorbent-solution as a mixture in which the solid, the solvent, and the adsorbate are involved. The solution thermodynamics allows for establishing the enthalpic changes that bring the ion in function of the concentration and the intensity of the interaction of solid-metal ion that is favored by the presence of acid groups in the solid.

  3. Photochemical reaction between biphenyl and N(III) in the atmospheric aqueous phase.

    Science.gov (United States)

    Ma, Jianzhong; Zhu, Chengzhu; Lu, Jun; Wang, Tao; Hu, Shuheng; Chen, Tianhu

    2017-01-01

    The photochemical reaction between biphenyl (Bp) and N(III) under irradiation at 365 nm UV light was investigated. The results showed that Bp conversion efficiency was strongly influenced by N (III) concentration, Bp initial concentration and pH. Species-specific rate constants determined by reaction of Bp with H 2 ONO + (k 1 ), HONO (k 2 ) and NO 2 - (k 3 ) were k 1  = (0.058 ± 0.005 L mol -1  s -1 ), k 2  = (0.12 ± 0.06 L mol -1  s -1 ) and k 3  = (0.0019 ± 0.0003 L mol -1  s -1 ), respectively. Laser flash photolysis studies confirmed that OH radical deriving from the photolysis of N(III) attacked aromatic ring to form Bp-OH adduct with a rate constant of 9.4 × 10 9  L mol -1  s -1 . The products analysis suggested that Bp-OH adduct could be nitrated by N (III) and NO 2 to generate nitro-compounds. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Adsorption and co-adsorption of graphene oxide and Ni(II) on iron oxides: A spectroscopic and microscopic investigation.

    Science.gov (United States)

    Sheng, Guodong; Huang, Chengcai; Chen, Guohe; Sheng, Jiang; Ren, Xuemei; Hu, Baowei; Ma, Jingyuan; Wang, Xiangke; Huang, Yuying; Alsaedi, Ahmed; Hayat, Tasawar

    2018-02-01

    Graphene oxide (GO) may strongly interact with toxic metal ions and mineral particles upon release into the soil environment. We evaluated the mutual effects between GO and Ni (Ni(II)) with regard to their adsorption and co-adsorption on two minerals (goethite and hematite) in aqueous phase. Results indicated that GO and Ni could mutually facilitate the adsorption of each other on both goethite and hematite over a wide pH range. Addition of Ni promoted GO co-adsorption mainly due to the increased positive charge of minerals and cation-π interactions, while the presence of GO enhanced Ni co-adsorption predominantly due to neutralization of positive charge and strong interaction with oxygen-containing functional groups on adsorbed GO. Increasing adsorption of GO and Ni on minerals as they coexist may thus reduce their mobility in soil. Extended X-ray absorption fine structure (EXAFS) spectroscopy data revealed that GO altered the microstructure of Ni on minerals, i.e., Ni formed edge-sharing surface species (at R Ni-Fe ∼3.2 Å) without GO, while a GO-bridging ternary surface complexes (at R Ni-C ∼2.49 Å and R Ni-Fe ∼4.23 Å) was formed with GO. These findings improved the understanding of potential fate and toxicity of GO as well as the partitioning processes of Ni ions in aquatic and soil environments. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Biosorption of Cr(VI), Ni(II) and Fe(II) by maize ( zea mays ) cob ...

    African Journals Online (AJOL)

    The experimental results for the biosorption of Cr(VI), Ni(II) and Fe(II) onto maize cob were reported. The adsorbents efficiency on the bioremediation of these metals was estimated from the change in the percent adsorbate removal with (i) adsorbent dosage (ii) adsorbate initial concentration, (iii) variation in pH of the ...

  6. Metal Ion Selectivity of Kojate Complexes: A Theoretical Study

    Directory of Open Access Journals (Sweden)

    Sarita Singh

    2013-01-01

    Full Text Available Density functional calculations have been performed on four-coordinate kojate complexes of selected divalent metal ions in order to determine the affinity of the metal ions for the kojate ion. The complexation reactions are characterized by high energies, showing that they are highly exothermic. It is found that Ni(II exhibits the highest affinity for the kojate ion, and this is attributed to the largest amount of charge transfer from the ligand to the metal ion. The Ni(II complex has distorted square planar structure. The HOMOs and LUMOs of the complexes are also discussed. All complexes display a strong band at ~1500 cm−1 corresponding to the stretching frequency of the weakened carbonyl bond. Comparison of the complexation energies for the two steps shows that most of the complexation energy is realized in the first step. The energy released in the second step is about one-third that of the first step.

  7. Synthesis and structural studies of first row transition metal complexes of N-(2-nitro-benzilidine-3-hydrazino quinoxaline-2-one

    Directory of Open Access Journals (Sweden)

    P.V. Anantha Lakshmi

    2008-12-01

    Full Text Available Cr(III, Mn(II, Fe(III, Co(II, Ni(II and Cu(II complexes of N-(2-nitro-benzilidene-3-hydrazino quinoxaline-2-one (NBHQO have been synthesized and characterized by elemental analysis, conductance, thermal, spectral and magnetic data. NBHQO acts as a bidentate ON donor in all the complexes except in Ni(II complex in which it acts as a tridentate ONO donor. Octahedral geometries have been proposed for all the complexes except for Cu(II complex to which the square planar geometry is assigned.

  8. Copper(II), cobalt(II), nickel(II) and zinc(II) complexes of Schiff base ...

    Indian Academy of Sciences (India)

    Unknown

    metal (II) complexes with Schiff bases, in the pre- sent paper we report the synthesis and characteriza- tion of Cu(II), Co(II), Ni(II) and Zn(II) complexes of Schiff base derived from the condensation of benzil-2,4-dinitrophenylhydrazone with aniline. The proposed structure of the complexes is shown in chart 1. 2. Experimental.

  9. New hexadentate macrocyclic ligand and their copper(II) and nickel(II) complexes: Spectral, magnetic, electrochemical, thermal, molecular modeling and antimicrobial studies

    Science.gov (United States)

    Chandra, Sulekh; Ruchi; Qanungo, Kushal; Sharma, Saroj. K.

    Ni(II) and Cu(II) complexes were synthesized with a hexadentate macrocyclic ligand [3,4,8,9tetraoxo-2,5,7,10tetraaza-1,6dithio-(3,4,8,9) dipyridinedodecane(L)] and characterized by elemental analysis, molar conductance measurements, mass, NMR, IR, electronic, EPR spectral, thermal and molecular modeling studies. All the complexes are 1:2 electrolytes in nature and may be formulated as [M(L)]X2 [where, M = Ni(II) and Cu(II) and X = Cl-, NO3-, ½SO42-, CH3COO-]. On the basis of IR, electronic and EPR spectral studies an octahedral geometry has been assigned for Ni(II) complexes and tetragonal geometry for Cu(II) complexes. The antimicrobial activities and LD50 values of the ligand and its complexes, as growth inhibiting agents, have been screened in vitro against two different species of bacteria and plant pathogenic fungi.

  10. Dinuclear metal complexes derived from a bis-chelating heterocyclic ...

    African Journals Online (AJOL)

    The analytical data indicate that the metal to ligand ratio is 2:1 in all the complexes. The coordination of triethylamine, water and chloride ion are observed in the Co(II), Zn(II) and Ni(II) complexes. The absence of ionizable or coordinated chloride in Cu(II) complex is a notable feature. Octahedral geometry for Co(II), Zn(II) and ...

  11. Involvement of organic acids and amino acids in ameliorating Ni(II) toxicity induced cell cycle dysregulation in Caulobacter crescentus: a metabolomics analysis.

    Science.gov (United States)

    Jain, Abhishek; Chen, Wei Ning

    2018-04-03

    Nickel (Ni(II)) toxicity is addressed by many different bacteria, but bacterial responses to nickel stress are still unclear. Therefore, we studied the effect of Ni(II) toxicity on cell proliferation of α-proteobacterium Caulobacter crescentus. Next, we showed the mechanism that allows C. crescentus to survive in Ni(II) stress condition. Our results revealed that the growth of C. crescentus is severely affected when the bacterium was exposed to different Ni(II) concentrations, 0.003 mM slightly affected the growth, 0.008 mM reduced the growth by 50%, and growth was completely inhibited at 0.015 mM. It was further shown that Ni(II) toxicity induced mislocalization of major regulatory proteins such as MipZ, FtsZ, ParB, and MreB, resulting in dysregulation of the cell cycle. GC-MS metabolomics analysis of Ni(II) stressed C. crescentus showed an increased level of nine important metabolites including TCA cycle intermediates and amino acids. This indicates that changes in central carbon metabolism and nitrogen metabolism are linked with the disruption of cell division process. Addition of malic acid, citric acid, alanine, proline, and glutamine to 0.015 mM Ni(II)-treated C. crescentus restored its growth. Thus, the present work shows a protective effect of these organic acids and amino acids on Ni(II) toxicity. Metabolic stimulation through the PutA/GlnA pathway, accelerated degradation of CtrA, and Ni-chelation by organic acids or amino acids are some of the possible mechanisms suggested to be involved in enhancing C. crescentus's tolerance. Our results shed light on the mechanism of increased Ni(II) tolerance in C. crescentus which may be useful in bioremediation strategies and synthetic biology applications such as the development of whole cell biosensor.

  12. Artificial neural networks study of the catalytic reduction of resazurin: stopped-flow injection kinetic-spectrophotometric determination of Cu(II) and Ni(II)

    International Nuclear Information System (INIS)

    Magni, Diana M.; Olivieri, Alejandro C.; Bonivardi, Adrian L.

    2005-01-01

    An artificial neural network (ANN) procedure was used in the development of a catalytic spectrophotometric method for the determination of Cu(II) and Ni(II) employing a stopped-flow injection system. The method is based on the catalytic action of these ions on the reduction of resazurin by sulfide. ANNs trained by back-propagation of errors allowed us to model the systems in a concentration range of 0.5-6 and 1-15 mg l -1 for Cu(II) and Ni(II), respectively, with a low relative error of prediction (REP) for each cation: REP Cu(II) = 0.85% and REP Ni(II) = 0.79%. The standard deviations of the repeatability (s r ) and of the within-laboratory reproducibility (s w ) were measured using standard solutions of Cu(II) and Ni(II) equal to 2.75 and 3.5 mg l -1 , respectively: s r [Cu(II)] = 0.039 mg l -1 , s r [Ni(II)] = 0.044 mg l -1 , s w [Ni(II)] = 0.045 mg l -1 and s w [Ni(II)] = 0.050 mg l -1 . The ANNs-kinetic method has been applied to the determination of Cu(II) and Ni(II) in electroplating solutions and provided satisfactory results as compared with flame atomic absorption spectrophotometry method. The effect of resazurin, NaOH and Na 2 S concentrations and the reaction temperature on the analytical sensitivity is discussed

  13. Copolymerization of ethylene with polar monomers: chain propagation and side reactions. A DFT theoretical study using zwitterionic Ni(II) and Pd(II) catalysts.

    Science.gov (United States)

    Szabo, Miklos J; Galea, Natasha M; Michalak, Artur; Yang, Sheng-Yong; Groux, Laurent F; Piers, Warren E; Ziegler, Tom

    2005-10-26

    Calculations utilizing anionic substituted derivates of the cationic N(wedge)N--Ni(II) and Pd(II) diimine Brookhart complex have been carried out on the barriers of ethylene and acrylonitrile insertion into a M- methyl, propyl and CH(CN)Et bond for M = Ni, Pd. The possibility of side reactions such as chelate formation with the polar functionality and oligomerization of the active species after acrylonitrile insertion are explored. The diimine ring system N--N = -NR' 'CR(1)CR(2)NR' ' with R' ' = 2,6-C(6)H(3)(i-Pr)(2) and R(1),R(2) = Me was functionalized by adding one or two anionic groups (BF(3)(-), etc.) in place of i-Pr on the aryl rings or by replacing one Me diimine backbone group (R(1)) with BH(3)(-). The objective of this investigation is computationally to design catalysts for ethylene/acrylonitrile copolymerization that have activities that are comparable to that of the cationic Ni(II) diimine or at least the Pd(II) diimine Brookhart system for ethylene homopolymerization. Complexes that might meet this objective are discussed.

  14. Rapid removal of Ni(II from aqueous solution using 3-Mercaptopropionic acid functionalized bio magnetite nanoparticles

    Directory of Open Access Journals (Sweden)

    Sada Venkateswarlu

    2015-12-01

    Full Text Available The surfaces of bio magnetite nanoparticles were functionalized with 3-Mercaptopropionic acid (3 MPA and used as a high-capacity and recyclable adsorbent for the rapid removal of Ni(II from aqueous solution. The 3 MPA@Fe3O4 MNPs were characterized by Fourier transformed infrared analysis (FT-IR, transmission electron microscopy (TEM, energy dispersive X-ray spectroscopy (EDS and vibrating sample magnetometer (VSM analysis. This 3 MPA@Fe3O4 MNPs have been used for removal of Ni(II from aqueous solution. The hysteresis loops of 3 MPA@Fe3O4 MNPs shows an excellent ferromagnetic behavior with saturation magnetization value of 14.02 emu/g. The adsorption isotherm data were fitted well to Langmuir isotherm, the monolayer adsorption capacity was found to be 42.01 mg/g at 303 K. The experimental kinetic data fitted very well the pseudo-second-order model.The results indicate that the biogenic 3 MPA@Fe3O4 MNPs act as significant adsorbent material for removal of Ni(II aqueous solution and also considered as a potential adsorbent for hazardous metal ions from wastewater.

  15. Theoretical study of heavy metal Cd, Cu, Hg, and Ni(II) adsorption on the kaolinite(0 0 1) surface

    International Nuclear Information System (INIS)

    Zhao, Jian; He, Man-Chao

    2014-01-01

    Highlights: • We investigated the adsorption of Cd, Cu, Hg, and Ni(II) on kaolinite(0 0 1) surface. • The adsorption capabilities of the kaolinite for HM atoms were Ni > Cu > Cd > Hg(II). • The adsorption energy increases with the coverage for Cd, Cu, and Hg(II) atoms. • The adsorption energy decreases with the coverage for Ni(II) atoms. - Abstract: Heavy metal pollution is currently of great concern because it has been recognized as a potential threat to air, water, and soil. Adsorption was one of the most popular methods for the removal of heavy metal. The adsorption of heavy metal Cd, Cu, Hg, and Ni(II) atoms on the hydroxylated (0 0 1) surface of kaolinite was investigated using density-functional theory within the generalized gradient approximation and a supercell approach. The coverage dependence of the adsorption structures and energetics were systematically studied for a wide range of coverage Θ [from 0.11 to 1.0 monolayers (ML)] and adsorption sites. The most stable among all possible adsorption sites for Cd(II) atom was the two-fold bridge site followed by the one-fold top site, and the top site was the most favorite adsorption site for Cu and Ni(II) atoms, while the three-fold hollow site was the most stable adsorption site for Hg(II) atom followed by the two-fold bridge site. The adsorption energy increases with the coverage for Cd, Cu, and Hg(II) atoms, thus indicating the higher stability of surface adsorption and a tendency to the formation of adsorbate islands (clusters) with increasing the coverage. However, the adsorption energy of Ni(II) atoms decreases when increasing the coverage. The adsorption capabilities of the kaolinite clay for the heavy metal atoms were in the order of Ni > Cu > Cd > Hg(II). The other properties of the Cd, Cu, Hg, and Ni(II)/kaolinite(0 0 1) system including the different charge distribution, the lattice relaxation, and the electronic density of states were also studied and discussed in detail

  16. Dimetal Complexes of a Bibrachial 2+2 Thiolate-based Macrocycle

    DEFF Research Database (Denmark)

    Lennartson, Anders; McKee, Vickie; Nelson, Jane

    2012-01-01

    Protocols for accessing the [2+3] and [2+2] tren + thiophenolate-based cryptands and macrocycles, respectively, have been devised; however, a propensity towards incomplete crypt formation is clear: Cd(II)2, Mn(II)2, Ni(II)2 and Pd(II)2 complexes of the [2+2] bibrachial systems in which one arm of...

  17. Cobalt(III), nickel(II) and ruthenium(II) complexes of 1,10 ...

    Indian Academy of Sciences (India)

    Abstract. DNA binding and photocleavage characteristics of a series of mixed- ligand complexes of the type [M(phen)2LL]n+ (where M = Co(III), Ni(II) or Ru(II),. LL = 1,10-phenanthroline (phen), phenanthroline-dione (phen-dione) or dipyridophenazine (dppz) and n = 3 or 2) have been investigated in detail. Various.

  18. BIOASSAY STUDIES OF METAL(II) COMPLEXES OF 2,2'-(ETHANE ...

    African Journals Online (AJOL)

    Preferred Customer

    ethane-1,2- ... In the present work EDDA was complexed with Ni(II), Cu(II) and ..... 1978, 33b, 67. 11. Hussain, M.S.; Rehman, S.U. Inorg. Chim. Acta 1982, 60, 233. 12. Sorenson, J.R.L. Inflammatory Diseases and Copper, Human Press: New ...

  19. Activated carbon prepared from biomass as adsorbent: elimination of Ni(II) from aqueous solution.

    Science.gov (United States)

    Kadirvelu, K; Senthilkumar, P; Thamaraiselvi, K; Subburam, V

    2002-01-01

    Activated carbon (AC) prepared from waste Parthenium was used to eliminate Ni(lI) from aqueous solution by adsorption. Batch mode adsorption experiments are carried out, by varying contact time, metal ion concentration, carbon concentration, pH and desorption to assess kinetic and equilibrium parameters. They allowed initial adsorption coefficient, adsorption rate constant and maximum adsorption capacities to be computed. The adsorption data were modeled by using both Langmuir and Freundlich classical adsorption isotherms. The adsorption capacity (Q0) calculated from the Langmuir isotherm was 54.35 mg Ni(II)/g of AC at initial pH of 5.0 and 20 degrees C, for the particle size 250-500 microm. Increase in pH from 2 to 10 increased percent removal of metal ion. The regeneration by HCl of Ni(II)-saturated carbon by HCl, allowed suggestion of an adsorption mechanism by ion-exchange between metal ion and H+ ions on the AC surfaces. Quantitative recovery of Ni(II) was possible with HCl.

  20. Studies on complexation of a tridentate ONS Schiff base with lighter and heavier metals ions, and investigation into their biological properties

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Ali, A.M.; Juan, W.D.; Crouse, K.A.; Silong, S.

    1999-05-01

    Several new complexes of a tridentate ONS Schiff base derived from the condensation of S-benzyldithiocarbazate with salicylaldehyde have been characterised by elemental analyses, molar conductivity measurements, infrared, and electronic spectral studies. The tridentate Schiff base (HONSH) behaves as a dinegatively charged ligand coordinating through the thiolo sulphur, the azomethine nitrogen atom and the hydroxyl oxygen atom. It forms mono-ligand complexes of the general formula, [M(ONS)X], [M = Ni(II), Cu(II), Cr(III), Sb(III), Zn(II), Zr(IV) or U(VI) and X = H 2 O, Cl]. The ligand produced bis-chelated complex with Th(IV) of composition, [Th(ONS) 2 ]. Square-planar structures were proposed for the Ni(II) and Cu(II) complexes. Antimicrobial tests indicated that the Schiff base and five of the metal complexes of Cu(II), Ni(II), U(VI), Zn(II) and Sb(III) were found to be strongly active against bacteria. Ni(II) and Sb(III) complexes were the most effective against Pseudomonas aeruginosa (gram negative) while the Cu(II) complex proved to be the best against Bacillus cereus (gram positive bacteria). Antifungal activities were also noted with the Schiff base and the U(VI) complex. These compounds have shown results against Candida albicans fungi. But none of these compounds were effective against Aspergillus ochraceous fungi. (author)

  1. Synthesis and characterization of transition metal complexes derived from some biologically active furoic acid hydrazones

    Directory of Open Access Journals (Sweden)

    P. Venkateswar Rao

    2007-04-01

    Full Text Available Two new physiologically active ligands, N’-2-[(E-1-hydroxy-4-methyl-2-oxo-2H-8-chromenyl ethylidene-2-furan carbohydrazide (HMCFCH and N’-2-[(Z-1-(4-hydroxy-6-methyl-2-oxo-2H-pyranyl ethylidene]-furan carbohydrazide (HMPFCH and their VO(II, Mn(II, Fe(II, Co(II, Ni(II and Cu(II complexes have been prepared. The ligands and the metal complexes have been characterized by elemental analyses, electrical conductance, magnetic susceptibility measurements, UV-Vis, IR, and ESR spectroscopic data. Basing on the above data, Fe(II and Co(II complexes of HMCFCH and HMPFCH have been assigned a dimeric octahedral geometry. VO(II complexes of HMCFCH and HMPFCH have been assigned sulfate bridged dimeric square pyramidal geometry. Mn(II complex of HMCFCH has been assigned a dimeric octahedral geometry, where as Mn(II complex of HMPFCH has been ascribed to monomeric octahedral geometry. Cu(II and Ni(II complexes of HMCFCH have been ascribed to a polymeric structure. Ni(II complex of HMPFCH has been assigned a dimeric square planar geometry. Cu(II complex of HMPFCH has been proposed an octahedral geometry. The ligands and their metal chelates were screened against S. aureus and P. aeruginosa. The ligands and the metal complexes have been found to be active against these microorganisms. The ligands show more activity than the metal complexes.

  2. Effect of the type of metal on the electrical conductivity and thermal properties of metal complexes: The relation between ionic radius of metal complexes and electrical conductivity

    Science.gov (United States)

    Morgan, Sh. M.; El-Ghamaz, N. A.; Diab, M. A.

    2018-05-01

    Co(II) complexes (1-4) and Ni(II) complexes (5-8) were prepared and characterized by elemental analysis, IR spectra and thermal analysis data. Thermal decomposition of all complexes was discussed using thermogravimetric analysis. The dielectric properties and alternating current conductivity were investigated in the frequency range 0.1-100 kHz and temperature range 300-660 K. The thermal activation energies of electrical conductivity (ΔE1 and ΔE2) values for complexes were calculated and discussed. The values of ΔE1 and ΔE2 for complexes (1-8) were found to decrease with increasing the frequency. Ac electrical conductivity (σac) values increases with increasing temperatures and the values of σac for Co(II) complexes are greater than Ni(II) complexes. Co(II) complexes showed a higher conductivity than other Ni(II) complexes due to the higher crystallinity as confirmed by X-ray diffraction analysis.

  3. Biosorption Study of Ni(II on Apple Peel Granola from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Mohammad Hossien Salmani Nodoushan

    2014-11-01

    Full Text Available Introduction: Nickel is found in varies industrial processes such as electroplating, leather tanning, cement preservations, paints and pigments, textile, steel fabrication and canning industries. It is proved that Ni(II has several health hazards such as carcinogenic. The aim of this study was the evaluation of Ni(IIadsorption on Apple peel granola from aqueous solution. Material and Methods: This study was done in laboratory scale and batch condition. In this study, the effects adsorbent dose, contact time and pH were investigated on the removal of nickel by batch process. The Apple peels granola prepared in lab conditions, and sieved by standard sieves of 60-100 mesh. The nickel concentration in standard and unknown samples was measured by AA spectrophotometer. For understanding of the adsorption process, the experimental data were analyzed with some isotherm and kinetic models. Results: The maximum removal at was found in pH= 7. The nickel removal efficiency decreased from 50.1 to 25% by increasing adsorbent dosage. By increasing of pH from 3 to 7, the removal efficiency increased from 19.8% to 35.0% at 30 min contact time. The adsorption isotherm and Kinetic analysis of our results showed that the results well fitted by the Frundlich isotherm model (R2= 0.909 and pseudo-first-order kinetic model (R2= 0.926. Conclusion: the results showed that Apple peel granola is able to absorb the nickel from aqueous solutions and removal efficiency was more in pH=7. Preparing of Apple peel granola adsorbent is simple, cheap and its application is in priority because of its porous structure in comparison with other natural adsorbents.

  4. Kinetic and thermodynamic studies of the Co(II) and Ni(II) ions removal from aqueous solutions by Ca-Mg phosphates.

    Science.gov (United States)

    Ivanets, A I; Srivastava, V; Kitikova, N V; Shashkova, I L; Sillanpää, M

    2017-03-01

    The aim of this work was to study the sorption kinetics and thermodynamics of Co(II) and Ni(II) from aqueous solutions by sorbents on the basis of hydrogen (PD-1) and tertiary (PD-2) Ca-Mg phosphates depending on the solution temperature and sorbents chemical composition. Kinetic studies of adsorption of Co(II) and Ni(II) ions onto samples of phosphate sorbents were performed in batch experiment at the temperatures 288, 303, 318 and 333 K. The sorbent dose was fixed at 10 g L -1 , initial pH value 2.6, and contact time varied from 5 to 600 min. The kinetics of Co(II) and Ni(II) adsorption were analyzed by using pseudo-first order, pseudo-second order and intraparticle diffusion models. Thermodynamic parameters (ΔG°, ΔH° and ΔS°) for the sorption of Co(II) and Ni(II) were determined using the Gibbs-Helmholtz equation. The calculated kinetic parameters and corresponding correlation coefficients revealed that Co(II) and Ni(II) uptake process followed the pseudo-second order rate expression. Thermodynamic studies confirmed the spontaneous and endothermic nature of removal process which indicate that sorption of Co(II) and Ni(II) ions onto both phosphate sorbents is favoured at higher temperatures and has the chemisorptive mechanism. The data thus obtained would be useful for practical application of the low cost and highly effective Ca-Mg phosphate sorbents. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Synthesis and Characterization of the Adducts of Morpholinedithioccarbamate Complexes of Oxovanadium (IV, Nickel(II, and Copper(II with Piperidine and Morpholine

    Directory of Open Access Journals (Sweden)

    Mousami Sharma

    2012-01-01

    Full Text Available A series of 1:1 adducts of bis(morpholinedithiocarbamato complex of VO(IV, 1:1 and 1:2 adducts of bis(morpholinedithiocarbamato complexes of Ni(II and Cu(II with piperidine and morpholine have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibility, IR, UV-Vis, and TGA/DTA techniques. Analytical data reveals that VO(IV complex forms only 1:1 adducts with the formula [VO(morphdtc2L].H2O while Ni(II and Cu(II complexes form both 1:1 and 1:2 adducts with 1:1 adducts having general formula Ni(morphdtc2.L and Cu(morphdtc2.L and 1:2 adducts having general formula Ni(morphdtc2.L2 and Cu(morphdtc2.L2 (morphdtc = morpholinedithiocarbamate, L = morpholine and piperidine. Antifungal activity of some complexes has been carried out against the fungal strain Fusarium oxysporium. Thermal studies indicate a continuous weight loss. A square pyramidal geometry has been proposed for the 1:1 adducts of Ni(II and Cu(II complexes while an octahedral geometry has been proposed for the 1:1 adducts of VO(IV and for the 1:2 adducts of Ni(II and Cu(II complexes.

  6. Synthesis, Characterization, and Biological Activity of Nickel (II) and Palladium (II) Complex with Pyrrolidine Dithiocarbamate (PDTC)

    OpenAIRE

    Sk Imadul Islam; Suvendu Bikash Das; Sutapa Chakrabarty; Sudeshna Hazra; Akhil Pandey; Animesh Patra

    2016-01-01

    The synthesis of square planar Ni(II) and Pd(II) complexes with pyrrolidine dithiocarbamate (PDTC) was characterized by elemental, physiochemical, and spectroscopic methods. Two complexes were prepared by the reaction of nickel acetate and palladium acetate with pyrrolidine dithiocarbamate (PDTC) in 1 : 2 molar ratio. The bovine serum albumin (BSA) interaction with complexes was examined by absorption and fluorescence spectroscopic techniques at pH 7.4. All the spectral data suggest that coor...

  7. SYNTHESIS AND CHARACTERIZATION OF SALICYLALDAZINE AND ITS METAL (II) COMPLEXES DERIVED FROM METAL (II) CHLORIDES

    OpenAIRE

    Jamila wazir

    2016-01-01

    The salicylaldazine (ligand) and its metal (II) complexes like copper (II), nickel (II), zinc (II), cobalt (II) and manganese (II) complexes has been synthesized and characterized by different techniques using FTIR, UV-VIS spectroscopy. The ligand (salicylaldazine) is synthesized by the condensation reaction of salicylaldehyde and hydrazine sulfate. The salicylaldazine metal (II) complexes like Cu (II) , Ni(II), Zn (II), Co(II), Mn(II) were prepared by using metal (II) chloride in dioxane. Th...

  8. Synthesis, characterization and biological activity of symmetric dinuclear complexes derived from a novel macrocyclic compartmental ligand

    International Nuclear Information System (INIS)

    Mruthyunjayaswamy, B.H.M.; Ijare, Omkar B.; Jadegoud, Y.

    2005-01-01

    A phenol based novel macrocyclic binucleating compartmental ligand N,N-bis(2,6-diiminomethyl-4-methyl-1-hydroxyphenyl)malonoyldicarboxamide was prepared. The complexes were prepared by template method by reacting 2,6-diformyl-4-methylphenol, malonoyl dihydrazide and the metal chlorides of Cu(II), Ni(II), Co(II), Cd(II), Zn(II) and Hg(II) in methanol to get a series of dinuclear complexes. The complexes were characterized by elemental analyses, conductivity measurements, magnetic susceptibility data, IR, UV-Vis, ESR, NMR and FAB mass spectral data. The dinuclear nature of the complexes was confirmed on the basis of elemental analyses, magnetic susceptibility, ESR and FAB mass spectral data. The ligand as well as Cu(II), Ni(II), Co(II) and Zn(II) complexes were tested for their antibacterial and antifungal properties against Escherichia coli, Staphyloccocus aureus, Aspergillus niger and Fusarium oxysporum. Magnetic susceptibility measurements of Cu(II), Ni(II) and Co(II) complexes reveal that these complexes exhibit antiferromagnetic coupling behavior due to the presence of two metal ions in close proximity. FAB mass spectrum of the Cu(II) complex gave a clear evidence for the dinuclear nature. The ligand and the complexes were found to be less active against the tested bacteria, but the ligand alone was found active against the fungus Fusarium oxysporum. (author)

  9. Synthesis, structural characterization and antimicrobial activity evaluation of metal complexes of sparfloxacin

    Science.gov (United States)

    El-Gamel, Nadia E. A.; Zayed, M. A.

    2011-11-01

    The synthesis and characterization of binary Cu(II)- ( 1), Co(II)- ( 2), Ni(II)- ( 3), Mn(II)- ( 4), Cr(III)- ( 5), Fe(III)- ( 6), La(III)- ( 7), UO 2(VI)- ( 8) complexes with sparfloxacin ( HL1) and ternary Cu(II)- ( 9), Co(II)- ( 10), Ni(II)- ( 11), Mn(II)- ( 12), Cr(III)- ( 13), Fe(III)- ( 14), La(III)- ( 15), UO 2(VI)- ( 16) complexes with sparfloxacin ( HL1) and DL-alanine ( H2L2) complexes are reported using elemental analysis, molar conductance, magnetic susceptibility, IR, UV-Vis, thermal analysis and 1H-NMR spectral studies. The molar conductance measurements of all the complexes in DMF solution correspond to non-electrolytic nature. All complexes were of the high-spin type and found to have six-coordinate octahedral geometry except the Cu(II) complexes which were four coordinate, square planar and U- and La-atoms in the uranyl and lanthanide have a pentagonal bipyramidal coordination sphere. The antimicrobial activity of these complexes has been screened against two Gram-positive and two Gram-negative bacteria. Antifungal activity against two different fungi has been evaluated and compared with reference drug sparfloxacin. All the binary and ternary complexes showed remarkable potential antimicrobial activity higher than the recommended standard agents. Ni(II)- and Mn(II) complexes exhibited higher potency as compared to the parent drug against Gram-negative bacteria.

  10. Recovery of Cd(II), Co(II) and Ni(II) from Chloride Medium by Solvent Extraction Using CYANEX 923 and CYANEX 272 I

    International Nuclear Information System (INIS)

    Ahmed, M.; El Dessouky, S.I.; El-Nadi, Y.A.; Daoud, J.A.; Saad, E.A.

    2008-01-01

    The paper aims to study the extraction and separation of Cd(II), Co(II) and Ni(II) from their mixtures in hydrochloric acid medium with CYANEX 923 in kerosene. Preliminary investigations showed that only Cd(II) is extracted with CYANEX 923 while Co(II) and Ni(II) are not extracted. Different parameters affecting the extraction of Cd(II) with CYANEX 923 such as hydrochloric acid, hydrogen ion, extractant and metal concentrations, temperature investigations were also investigated. The stoichiometry of the extracted metal species investigated was found to be HCdCl 3 . 2 CYANEX 923. The stripping of the extracted Cd(II) species is obtained with 0.1 M HCl solution. Co(II) was found to be extracted with CYANEX 272 at ph 5.8 leaving Ni(II) in the solution. A developed process for the sequential of Cd(II), Co(II) and Ni(II) from their mixture in hydrochloric acid medium is proposed

  11. Removal of Cu(II) and Ni(II) ions from an aqueous solution using α-Fe₂O₃nanoparticle-coated volcanic rocks.

    Science.gov (United States)

    Zhu, Xianfang; Song, Tiehong; Lv, Zhuo; Ji, Guodong

    2015-01-01

    An adsorbent, volcanic rocks coated with α-Fe₂O₃nanoparticles, was prepared and utilized for the removal of Cu(II) and Ni(II) ions from an aqueous solution. Characterization of the coated volcanic rocks indicated that the α-Fe₂O₃nanoparticles were successfully and homogeneously distributed on the volcanic rocks, including penetration into rock pores. Batch experiments were conducted to investigate adsorption performance. The adsorption behavior of both ions was found to best fit a pseudo second-order model and Langmuir isotherm. The maximum adsorption capacities of Cu(II) and Ni(II) ions were 58.14 mg g⁻¹ and 56.50 mg g⁻¹ at 293 K, respectively, and increased with rising temperature. The loaded α-Fe₂O₃nanoparticles onto volcanic rock significantly increased removal of Cu(II) and Ni(II) ions. The adsorption process was combined control of film diffusion and intra-particle diffusion. Adsorption thermodynamics indicated the adsorption process was spontaneous and occurred mainly through chemisorption. The results confirmed that the volcanic rocks coated with α-Fe₂O₃nanoparticles acted as a high-efficiency and low-cost absorbent, and effectively removed Cu(II) and Ni(II) from wastewater.

  12. Solid phase extraction-inductively coupled plasma spectrometry for adsorption of Co(II) and Ni(II) from radioactive wastewaters by natural and modified zeolites

    International Nuclear Information System (INIS)

    Akbar Malekpour; Mohammad Edrisi; Shamsollah Shirzadi; Saeed Hajialigol

    2011-01-01

    Natural and modified clinoptilolite as low-cost adsorbents have been used for adsorption of Co(II) and Ni(II) from nuclear wastewaters both in batch and continuous experiments. Zeolite X was also synthesized and its ability towards the selected cations was examined. Kinetic and thermodynamic behaviors for the process were investigated and adsorption equilibrium was interpreted in term of Langmuir and Freundlich equations. The effect of various parameters including the initial concentration, temperature, ionic strength and pH of solution were examined to achieve the optimized conditions. The clinoptilolite was shown good sorption potential for Co(II) and Ni(II) ions at pH values 4-6. Based on desorption studies, nearly 74 and 85% of adsorbed Co(II) and Ni(II) were removed from clinoptilolite by HCl. The Na + and NH 4 + forms of clinoptilolite were the best modified forms for the removal of investigated cations. It is concluded that the selectivity of clinoptilolite is higher for Co(II) than Ni(II). The synthesized zeolite showed more ability to remove cobalt and nickel ions from aqueous solution than the natural clinoptilolite. The microwave irradiation was found to be more rapid and effective for ion exchange compared to conventional ion exchange process. (author)

  13. Transition metal M(II complexes with isonicotinoylhydrazone-9-anthraldehyde

    Directory of Open Access Journals (Sweden)

    Dianu M.L.

    2010-01-01

    Full Text Available New complexes of isonicotinoylhydrazone-9-anthraldehyde with Cu(II, Co(II and Ni(II have been prepared and characterized by analytical and physico-chemical techniques, such as elemental and thermal analyses, magnetic susceptibility and conductivity measurements, and electronic, EPR and IR spectral studies. The infrared spectral studies revealed the bidentate or monodentate nature of the Schiff base in the complexes; the pyridine nitrogen does not participate in the coordination. A tetrahedral geometry is suggested for the nitrate-complexes and an octahedral geometry for the others. Thermal studies support the chemical formulation of these complexes.

  14. Syntheses and Characterization of Some Tetradentate Schiff-Base Complexes and Their Heteroleptic Analogues

    Directory of Open Access Journals (Sweden)

    A. A. Osowole

    2008-01-01

    Full Text Available VO(IV, Ni(II and Cu(II complexes of the asymmetric Schiff base [(HOC6H3(OCH3C(C6H5:N(CH2CH2N:C(CH3CH:C(C6H5OH], and their heteroleptic analogues with triphenyl phosphine and 2,2’-bipyridine have been synthesized and characterized by elemental analyses, conductance, magnetic, infrared and electronic spectral measurements. The ligand is tetradentate coordinating via the imine N and enolic O atoms. The Ni(II and Cu(II complexes adopt a four coordinate square planar geometry, the VO(IV complex is five coordinate square-pyramidal and the heteroleptic complexes are 6-coordinate, octahedral. The assignment of geometry is collaborated by magnetic moments and electronic spectra measurements. The compounds are non-electrolyte in nitromethane and are magnetically dilute.

  15. Design and synthesis of novel complexes containing N-phenyl-1H-pyrazole moiety: Ni complex as potential antifungal and antiproliferative compound

    Science.gov (United States)

    El-Gamel, Nadia E. A.; Farghaly, Thoraya A.

    2013-11-01

    Cu(II) (1), Ni(II) (2), Cr(III) (3) and Fe(III) (4) complexes with 3-acetyl-4-benzoyl-1-phenyl-1H-pyrazole (L1) were prepared and structurally characterized. Usual coordination of L1 was achieved through nitrogen of pyrazole moiety and carbonyl acetyl group. Electronic spectra of the complexes indicate that the geometry of the metal center was six coordinate octahedral. In vitro antimicrobial activity of the ligand and complex compounds was screened in terms of antibacterial effect on Staphylococcus aureus (Gram-positive), Escherichia coli (Gram-negative) and antifungal effect on the fungi Aspergillus flavus and candida albicans using the modified Kirby-Bauer disc diffusion and minimum inhibitory concentrations (MIC) methods. Ni(II) complex (2) exhibited remarkable antifungal inhibition against Candida albicans equal to the standard antifungal agent. To continue our study some structural modifications are formed by adding 4-fluoro-benzoyl moiety to L1 in different forms to produce different ligands, 3-acetyl-4-(4-flourobenzoyl)-1-phenyl-1H-pyrazole (L2) and 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-phenyl-4-(4-flourobenzoyl)-1H-pyrazole (L3), Ni complexes (5 and 6) are prepared and comparable in vitro antimicrobial study is evaluated. In vitro cytotoxicity of the Ni(II) complex (2) is studied using MTT assay. The analysis of the cell test showed that (2) displayed quite small cytotoxic response at the higher concentration level which indeed would further enable us for more opportunities in therapeutic and biomedical challenges. Both of the capability as a potent in vitro antifungal agent and the cell test analysis show Ni(II) complex (2) as a promising material in the translation of observed in vitro biological phenomenon into clinical therapies settings.

  16. Carbene complexes of zirconium. Synthesis, structure, and reactivity with carbon monoxide to affort coordinated ketene

    International Nuclear Information System (INIS)

    Barger, P.T.; Santarsiero, B.D.; Armantrout, J.; Bercaw, J.E.

    1984-01-01

    Treatment of Cp 2 Zr(L)(CO) (Cp = C 5 H 5 ; L = PMe 3 , CO) with Cp* 2 ZrH 2 (Cp* = C 5 Me 5 ) affords zirconium oxycarbene complexes, Cp 2 (L)Zr double bond CHO single bond Zr(X)Cp* 2 (L = PMe 3 , X = H, I; L = CO, X = H), that represent some of the first examples of group 4 metal-to-carbon multiple bonding. The first X-ray diffraction structure determination of a zirconium carbene complex, that of Cp(PMe 3 )Zr double bond CHO single bond Zr(H)Cp* 2 .C 6 H 6 , is reported (C2/c, a = 27.318 (4) A, b = 19.895 (3) A, c = 19.932 (5) A β = 132.188 (10) 0 , Z = 8) and shows a very short Zr-C bond length of 2.117 (7) A. Treatment of Cp 2 (CO)Zr double bond CHO single bond Zr(H)Cp* 2 with CH 3 I or Cp 2 (PMe 3 )Zr double bond CHO single bond Zr(I)Cp* 2 with CO affords the zirconium substituted enediolate zirconacycle, Cp* 2 ZrOCH double bond C(Zr(I)Cp 2 )O, which has been characterized by an X-ray diffraction study (P2 1 /c, a = 15.866 (4) A, b = 10.673 (3) A, c = 20.561 (4) A, β = 105.5 (2) 0 , Z = 4). This complex most likely forms by coupling of the zirconoxycarbene and a carbonyl to give a metal-coordinated ketene intermediate that subsequently rearranges to the isolated product. An isotopic crossover experiment has demonstrated that the new carbon-carbon bond is formed in an intramolecular coupling step. The ketene intermediate can be trapped by dissolving Cp 2 (CO)Zr double bond CHO single bond Zr(H)Cp* 2 in pyridine, giving Cp 2 (py)Zr(O double bond C double bond CHOZr(I)Cp* 2 ). Treatment of the isolated ketene complex with CH 3 I in benzene gives the enediolate zirconocycle; in pyridine Cp 2 (py)Zr(O double bond C double bond CHOZr(I)Cp* 2 ) can be observed spectroscopically. 38 references, 4 figures, 5 tables

  17. Synthesis, characterization, and reactivity of pentamethylcyclopentadienyl complexes of divalent cobalt and nickel

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Michael Edward [Univ. of California, Berkeley, CA (United States)

    1993-10-01

    The thesis is divided into the following 4 chapters: synthesis, characterization, and reactivity of trinuclear pentamethylcyclopentadienyl cobalt and nickel clusters with triply-bridging methylidyne groups; chemical and physical properties of pentamethylcyclopentadienyl acetylacetonate complexes of Co(II) and Ni(II); synthesis, characterization, and reactivity of pentamethylcyclopentadienyl halide complexes of Co and Ni; and crystallographic studies of distortions in metallocenes with C5-symmetrical cyclopentadienyl rings.

  18. Control over Dimensionality and Magnetic Properties in Metal Complexes formed with Substituted Salicyl Ligands

    OpenAIRE

    Mukherjee, Sudarshana

    2008-01-01

    The goal was to design and synthesise molecule-based materials, and characterise their magnetic behaviour. Homometallic mixed-valence manganese and heterometallic Fe-Ln coordination polymers, and discrete oligomeric complexes of Mn, Cu and Fe from substituted salicylic acids are presented. Detailed NMR studies of the synthesised Schiff base ligands and a comparision of the structure and properties of the resulting Mn(II) and Ni(II) complexes are also shown.

  19. Metallic complexes with glyphosate: a review; Complexos metalicos com o herbicida glifosato: revisao

    Energy Technology Data Exchange (ETDEWEB)

    Coutinho, Claudia F.B.; Mazo, Luiz Henrique [Sao Paulo Univ., Sao Carlos, SP (Brazil). Inst. de Quimica]. E-mail: claudiabreda@iqsc.usp.br

    2005-11-15

    We present studies involving metallic ions and the herbicide glyphosate. The metallic complexes of Cu(II), Zn(II), Mn(II), Ni(II), Cd(II), Pb(II), Cr(III), Fe(III), Co(III), ammonium, sodium, Ag(I), alkaline earth metals and of some lanthanides ions are described. The complexes are discussed in terms of their synthesis, identification, stability and structural properties, based on data from the current literature. (author)

  20. Formation of binary complexes of Co(II), Ni(II) and Cu(II) with L ...

    African Journals Online (AJOL)

    The trend in the variation of stability constants with change in the mole fraction of the medium was explained based on electrostatic and non-electrostatic forces. Distribution of the species with pH at different compositions of dioxan-water mixtures was also presented. KEY WORDS: Binary species, Stability constants, Metal, ...

  1. Preparation and Reactions of the 1,1-Dithiolato Complexes of Ni(II). An Undergraduate Coordination Chemistry Experiment.

    Science.gov (United States)

    Ballester, L.; Perpinan, M. F.

    1988-01-01

    Described is an undergraduate coordination chemistry experiment that enables students to relate concepts developed in class about the stereochemistry and coordination numbers to the interpretation of the electronic and infrared spectra and their magnetic behavior. Indicates that thermal decomposition and x-ray diffraction studies can also be…

  2. [1,10]PHENANTHROLINE AND ITS Co(II), Ni(II

    African Journals Online (AJOL)

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    KEY WORDS: 1,10-Phenanthroline, Imidazole, Cobalt complex, Nickel complex, Copper complex,. Antibacterial activity. INTRODUCTION. Metal complexes containing diimine ligands such as 1,10-phenanthroline and its derivatives have gained importance because of their versatile roles as building blocks for the synthesis ...

  3. Cobalt(II), nickel(II), copper(II), zinc(II), cadmium(II) and dioxouranium(II) complexes of thiophene-2-aldehyde-4-phenyl-thiosemicarbazone

    International Nuclear Information System (INIS)

    Singh, Balwan; Misra, Harihar

    1986-01-01

    The present paper describes the synthesis and characterisation of thiophene-2-aldehyde-4-phenylthiosemicarbazone (TAPTSC) and its metal complexes with Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and UO(II). (author). 30 refs., 1 table

  4. Adsorption of Ni(II, Cu(II and Fe(III from Aqueous Solutions Using Activated Carbon

    Directory of Open Access Journals (Sweden)

    A. Edwin Vasu

    2008-01-01

    Full Text Available An activated carbon was tested for its ability to remove transition metal ions from aqueous solutions. Physical, Chemical and liquid-phase adsorption characterizations of the carbon were done following standard procedures. Studies on the removal of Ni(II, Cu(II and Fe(III ions were attempted by varying adsorbate dose, pH of the metal ion solution and time in batch mode. The equilibrium adsorption data were fitted with Freundlich, Langmuir and Redlich-Peterson isotherms and the isotherm constants were evaluated. Time variation studies indicate that adsorptions follow pseudo-second order kinetics. pH was found to have a significant role to play in the adsorption. The processes were endothermic and the thermodynamic parameters were evaluated. Desorption studies indicate that ion-exchange mechanism is operating.

  5. Preliminary screening of Ni(II metal tolerance and dye-decolorizing by Nocardiopsis sp. SD8

    Directory of Open Access Journals (Sweden)

    Ramasamy Thangaraj

    2016-04-01

    Full Text Available Objective: To reveal the screening of metal tolerance and dye-decolorizing of Nocardiopsis sp. Methods: NiSO4 and Congo red dye were used for evaluating the metal tolerance and dyedecolorizing of the randomly selected actinobacterial isolates. Results: Nocardiopsis sp. SD8 showed a better efficiency in Ni(II tolerance, though a longer lag phase was observed for this microorganism grown for 7 days in integrated mismatch negativity. Interestingly, we also found that Nocardiopsis sp. SD8 had dye-decolorizing, hemolytic, lipase and protease activity. Conclusions: The present results revealed the bioremediation of metal resistant and diverse properties of Nocardiopsis sp. SD8 and further investigations are needed to extract and identify the potent molecule.

  6. Synthesis, characterization and antibacterial activity of new sulfonyl hydrazone derivatives and their nickel(II) complexes

    Science.gov (United States)

    Özmen, Ümmühan Özdemir; Olgun, Gülçin

    2008-08-01

    Prophane sulfonic acid hydrazide (psh: CH 3CH 2CH 2SO 2NHNH 2) derivatives as salicylaldehydeprophanesulfonylhydrazone (salpsh), 5-methylsalicylaldehydeprophanesulfonylhydrazone (5-msalpsh), 2-hydroxyacetophenoneprophanesulfonylhydrazone (afpsh), 5-methyl-2-hydroxyacetophenoneprophanesulfonylhydrazone (5-mafpsh) and their Ni(II) complexes have been synthesized. The structure of these compounds has been investigated by using elemental analysis, FTIR, 1H NMR, LC/MS, UV-vis spectrophotometric method, magnetic susceptibility and conductivity measurements. The complexes were found to have general compositions [NiL2]. Square-planer structures are proposed for the Ni(II) complexes on the basis of magnetic evidence, electronic spectra and TGA data. Bacterial activities of sulfonyl hydrazone compounds were studied against gram-positive bacteria: Staphylococcus aureus, Bacillus subtilis, Bacillus magaterium and gram-negative bacteria: Salmonella enteritidis, Escherichia coli by using minimum inhibitory concentrations (MICs) method.

  7. Removal of Ni(II from aqueous solution using leaf, bark and seed of Moringa stenopetala adsorbents

    Directory of Open Access Journals (Sweden)

    A. A. Mengistie

    2013-04-01

    Full Text Available The present study investigates the possibility of using leaf, bark and seed of Moringa stenopetala as alternative adsorbents for removal of Ni(II from aqueous solutions. The optimum adsorption conditions for removal of Ni(II were found to be 30, 20 and 50 mg/L initial concentration, 1.5, 2 and 2.5 g adsorbent dose, 250, 250 and 300 rpm agitation speed, 90, 120 and 90 min contact time, 40, 30 and 23 oC temperature and pH of 5, 6 and 6 using leaf, bark and seed as adsorbent, respectively. At optimum experimental conditions the percent adsorption of synthetic wastewater sample was found to be 93.90, 96.25 and 97.50 for leaf, bark and seed, respectively. The tested experimental data best fits to pseudo-second order (R2 > 0.98 than pseudo-first order, Elovich and intraparticle diffusion kinetic models indicating rate limiting step to be chemisorption. It also fits to Langmuir (R2 > 0.895 using adsorbate variation and also R2 > 0.998 using both time and temperature variation data than Freundlich, Temkin and D-R isotherm models. D-R isotherm and thermodynamic study reveals formation of physical adsorption. Hence the adsorption mechanism could be regarded as physico-chemical adsorption process. The adsorption results of industrial wastewater also reveal that for removal of nickel 83% and 85% was obtained using bark and seed adsorbents, respectively. The new method of adsorption developed in this study is cheap, fast and environmental friendly.DOI: http://dx.doi.org/10.4314/bcse.v27i1.4

  8. Structural and biological evaluation of some metal complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone

    Science.gov (United States)

    Yousef, T. A.; Abu El-Reash, G. M.; Al-Jahdali, M.; El-Rakhawy, El-Bastawesy R.

    2013-12-01

    The synthesis and characterization of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II) and U(VI)O2 complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone (H2PVT) are reported. Theoretical calculations have been performed to obtain IR spectra of ligand and its complexes using AM1, Zindo/1, MM+ and PM3, methods. The Schiff base and its metal complexes have been screened for antibacterial Pseudomonas aeruginosa, Escherichia coli, Bacillus subtilis and Staphylococcus saprophyticus. H2VPT shows no apparent digestion effect on the egg albumin while Mn(II), Hg(II) and Cu(II) complexes exhibited a considerable digestion effect following the order Cu(II) > Mn(II) > Hg(II). Moreover, Ni(II) and Co(II) complexes revealed strong digestion effect. Fe(II), Mn(II), Cu(II), Zn(II) and Ni(II) acted as metal co- SOD enzyme factors, which are located in different compartments of the cell.

  9. Glutamate Ligation in the Ni(II)- and Co(II)-Responsive Escherichia coli Transcriptional Regulator, RcnR

    Energy Technology Data Exchange (ETDEWEB)

    Carr, Carolyn E. [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, United States; Musiani, Francesco [Laboratory; Huang, Hsin-Ting [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, United States; Chivers, Peter T. [Departments of Biosciences and Chemistry, Durham University, Durham DH1 3LE, United Kingdom; Ciurli, Stefano [Laboratory; Maroney, Michael J. [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, United States

    2017-05-18

    Escherichia coli RcnR (resistance to cobalt and nickel regulator, EcRcnR) is a metal-responsive repressor of the genes encoding the Ni(II) and Co(II) exporter proteins RcnAB by binding to PRcnAB. The DNA binding affinity is weakened when the cognate ions Ni(II) and Co(II) bind to EcRcnR in a six-coordinate site that features a (N/O)5S ligand donor-atom set in distinct sites: while both metal ions are bound by the N terminus, Cys35, and His64, Co(II) is additionally bound by His3. On the other hand, the noncognate Zn(II) and Cu(I) ions feature a lower coordination number, have a solvent-accessible binding site, and coordinate protein ligands that do not include the N-terminal amine. A molecular model of apo-EcRcnR suggested potential roles for Glu34 and Glu63 in binding Ni(II) and Co(II) to EcRcnR. The roles of Glu34 and Glu63 in metal binding, metal selectivity, and function were therefore investigated using a structure/function approach. X-ray absorption spectroscopy was used to assess the structural changes in the Ni(II), Co(II), and Zn(II) binding sites of Glu → Ala and Glu → Cys variants at both positions. The effect of these structural alterations on the regulation of PrcnA by EcRcnR in response to metal binding was explored using LacZ reporter assays. These combined studies indicate that while Glu63 is a ligand for both metal ions, Glu34 is a ligand for Co(II) but possibly not for Ni(II). The Glu34 variants affect the structure of the cognate metal sites, but they have no effect on the transcriptional response. In contrast, the Glu63 variants affect both the structure and transcriptional response, although they do not completely abolish the function of EcRcnR. The structure of the Zn(II) site is not significantly perturbed by any of the glutamic acid variations. The spectroscopic and functional data obtained on the mutants were used to calculate models of the metal-site structures of EcRcnR bound to Ni(II), Co(II), and Zn(II). The results are interpreted

  10. Indolenine meso-substituted dibenzotetraaza[14]annulene and its coordination chemistry toward the transition metal ions Mn(III), Fe(III), Co(II), Ni(II), Cu(II), and Pd(II).

    Science.gov (United States)

    Khaledi, Hamid; Olmstead, Marilyn M; Ali, Hapipah Mohd; Thomas, Noel F

    2013-02-18

    A new dibenzotetraaza[14]annulene bearing two 3,3-dimethylindolenine fragments at the meso positions (LH(2)), has been synthesized through a nontemplate method. X-ray crystallography shows that the whole molecule is planar. The basicity of the indolenine ring permits the macrocycle to be protonated external to the core and form LH(4)(2+)·2Cl(-). Yet another structural modification having strong C-H···π interactions was found in the chloroform solvate of LH(2). The latter two modifications are accompanied by a degree of nonplanar distortion. The antiaromatic core of the macrocycle can accommodate a number of metal ions, Mn(III), Fe(III), Co(II), Ni(II) and Cu(II), to form complexes of [Mn(L)Br], [Mn(L)Cl], [Fe(LH(2))Cl(2)](+)·Cl(-), [Co(L)], [Ni(L)], and [Cu(L)]. In addition, the reaction of LH(2) with the larger Pd(II) ion leads to the formation of [Pd(2)(LH(2))(2)(OAc)(4)] wherein the macrocycle acts as a semiflexible ditopic ligand to coordinate pairs of metal ions via its indolenine N atoms into dinuclear metallocycles. The compounds LH(2), [Co(L)], and [Ni(L)] are isostructural and feature close π-stacking as well as linear chain arrangements in the case of the metal complexes. Variable temperature magnetic susceptibility measurements showed thermally induced paramagnetism in [Ni(L)].

  11. Importance of reduced sulfur for the equilibrium chemistry and kinetics of Fe(II), Co(II) and Ni(II) supplemented to semi-continuous stirred tank biogas reactors fed with stillage.

    Science.gov (United States)

    Shakeri Yekta, Sepehr; Lindmark, Amanda; Skyllberg, Ulf; Danielsson, Asa; Svensson, Bo H

    2014-03-30

    The objective of the present study was to assess major chemical reactions and chemical forms contributing to solubility and speciation of Fe(II), Co(II), and Ni(II) during anaerobic digestion of sulfur (S)-rich stillage in semi-continuous stirred tank biogas reactors (SCSTR). These metals are essential supplements for efficient and stable performance of stillage-fed SCSTR. In particular, the influence of reduced inorganic and organic S species on kinetics and thermodynamics of the metals and their partitioning between aqueous and solid phases were investigated. Solid phase S speciation was determined by use of S K-edge X-ray absorption near-edge spectroscopy. Results demonstrated that the solubility and speciation of supplemented Fe were controlled by precipitation of FeS(s) and formation of the aqueous complexes of Fe-sulfide and Fe-thiol. The relatively high solubility of Co (∼ 20% of total Co content) was attributed to the formation of compounds other than Co-sulfide and Co-thiol, presumably of microbial origin. Nickel had lower solubility than Co and its speciation was regulated by interactions with FeS(s) (e.g. co-precipitation, adsorption, and ion substitution) in addition to precipitation/dissolution of discrete NiS(s) phase and formation of aqueous Ni-sulfide complexes. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Synthesis, experimental and theoretical characterizations of a new Schiff base derived from 2-pyridincarboxaldehyde and its Ni (II) complex

    Science.gov (United States)

    Habibi, Mohammad; Beyramabadi, S. Ali; Allameh, Sadegh; Khashi, Maryam; Morsali, Ali; Pordel, Mehdi; Khorsandi-Chenarboo, Mahdi

    2017-09-01

    In this work, a tridentate Schiff base of 2-pyridinecarboxaldehyde and its Ni(II) complex have been newly synthesized and characterized by the IR and NMR spectroscopies together with the elemental analysis. In addition, optimized geometries, the Natural Bond Orbital (NBO) analyses, assignment of the IR bands and NMR chemical shifts of the synthesized compounds were computed by using density functional theory (DFT) methods. In the optimized geometry of the free ligand, the aromatic rings are not in the same plane. But, the Ni complex is square planar, where the deprotonated Schiff base acts as a N3-tridentate ligand. The chloro ligand occupies another coordination position of the complex. The DFT-calculated vibrational wavenumbers and NMR chemical shifts are in agreement with the experimental values, confirming suitability of the optimized geometries for the Schiff base and Ni(II) complex.

  13. Preparation and Characterization of Poly(ethyl hydrazide Grafted Oil Palm Empty Fruit Bunch for Removal of Ni(II Ion in Aqueous Environment

    Directory of Open Access Journals (Sweden)

    Siti Mariam Mohd Nor

    2013-07-01

    Full Text Available Poly(ethyl hydrazide grafted oil palm empty fruit bunch (peh-g-opefb fiber has been successfully prepared by heating poly(methylacrylate-g-opefb at 60 °C for 4 h in a solution of hydrazine hydrate in ethanol. The chelating ability of peh-g-opefb was evaluated based on removal of Ni(II ions in aqueous solution. Adsorption of Ni(II by peh-g-opefb was characterized based on effect of pH, isotherm, kinetic and thermodynamic study. This cheap sorbent based on oil palm empty fruit bunch fiber has a great future potential in water treatment industries based on high adsorption capacity, biodegradability and renewability.

  14. Synthesis and Characterization of Some Macrocylic Complexes Incorporating Indole and 2,2'-Bipyridine or 1,10-Phenanthroline

    Directory of Open Access Journals (Sweden)

    Muhammad S. Khan

    2015-06-01

    Full Text Available Complexes of anionic pentadentate macrocyclic ligands by the template condensation of bis(hydrazino2,2'-bipyridine or 1,10-phenanthroline with an indoledialdehyde have been synthesized. The new Mn(II, Fe(II, Co(II, Ni(II, Cu(II and Zn(II macrocyclic complexes have been characterized by analytical and spectroscopic techniques and by conductivity and magnetic susceptibility measurements.

  15. Ni(II) and Cu(II) removal from aqueous solution by a heavy metal-resistance bacterium: kinetic, isotherm and mechanism studies.

    Science.gov (United States)

    Zhang, Haikun; Hu, Xiaoke; Lu, Hong

    2017-08-01

    The potentiality of a heavy metal-resistance bacterium Acinetobacter sp. HK-1 for removing Ni(II) and Cu(II) ions from aqueous solution and the biosorption mechanism were investigated in this study. The effects of pH, contact time and Ni(II)/Cu(II) concentration on the adsorption process were evaluated and the maximum biosorption capacity of strain HK-1 was found to be 56.65 mg/g for Ni(II) and 157.2 mg/g for Cu(II), respectively. The experimental kinetic data fit well with the pseudo-second-order model (R 2 > 0.98) and the biosorption process was best explained by the Langmuir-Freundlich dual model (R 2 > 0.97). The morphologies of HK-1 before and after adsorption in a Ni(II)/Cu(II) supplemented system were compared using a scanning electron microscope. After adsorption, the valence state of Ni(II)/Cu(II) was not changed and the formation of nickel/copper phosphate was observed using X-ray photoelectron spectroscopy (XPS) and X-ray diffraction. The results of Fourier transform infrared spectroscopy and XPS further indicated that amine, phosphate and carboxyl groups were involved in the biosorption process. Cu(II) biosorption by Acinetobacter sp. was firstly reported. Based on the above results, it can be concluded that Acinetobacter sp. HK-1 has a promising application in Ni(II) and Cu(II) ion removal from industrial wastewater.

  16. A Paper-Based Analytical Device Based on Combination of Thin Film Microextraction and Reflection Scanometry for Sensitive Colorimetric Determination of Ni(II) in Aqueous Matrix.

    Science.gov (United States)

    Allafchian, Ali Reza; Farajmand, Bahman; Koupaei, Amin Javaheri

    2018-02-19

    In this research, the thin film microextraction method was applied for the extraction of Ni(II) ion from aqueous matrixes. Chemically modified cellulosic filter paper with phosphorus was used as a thin film extractor. After extraction, the thin film was treated with a solution of dimethylglyoxime. The colored film was captured by flatbed scanner and the absorbance of the images was extracted by some suitable software. Under the optimum conditions and at the pH 7.0, with the sample volume of 100 mL, the stirring rate of 800 rpm, and the extraction time of 50 min, the calibration curve was obtained in the range of 0.05-5 mg/L Ni(II) (R 2  = 0.989). Limit and relative standard deviation were achieved to be 18 µg/L and less than 6.7%, respectively. Relative recoveries were obtained in the range of 87%-105%. Finally, the proposed method was found to be simple and cost-effective, with adequate analytical performance for the rapid detection of Ni(II) in river and wastewater samples.

  17. Biomass assisted synthesis of alumina by Gardenia Jasminoides Ellis and their application for removal of Ni(II) from aqueous solution

    International Nuclear Information System (INIS)

    Zheng, Nan; Zhao, Yusheng; Song, Qianqian; Jia, Lishan; Fang, Weiping

    2013-01-01

    Highlights: • A simple process has been proposed to synthesis alumina using biomass. • The absorbent with biomass is highly effective for the adsorption of Ni 2+ . • Three adsorption–desorption cycles showed that the adsorbent was basically stable. -- Abstract: A simple and novel process has been proposed to synthesize alumina using gardenia extract and aluminum salts in an aqueous solution. The alumina sample notated as “bio-Al 2 O 3 ” was characterized by X-ray diffraction (XRD) and nitrogen adsorption–desorption experiment. The results indicated that the existence of the gardenia biomass enlarged the surface area of alumina and reached 256 m 2 /g. The thermo gravimetric (TG), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared (FTIR) results showed that gardenia biomass bound to the surface of the alumina has substantially improved the adsorption capacity of Ni(II) and the adsorption behavior of nickel ion was related to the biomass functional groups. The results of three adsorption–desorption cycles showed that the bio-Al 2 O 3 using as the adsorbent for Ni(II) was relatively stable. The kinetic of the Ni(II) adsorption by the bio-Al 2 O 3 followed pseudo-second-order equation. Langmuir and Freundlich isotherm models were applied to analyze the experimental data and the result demonstrated that the adsorption isotherms followed Langmuir isotherm model

  18. Synthesis, spectral characterization, computational calculations and biological activity of complexes designed from NNO donor Schiff-base ligand

    Science.gov (United States)

    El-Gammal, Ola A.; El-Reash, G. M. Abu; Yousef, T. A.; Mefreh, M.

    2015-07-01

    A new series of Co(II), Ni(II) and Cu(II) complexes of (Z)-2-oxo-2-(phenylamino)-N‧-(1-(pyridin-2-yl)ethylidene)acetohydrazide (H2OPPAH) have been prepared and characterized by conventional techniques. The spectral data indicated that the ligand acts as neutral or mononegative NNO tridentate. On the basis of magnetic and electronic spectral data an octahedral geometry for Ni(II) and Cu(II) complexes and a tetrahedral geometry for Co(II) complex have been proposed. The molecular modeling using DFT method are drawn showing the bond length, bond angle, chemical reactivity, energy components (kcal/mol) and binding energy (kcal/mol) for all title compounds. The Kinetic parameters were determined for each thermal degradation stages of the ligand and its complexes using Coats-Redfern and Horowitz-Metzger methods. Also, the compounds were screened for antioxidant activity using ABTS free radical, anti-hemolytic, and in vitro cytotoxic assay. H2OPPAH showed the potent antioxidant activity followed by Co(II) and Cu(II) complexes. On the other hand Ni(II) complex exhibited weak antioxidant activity using ABTS free radical and Erlich and strong erythrocyte hemolysis activity.

  19. Spectroscopic characterization of chromium(III), manganese(II) and nickel(II) complexes with a nitrogen donor tetradentate, 12-membered azamacrocyclic ligand

    Science.gov (United States)

    Chandra, Sulekh; Pundir, Meenakshi

    2008-01-01

    The complexes of Cr(III), Mn(II) and Ni(II) were synthesized with macrocyclic ligand i.e. 5,11-dimethyl-6,12-diethyl-dione-1,2,4,7,9,10-hexazacyclododeca -1,4,6,10-tetraene. The ligand (L) was prepared by [2 + 2] condensation reaction of 2,3-pentanedione and semicarbazide hydrochloride. These complexes were found to have the general composition [Cr(L)X 2]X and [M(L)X 2] (where M = Mn(II) and Ni(II); X = Cl -, NO 3-, (1/2)SO 42-, NCS - and L = ligand [N 6]). The ligand and its transition metal complexes were characterized by the elemental analysis, molar conductance, magnetic susceptibility, mass, IR, electronic and EPR spectral studies. On the basis of IR, electronic and EPR spectral studies, an octahedral geometry has been assigned for these complexes except sulphato complexes which are of five coordinated geometry.

  20. Transition metal complexes of 5-bromosalicylidene-4-amino-3-mercapto-1,2,4-triazine-5-one: Synthesis, characterization, catalytic and antibacterial studies

    Directory of Open Access Journals (Sweden)

    AYALOOR SUBRAMANIAN RAMASUBRAMANIAN

    2011-01-01

    Full Text Available Transition metal complexes of 5-bromosalicylidene-4-amino-3-mercapto-1,2,4-triazine-5-one with metal precursors, such as Cu(II, Ni(II, Co(II and Pd(II, were synthesized and characterized by physico–chemical and spectroscopic techniques. All the complexes are of the ML type. Based on analytical, spectral data and magnetic moments, the Co(II and Ni(II complexes were assigned octahedral geometries, while the Cu (II and Pd(II complexes square planar. A study on the catalytic oxidation of benzyl alcohol, cyclohexanol, cinnamyl alcohol, 2-propanol and 2-methyl-1-propanol was performed with N-methylmorpholine-N-oxide (NMO as co-oxidant. All the complexes and their parent organic moiety were screened for their biological activity on several pathogenic bacteria and were found to possess appreciable bactericidal properties.

  1. Synthesis, magnetic and spectroscopic studies of Ni(II), Cu(II), Zn(II ...

    African Journals Online (AJOL)

    trihydroxybenzohydrazide) was prepared by refluxing of trihydroxybenzhydrazide with an ethanolic of 5-bromo-2-hydroxybenzaldehyde. The ligand ... KEY WORDS: Hydrazone complexes, Schiff base ligand, Spectral studies. Bull. Chem. Soc.

  2. Modelling of the Ni(II) removal from aqueous solutions onto grape stalk wastes in fixed-bed column.

    Science.gov (United States)

    Valderrama, César; Arévalo, Jaime A; Casas, Ignasi; Martínez, María; Miralles, Nuria; Florido, Antonio

    2010-02-15

    Grape stalk wastes generated in the wine production process were used for the removal of nickel (II) from aqueous solution. The experimental breakthrough curves were obtained in fixed-bed columns. Experiments we carry out in order to evaluate the influence of inlet metal concentration (30 and 70 mg L(-1)) and the regeneration process in a double sorption cycle. The CXTFIT code was used to fit the experimental data and to determine the transport and sorption parameters of the convective-dispersive equation (CDE) and the two-site deterministic non-equilibrium (TSM/CDE) model by adjusting the models to the experimental breakthrough curves (BTC). The results showed that bed capacity as well as transport and sorption parameters were affected by the initial metal concentration, at the highest Ni(II) concentration the grape stalks column saturated quickly leading to earlier breakthrough. The sorption capacity of the sorbent was slightly reduced in a double sorption cycle, while the recovery of the metal in the desorption step was ranging between 80% and 85% in both cycles.

  3. Phosphonate Modified Silica for Adsorption of Co(II, Ni(II, Cu(II, and Zn(II

    Directory of Open Access Journals (Sweden)

    Dian Maruto Widjonarko

    2014-07-01

    Full Text Available A new phosphonate modified silica (PMS has been investigated for adsorption of Co(II, Ni(II, Cu(II, and Zn(II in aqueous solution. The adsorbent was modified of silica by immobilizing aminoethyl dihydrogen phosphate (AEPH2 on 1,4-dibromobutane grafted silica. The physicochemical of the adsorbent was investigated using Fourier Transform Infra-red (FTIR spectroscopy, X-ray Fluorescence (XRF, and N2 gas adsorption/desorption. The adsorption study was carried out in a batch system by mixing solution of metal ions at various pHs, contact times, and initial metal ion concentrations. The unadsorbed metals were determined by Flame Atomic Absorption Spectrophotometry (FAAS. Result of characterization showed that PMS has been successfully prepared. The product contained 45.99% (w/w silica and 1.33% (w/w phosphorous with surface area, pore volume, and pore size of 115.3 m2g-1; 0.7578 mLg-1; and 131.44 Å, respectively. Adsorption of metal ions on PMS occurred quite fast, less than 30 min. Modification of phosphonate on silica increased the adsorption capability, up to 8 times higher than that of unmodified silica, depending on metal ion type and pH solution. The capacity order of the metals adsorption was Cu(II>Co(II>Ni(II>Zn(II. Based on the adsorption characteristic, the adsorbent is promising to be applied as a material for solid phase extraction of transition metal ions.

  4. Flexible porous coordination polymer of Ni(II) for developing nanoparticles through acid formation and redox activity of the framework

    Science.gov (United States)

    Agarwal, Rashmi A.

    2017-10-01

    Immobilization of the nanoparticles (NPs) in a two dimensional porous coordination polymer (PCP) is currently an emerging field for a number of applications. But still it is a great challenge to fabricate any specified metal NPs in a single network. Herein the synthesis of Au, Pd, Mn, Fe, Cu, Zn, Mg, Li, Fe/Cu, Zn/Mg etc, NPs in a highly flexible PCP of Ni(II); {[Ni3(TBIB)2(BTC)2(H2O)6]·5C2H5OH·9H2O}n [TBIB = 1,3,5-tri(1H-benzo[d]imidazol-1-yl)benzene, H3BTC = 1,3,5-benzenetricarboxylic acid] have been reported. This universal host is able to grow mixed metal NPs from mixed metal precursors. Monodentate carboxylate groups of BTC linker act as anchoring sites for the metal ions of the metal precursors. This is the main driving force to grow NPs within the cavities along with the high flexibility of this polymer at room temperature. Mechanism involves acid formation followed by redox reaction to synthesize metal NPs explained by EPR and FTIR. Paramagnetic properties have been shown by as-synthesized Fe NPs integrated framework at room temperature under applied magnetic field up to 17,500 Oe.

  5. Synthesis, Physical Characterization and Biological Activity of Some Schiff Base Complexes

    Directory of Open Access Journals (Sweden)

    R. Rajavel

    2008-01-01

    Full Text Available Structural modification of organic molecule has considerable biological relevance. Further, coordination of a biomolecules to the metal ions significantly alters the effectiveness of the biomolecules. In view of the antimicrobial activity ligand [bis-(2-aminobenzaldehyde] malonoyl dihydrazone], metal complexes with Cu(II, Ni(II, Zn(II and oxovanadium(IV have been synthesized and found to be potential antimicrobial agents. An attempt is also made to correlate the biological activities with geometry of the complexes. The complexes have been characterized by elemental analysis, molar conductance, spectra and cyclicvoltammetric measurements. The structural assessment of the complexes has been carried out based on electronic, infrared and molar conductivity values.

  6. Removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution using rice husk-based activated carbon

    Energy Technology Data Exchange (ETDEWEB)

    Taha, Mohd F., E-mail: faisalt@petronas.com.my; Shaharun, Maizatul S. [Fundamental and Applied Sciences Department, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750, Perak Darul Ridzuan (Malaysia); Shuib, Anis Suhaila, E-mail: anisuha@petronas.com.my; Borhan, Azry [Chemical Engineering Department, Universiti Teknologi PETRONAS, Bandar Seri Iskandar, 31750, Perak Darul Ridzuan (Malaysia)

    2014-10-24

    An attempt was made to investigate the potential of rice husk-based activated carbon as an alternative low-cost adsorbent for the removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Rice husk-based activated carbon was prepared via treatment of rice husk with NaOH followed by the carbonization process at 400°C for 2 hours. Three samples, i.e. raw rice husk, rice husk treated with NaOH and rice husk-based activated carbon, were analyzed for their morphological characteristics using field-emission scanning electron microscope/energy dispersive X-ray (FESEM/EDX). These samples were also analyzed for their carbon, hydrogen, nitrogen, oxygen and silica contents using CHN elemental analyzer and FESEM/EDX. The porous properties of rice husk-based activated carbon were determined by Brunauer-Emmett-Teller (BET) surface area analyzer, and its surface area and pore volume were 255 m{sup 2}/g and 0.17 cm{sup 2}/g, respectively. The adsorption studies for the removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution were carried out at a fixed initial concentration of metal ion (150 ppm) with variation amount of adsorbent (rice husk-based activated carbon) as a function of varied contact time at room temperature. The concentration of each metal ion was analyzed using atomic absorption spectrophotometer (AAS). The results obtained from adsorption studies indicate the potential of rice husk as an economically promising precursor for the preparation of activated carbon for removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Isotherm and kinetic model analyses suggested that the experimental data of adsorption studies fitted well with Langmuir, Freundlich and second-order kinetic models.

  7. On the ortho-positronium quenching reactions promoted by Fe(II), Fe(III), Co(III), Ni(II), Zn(II) and Cd(II) cyanocomplexes

    Science.gov (United States)

    Fantola Lazzarini, Anna L.; Lazzarini, Ennio

    The o-Ps quenching reactions promoted in aqueous solutions by the following six cyanocomplexes: [Fe(CN) 6] 4-; [Co(CN) 6] 3-; [Zn(CN) 4] 2-; [Cd(CN) 6] 2-; [Fe(CN) 6] 3-; [Ni(CN) 4] 2- were investigated. The first four reactions probably consist in o-Ps addition across the CN bond, their rate constants at room temperature, Tr, being ⩽(0.04±0.02) × 10 9 M -1 s -1, i.e. almost at the limit of experimental errors. The rate constant of the fifth reaction, in o-Ps oxydation, at Tr is (20.3±0.4) × 10 9 M -1 s -1. The [Ni(CN) 4] 2-k value at Tr, is (0.27±0.01) × 10 9 M -1 s -1, i.e. 100 times less than the rate constants of o-Ps oxydation, but 10 times larger than those of the o-Ps addition across the CN bond. The [Ni(CN) 4] 2- reaction probably results in formation of the following positronido complex: [Ni(CN) 4Ps] 2-. However, it is worth noting that the existence of such a complex is only indirectly deduced. In fact it arises from comparison of the [Ni(CN) 4] 2- rate constant with those of the Fe(II), Zn(II), Cd(II), and Co(III) cyanocomplexes, which, like the Ni(II) cyanocomplex, do not promote o-Ps oxydation or spin exchange reactions.

  8. Synthesis, physico-chemical characterization and biological activity of 2-aminobenzimidazole complexes with different metal ions

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2004-01-01

    Full Text Available Complexes of 2-aminobenzimidazole (L with nitrates of cobalt(II nickel(II, copper (II, zinc(II and silver(I were synthesized. The molar ratio metal:ligand in the reaction of the complex formation was 1:2. It should be noticed, that the reaction of all the metal salts yielded bis(ligand complexes of the general formula M(L2(NO32 × nH2O (M=Co, Ni Cu, Zn or Ag; n=0, 1, 2 or 6. The complexes were characterized by elemental analysis of the metal, molar conductivity, magnetic susceptibility measurements and IR spectra. Co(II, Ni(II and Cu(II complexes behave as non-electrolytes, whilst Zn(II and Ag(I are 1:1 electrolytes. Cu(II complex has a square-planar stereochemistry, Ag(I complex is linear, whilst the Co(II, Ni(II and Zn(II complexes have a tetrahedral configuration. In all the complexes ligand is coordinated by participation of the pyridine nitrogen of the benzimidazole ring. The antimicrobial activity of the ligand and its complexes against Pseudomonas aeruginosa, Bacillus sp. Staphylococcus aureus and Saccharomyces cerevisiae was investigated. The effect of metal on the ligand antimicrobial activity is discussed.

  9. Kinetic study on adsorption of Cr(VI), Ni(II), Cd(II) and Pb(II) ions from aqueous solutions using activated carbon prepared from Cucumis melo peel

    Science.gov (United States)

    Manjuladevi, M.; Anitha, R.; Manonmani, S.

    2018-03-01

    The adsorption of Cr(VI), Ni(II), Cd(II) and Pb(II), ions from aqueous solutions by Cucumis melo peel-activated carbon was investigated under laboratory conditions to assess its potential in removing metal ions. The adsorption behavior of metal ions onto CMAC was analyzed with Elovich, intra-particle diffusion rate equations and pseudo-first-order model. The rate constant of Elovich and intra-particle diffusion on CMAC increased in the sequence of Cr(VI) > Ni(II) > Cd(II) > Pb(II). According to the regression coefficients, it was observed that the kinetic adsorption data can fit better by the pseudo-first-order model compared to the second-order Lagergren's model with R 2 > 0.957. The maximum adsorption of metal ions onto the CMAC was found to be 97.95% for Chromium(VI), 98.78% for Ni(II), 98.55% for Pb(II) and 97.96% for Cd(II) at CMAC dose of 250 mg. The adsorption capacities followed the sequence Ni(II) ≈ Pb(II) > Cr(VI) ≈ Cd(II) and Ni(II) > Pb(II) > Cd(II) > Cr(VI). The optimum adsorption conditions selected were adsorbent dosage of 250 mg, pH of 3.0 for Cr(VI) and 6.0 for Ni(II), Cd(II) and Pb(II), adsorption concentration of 250 mg/L and contact time of 180.

  10. SEPARATION OF Fe (III, Cr(III, Cu(II, Ni(II, Co(II, AND Pb(II METAL IONS USING POLY(EUGENYL OXYACETIC ACID AS AN ION CARRIER BY A LIQUID MEMBRANE TRANSPORT METHOD

    Directory of Open Access Journals (Sweden)

    La Harimu

    2010-06-01

    Full Text Available Fe (III, Cr(III, Cu(II, Ni(II, Co(II, and Pb(II  metal ions had been separated using poly(eugenyl oxyacetic acid as an ion carrier by bulk liquid membrane transport method. The effect of pH, polyeugenyl oxyacetic acid ion carrier concentration, nitric acid concentration in the stripping solution, transport time, and metal concentration were optimized. The result showed that the optimum condition for transport of metal ions was at pH 4 for ion Fe(III and at pH 5 for Cr(III, Cu(II, Ni(II, Co(II, and Pb(II ions. The carrier volumes were optimum with concentration of 1 x 10-3 M at 7.5 mL for Cr(III, Cu (II,  Ni(II, Co(II ions and at 8.5 mL for Fe(III and Pb(II ions. The concentration of HNO3 in stripping phase was optimum at 2 M for Fe(III and Cu(II ions, 1 M for Cr(III, Ni(II and Co(II ions, and 0.5 M for Pb(II ion. The optimum transport times were 36 h for Fe(III and Co(II ions, and 48 h for Cr(III, Cu (II, Ni(II, and Pb(II ions. The concentration of metal ions accurately transported were 2.5 x 10-4 M for Fe(III and Cr(III ions, and 1 M for Cu (II, Ni(II, Co(II, and Pb(II ions. Compared to other metal ions the transport of Fe(III was the highest with selectivity order of Fe(III > Cr(III > Pb(II > Cu(II > Ni(II > Co(II. At optimum condition, Fe(III ion was transported through the membrane at 46.46%.   Keywords: poly(eugenyl oxyacetic acid, transport, liquid membrane, Fe (III, Cr(III, Cu(II, Ni(II, Co(II, and Pb(II ions

  11. Synthesis and characterization of a tetraaza macrocyclic ligand and its cobalt(II, nickel(II and copper(II complexes

    Directory of Open Access Journals (Sweden)

    SULEKH CHANDR

    2010-07-01

    Full Text Available Co(II, Ni(II, and Cu(II complexes with a tetradentate nitrogen donor [N4] macrocyclic ligand, viz. 6,15-dimethyl-8,17diphenyl-7,16-dihydrodibenzo[b,i][1.4.8.11]tetraazacyclotetradecine, were synthesized. Their structures were determined based on elemental analyses, molar conductance and magnetic susceptibility measurements, and IR, 1H-NMR (ligand and electronic spectral studies. Based on analytical and molar conductance data, the complexes may be formulated as [M(LCl2] and [M’(L]Cl2 (where M = Co(II and Cu(II, and M’ = Ni(II due to their non-electrolytic and 1:2 electrolytic nature. Based on spectral studies, an octahedral geometry was assigned for the Co(II complex, whereas square-planar and tetragonal geometry were proposed for the Ni(II and Cu(II complexes, respectively. The synthesized ligand and its complexes were screened for fungicidal activity against two pathogenic fungi (i.e., Fusarium moniliformae and Rhizoctonia solani to assess their growth inhibiting potential.

  12. Synthesis, characterization, DFT calculations and molecular docking studies of metal (II) complexes

    Science.gov (United States)

    Ekennia, Anthony C.; Osowole, Aderoju A.; Olasunkanmi, Lukman O.; Onwudiwe, Damian C.; Olubiyi, Olujide O.; Ebenso, Eno E.

    2017-12-01

    Two novel ligands, 2-methyl-6-[(5-methyl benzothiazol-2-ylimino)-methyl]-2-methoxycyclohexa-1,5-dienol (HL1) and 2-methyl-6-[(5-floro-benzothiazol-2-ylimino)-methyl]-2-methoxycyclohexa-1,5-dienol (HL2) were synthesized from the condensation reaction of 2-hydroxy-3-methoxybenzaldehyde with 2-amino-6-methylbenzothiazole and 2-amino-6-florobenzothiazole respectively. Mononuclear Cu(II), Ni(II) and Co(II) complexes of the ligands were synthesized and characterized using elemental analysis, magnetic susceptibility, thermogravimetric, conductance, infrared and UV-visible spectroscopic measurements. The 1H NMR, 13C NMR, Dept-90 NMR spectroscopy of the ligands was also recorded to establish the formation of the Schiff bases. The analytical data of the complexes showed that the metal to ligand ratio was 1:1 for Cu(II), Ni(II) and Co(II) complexes of HL1 and Cu(II) complexes of HL2, while Ni(II) and Co(II) complexes of HL2 was 1:2. The infrared spectral data showed that the chelation behaviour of the ligands towards transition metal ions was through phenolic oxygen and azomethine nitrogen atoms. Molar conductivity revealed the non-electrolytic nature of all chelates in DMSO solution. The geometry of the complexes was deduced from thermal, magnetic susceptibility and UV-visible spectroscopic results and was further confirmed with DFT calculations. The compounds were subjected to in-vitro antibacterial screening using agar well diffusion method on some clinically isolated Gram positive and Gram negative bacteria strains. The compounds showed varied antibacterial activities. Molecular docking studies were carried out to study the molecular interaction between the compounds and different enzymes of the bacterial strains. The antioxidant potentials of the compounds were studied using ferrous ion chelating assay and 2, 2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. However, the complexes had better antioxidant potentials compared to the ligands.

  13. Structural and thermal characterization of ternary complexes of piroxicam and alanine with transition metals: Uranyl binary and ternary complexes of piroxicam. Spectroscopic characterization and properties of metal complexes

    Science.gov (United States)

    Mohamed, Gehad G.

    2005-12-01

    Ternary Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and UO 2(II) complexes with piroxicam (Pir) drug (H 2L 1) and dl-alanine (Ala) (HL 2) and also the binary UO 2(II) complex with Pir were studied. The structures of the complexes were elucidated using elemental, IR, molar conductance, magnetic moment, diffused reflectance and thermal analyses. The UO 2(II) binary complex was isolated in 1:2 ratio with the formula [UO 2(H 2L) 2](NO 3) 2. The ternary complexes were isolated in 1:1:1 (M:H 2L 1:L 2) ratios. The solid complexes were isolated in the general formulae [M(H 2L)(L 2)(Cl) n(H 2O) m]· yH 2O (M = Fe(III) ( n = 2, m = 0, y = 1), Co(II) ( n = 1, m = 1, y = 2) and Ni(II) ( n = 1, m = 1, y = 0)); [M(H 2L)(L 2)](X) z· yH 2O (M = Cu(II) (X = AcO, z = 1, y = 0), Zn(II) (X = AcO, z = 1, y = 3) and UO 2(II) (X = NO 3, z = 1, y = 2)). Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine-N and carbonyl-O groups, while Ala behaves as a uninegatively bidentate ligand coordinated to the metal ions via the deprotonated carboxylate-O and amino-N. The magnetic and reflectance spectral data show that the complexes have octahedral geometry except Cu(II) and Zn(II) complexes have tetrahedral structures. The thermal decomposition of the complexes was discussed in relation to structure, and the thermodynamic parameters of the decomposition stages were evaluated.

  14. Experimental study of mixed additive of Ni(II) and piperazine on ammonia escape in CO2 capture using ammonia solution

    International Nuclear Information System (INIS)

    Ma, Shuangchen; Chen, Gongda; Zhu, Sijie; Wen, Jiaqi; Gao, Ran; Ma, Lan; Chai, Jin

    2016-01-01

    Highlights: • Compound additive was used to obtain high CO 2 absorption efficiency and low NH 3 escape. • Both organic material and metal ion were applied as compound additive. • Influences of additives on CO 2 absorption and NH 3 escape were investigated. • Possible mechanism and products were analyzed by XRD and UV–visible spectrophotometer. - Abstract: In order to obtain high CO 2 absorption efficiency and low ammonia escape rate, mixed additives of piperazine and Ni(II) were used as absorbent in bubbling reactor. The effects of mixed additive on CO 2 absorption efficiency and ammonia escape rate were investigated; the performances of mixed additive in removal process were compared with that of pure ammonia solution. The proposed mechanism was analyzed by XRD and UV–visible spectrophotometer. The mixed additive has well effect on CO 2 absorption efficiency and ammonia escape reduction. The CO 2 absorption efficiency was 72% when 2 wt% ammonia solution mixed with 0.025 mol/L piperazine and 0.05 mol/L Ni(II), higher than that achieved by 3 wt% ammonia solution without additive, and the amount of ammonia loss was nearly 1/3 compared with 3 wt% pure ammonia solution. This paper provided one feasible method which is beneficial to the balance between CO 2 absorption and ammonia escape in CO 2 capture process.

  15. Application of Carrier Element-Free Co-precipitation Method for Ni(II), Cu(II) and Zn(II) Ions Determination in Water Samples Using Chrysin

    International Nuclear Information System (INIS)

    Layth Imad Abd Ali; Wan Aini Wan Ibrahim; Azli Sulaiman; Mohd Marsin Sanagi

    2015-01-01

    A co-precipitation method was developed to separate and pre-concentrate Ni(II), Cu(II) and Zn(II) ions using an organic co precipitant, chrysin without adding any carrier element termed as carrier element-free co-precipitation (CEFC). Analytes were determined using flame atomic absorption spectrometry (FAAS). The influence of analytical conditions, such as pH of the solution, quantity of co-precipitant, standing time, centrifugation rate and time, sample volume, and interference of concomitant ions were investigated over the recovery yields of the trace metals. The limit of detection, the limit of quantification and linearity range obtained from the FAAS measurements were found to be in the range of 0.64 to 0.86 μg L -1 , 2.13 to 2.86 μg L -1 and 0.9972 to 0.9989 for Ni(II), Cu(III) and Zn(II) ions, respectively. The precision of the method, evaluated as the relative standard deviation (RSD) obtained after analyzing a series of 10 replicates, was between 2.6 % to 3.9 % for the trace metal ions. The proposed procedure was applied and validated by analyzing river water reference material for trace metals (SLRS-5) and spiking trace metal ions in some water samples. The recoveries of the analyte metal ions were between 94.7-101.2 %. (author)

  16. Importance of nanoparticle size in colorimetric and SERS-based multimodal trace detection of Ni(II) ions with functional gold nanoparticles.

    Science.gov (United States)

    Krpetić, Zeljka; Guerrini, Luca; Larmour, Iain A; Reglinski, John; Faulds, Karen; Graham, Duncan

    2012-03-12

    Colorimetric detection of analytes using gold nanoparticles along with surface-enhanced Raman spectroscopy (SERS) are areas of intense research activity since they both offer sensing of very low concentrations of target species. Multimodal detection promotes the simultaneous detection of a sample by a combination of different techniques; consequently, surface chemistry design in the development of multimodal nanosensors is important for rapid and sensitive evaluation of the analytes by diverse analytical methods. Herein it is shown that nanoparticle size plays an important role in the design of functional nanoparticles for colorimetric and SERS-based sensing applications, allowing controlled nanoparticle assembly and tunable sensor response. The design and preparation of robust nanoparticle systems and their assembly is reported for trace detection of Ni(II) ions as a model system in an aqueous solution. The combination of covalently attached nitrilotriacetic acid moieties along with the L-carnosine dipeptide on the nanoparticle surface represents a highly sensitive platform for rapid and selective detection of Ni(II) ions. This systematic study demonstrates that significantly lower detection limits can be achieved by finely tuning the assembly of gold nanoparticles of different core sizes. The results clearly demonstrate the feasibility and usefulness of a multimodal approach. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Selective Extraction of Co(II in the Presence of Mn(II, Ni(II and Cu(II Using Salting-out Phase Separation Method

    Directory of Open Access Journals (Sweden)

    A M Shafiqul Alam

    2008-06-01

    Full Text Available Extraction of Co(II in the presence of Mn(II, Ni(II and Cu(II has been studied using the mixture of 2-propanol with water upon the addition of CaCl2 in the concentration range of 3.0 – 5.0 mol dm-3 (M. Co(II was extracted selectively to the extent of 80% into the 2-propanol phase at 5.0 M CaCl2. The percent of extraction of other transition metal ions, for example Mn(II, Ni(II and Cu(II was much lower than that of Co(II, but they were stripped in the aqueous phase upon addition of CaCl2. Therefore, selective extraction of Co(II from these metal ions was attained by using the mixture of water and 2-propanol. Co(II was extracted as CoCl42- from the aqueous phase into the 2-propanol phase through the formation of ion pair, Ca2+ - CoCl42-. A mechanism is proposed to explain the extraction.

  18. Removal, preconcentration and determination of Ni(II from different environmental samples using modified magnetite nanoparticles prior to flame atomic absorption spectrometry

    Directory of Open Access Journals (Sweden)

    Mohammad Ali Karimi

    2015-11-01

    Full Text Available In this paper, a simple, fast and reliable solid phase extraction (SPE method to determine Ni(II using dimethylglyoxim/sodium dodecyl sulfate-immobilized on alumina-coated magnetite nanoparticles (DMG/SDS-ACMNPs as a new adsorbent prior to its determination by flame atomic absorption spectrometry (FAAS is described. Under the optimal experimental conditions, the preconcentration factor, detection limit, linear range and relative standard deviation (RSD of nickel(II ions were 320 (for 800 mL of sample solution, 4.6 ng mL−1, 10.0–100.0 ng mL−1 and 1.9% (for 50.0 ng mL−1, n = 7, respectively. This method avoided the time-consuming column-passing process of loading large volume samples in traditional SPE through the rapid isolation of DMG/SDS-ACMNPs with an adscititious magnet. The proposed method was successfully applied to determine the content of Ni(II in soil, spinach, tomato, black tea, tobacco and different water samples and suitable recoveries were obtained.

  19. 2,4-Dinitrophenylhydrazine functionalized sodium dodecyl sulfate-coated magnetite nanoparticles for effective removal of Cd(II) and Ni(II) ions from water samples.

    Science.gov (United States)

    Sobhanardakani, Soheil; Zandipak, Raziyeh

    2015-07-01

    2,4-Dinitrophenylhydrazine immobilized on sodium dodecyl sulfate (SDS)-coated magnetite and was used for removal of Cd(II) and Ni(II) ions from aqueous solution. The prepared product was characterized by X-ray diffraction (XRD) analysis, Fourier transform infrared spectroscopy (FT-IR), and scanning electron microscopy (SEM). The size of the nanoparticles according to SEM was obtained around 20-35 nm. In batch tests, the effects of pH, contact time, initial metal concentration, and temperature were studied. The kinetic and equilibrium data were modeled with recently developed models. The adsorption kinetics and isotherms were well fitted by the fractal-like pseudo-second-order model and Langmuir-Freundlich model, respectively. Maximum adsorption capacity by this adsorbent is 255.1 mg g(-1) for Cd(II) ion and 319.6 mg g(-1) for Ni(II) ion at pH 7.0 and 25 °C. The method was successfully applied to the removal of metal cations in real samples (tap water, river water, and petrochemical wastewater).

  20. Adsorption of Cu(II), Cd(II) and Ni(II) ions by cross-linked magnetic chitosan-2-aminopyridine glyoxal Schiff's base.

    Science.gov (United States)

    Monier, M; Ayad, D M; Abdel-Latif, D A

    2012-06-01

    The adsorption of Cu(II), Cd(II) and Ni(II) ions from aqueous solution by cross-linked magnetic chitosan-2-aminopyridine glyoxal Schiff's base resin (CSAP) was studied in a batch adsorption system. Cu(II), Cd(II) and Ni(II) removal is pH dependent and the optimum adsorption was observed at pH 5.0. The adsorption was fast with estimated initial rate of 2.7, 2.4 and 1.4 mg/(g min) for Cu(2+), Cd(2+) and Ni(2+) respectively. The adsorption data could be well interpreted by the Langmuir, Freundlich and Temkin model. The maximum adsorption capacities obtained from the Langmuir model were 124±1, 84±2 and 67±2 mg g(-1) for Cu(2+), Cd(2+) and Ni(2+) respectively. The adsorption process could be described by pseudo-second-order kinetic model. Thermodynamic parameters revealed the feasibility, spontaneity and exothermic nature of adsorption. The sorbents were successfully regenerated using EDTA and HCl solutions. Copyright © 2012 Elsevier B.V. All rights reserved.

  1. Dye-doped nanostructure polypyrrole film for electrochemically switching solid-phase microextraction of Ni(II) and ICP-OES analysis of waste water.

    Science.gov (United States)

    Shamaeli, Ehsan; Alizadeh, Naader

    2012-01-01

    A nanostructure fiber based on conducting polypyrrole synthesized by an electrochemical method has been developed, and used for electrochemically switching solid-phase microextraction (ES-SPME). The ES-SPME was prepared by the doping of eriochrome blue in polypyrrole (PPy-ECB) and used for selectively extracting the Ni(II) cation in the presence of some transition and heavy metal ions. The cation-exchange behavior of electrochemically prepared polypyrrole on stainless-steel with and without eriochrome blue (ECB) dye was characterized using ICP-OES analysis. The effects of the scan rate for electrochemical synthesis, uptake and the release potential on the extraction behavior of the PPy-ECB conductive fiber were studied. Uptake and release time profiles show that the process of electrically switched cation exchange could be completed within 250 s. The results of the present study point concerning the possibility of developing a selective extraction process for Ni(II) from waste water was explored using such a nanostructured PPy-ECB film through an electrically switched cation exchange. 2012 © The Japan Society for Analytical Chemistry

  2. Adsorción de iones Ni(II sobre una arcilla bentonítica peletizada

    Directory of Open Access Journals (Sweden)

    Carlos Mejía Miranda

    2015-12-01

    Full Text Available La presencia de iones metálicos en aguas residuales genera un efecto tóxico para ecosistemas marinos y la salud pública. Las arcillas son materiales naturales con alta capacidad de adsorción y de bajo costo, viables para su implementación a nivel a industrial para la remoción de iones metálicos. Su implementación está limitada al desarrollo de alternativas para la utilización de estas arcillas a gran escala y en procesos continuos. La peletización de las arcillas permite su utilización en columnas de lecho fi jo. En este trabajo se evaluó la cinética de adsorción de iones níquel sobre una arcilla bentónica peletizada. Los extrudados se prepararon por humectación de la arcilla con una solución acidifi cada con ácido nítrico al 2%v. La proporción en volumen arcilla/solución acuosa fue 2:1. Se evaluó la remoción de iones níquel a 20, 40, 100 y 160 minutos y temperaturas de 25, 40 y 60°C. La cinética de adsorción de Ni(II se ajustó a un modelo de pseudo segundo orden. Las constantes cinéticas del modelo fueron 2,792x10-3, 8,085x10-4y 6,292x10-4g/mg.min para las temperaturas de reacción 25, 45 y 60°C, respectivamente. A partir de la lineación de la ecuación de Arrhenius se determinó la energía de activación y el factor de frecuencia para la reacción de adsorción de iones níquel sobre arcilla bentonítica, siendo 29,58kJ/moly 507,15g/mg.min, respectivamente. La magnitud de la energía de activación indica que la etapa controlante en la adsorción es la quimisorción de los iones níquel sobre la superfi cie de la arcilla.

  3. How easy is CO2 fixation by M-C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?

    KAUST Repository

    Nolan, Steve

    2015-11-27

    A comparison between different M–C bonds (M = Cu(I), Ni(II), Co(I), Rh(I) and Ir(I)) has been reported by using density functional theory (DFT) calculations to explore the role of the metal in the fixation or incorporation of CO2 into such complexes. The systems investigated are various metal based congeners of the Ir-complex 8 [(cod)(IiPr)Ir-CCPh], with a ligand scaffold based on cod and IiPr ligands (cod = 1,5-cyclooctadiene; IiPr = 1,3-bis(isopropyl)imidazol-2-ylidene). The results of this study show that the calculated CO2 insertion barriers follow the trend: Cu(I) (20.8 kcal mol−1) < Rh(I) (30.0 kcal mol−1) < Co(I) (31.3 kcal mol−1) < Ir(I) (37.5 kcal mol−1) < Ni(II) (45.4 kcal mol−1), indicating that the Cu(I) based analogue is the best CO2 fixer, while Ni(II) is the worst in the studied series.

  4. Fluorescence-detected X-ray magnetic circular dichroism of well-defined Mn(II) and Ni(II) doped in MgO crystals: credential evaluation for measurements on biological samples.

    Science.gov (United States)

    Wang, Hongxin; Bryant, Craig; LeGros, M; Wang, Xin; Cramer, S P

    2012-10-18

    L(2,3)-edge X-ray magnetic circular dichroism (XMCD) spectra have been measured for the well-defined dilute Ni(II) and Mn(II) ions doped into a MgO crystal, with sub-Kelvin dilution refrigerator cooling and 2 T magnetic field magnetization. A 30-element Ge array X-ray detector has been used to measure the XMCD for these dilute ions, whose concentrations are 1400 ppm for Ni(II) and 10,000 ppm for Mn(II). Large XMCD effects have been observed for both Ni(II) and Mn(II), and multiplet simulation described the observed spectra. The fluorescence-detected L-edge absorption spectrum and XMCD of Ni(II) in MgO are comparable with both theoretical calculations and the total electron yield measured ions in similar chemical environments, at least qualitatively validating the use of the sensitive fluorescence detection technique for studying XMCD for dilute 3d metal ions, such as various metalloproteins. Sum rule analyses on the XMCD spectra are also performed. In addition, these XMCD measurements have also been used to obtain the sample's magnetization curve and the beamline's X-ray helicity curve. This study also illustrated that bend magnet beamlines are still useful in examining XMCD on dilute and paramagnetic metal sites.

  5. Synthesis, Characterization, and Biological Activity of Some Transition Metal Complexes of N-Benzoyl-N′-2-thiophenethiocarbohydrazide

    Directory of Open Access Journals (Sweden)

    Mahendra Yadav

    2012-01-01

    Full Text Available In the present study, Mn(II, Fe(II, Ni(II, and Cu(II complexes of N-benzoyl -N′-2-thiophenethiocarbohydrazide (H2 BTTH have been synthesized and characterized by elemental analysis, magnetic susceptibility measurements, infrared, NMR, electronic, and ESR spectral studies. The complexes were found to have compositions [Mn(H BTTH2], [Ni(BTTH(H2O2], [Cu(BTTH], and [Fe(H BTTH2EtOH]. The antibacterial and antifungal properties of H2 BTTH and its metal complexes have been screened against several bacteria and fungi.

  6. Synthesis, spectral studies and biological evaluation of 2-aminonicotinic acid metal complexes

    Science.gov (United States)

    Nawaz, Muhammad; Abbasi, Muhammad Waseem; Hisaindee, Soleiman; Zaki, Muhammad Javed; Abbas, Hira Fatima; Mengting, Hu; Ahmed, M. Arif

    2016-05-01

    We synthesized 2-aminonicotinic acid (2-ANA) complexes with metals such as Co(II), Fe(III), Ni(II), Mn(II), Zn(II), Ag(I),Cr(III), Cd(II) and Cu(II) in aqueous media. The complexes were characterized and elucidated using FT-IR, UV-Vis, a fluorescence spectrophotometer and thermo gravimetric analysis (TGA). TGA data showed that the stoichiometry of complexes was 1:2 metal/ligand except for Ag(I) and Mn(II) where the ratio was 1:1. The metal complexes showed varied antibacterial, fungicidal and nematicidal activities. The silver and zinc complexes showed highest activity against Bacillus subtilis and Bacillus licheniformis respectively. Fusarium oxysporum was highly susceptible to nickel and copper complexes whereas Macrophomina phaseolina was completely inert to the complexes. The silver and cadmium complexes were effective against the root-knot nematode Meloidogyne javanica.

  7. Synthesis, spectral studies and biological evaluation of 2-aminonicotinic acid metal complexes.

    Science.gov (United States)

    Nawaz, Muhammad; Abbasi, Muhammad Waseem; Hisaindee, Soleiman; Zaki, Muhammad Javed; Abbas, Hira Fatima; Mengting, Hu; Ahmed, M Arif

    2016-05-15

    We synthesized 2-aminonicotinic acid (2-ANA) complexes with metals such as Co(II), Fe(III), Ni(II), Mn(II), Zn(II), Ag(I),Cr(III), Cd(II) and Cu(II) in aqueous media. The complexes were characterized and elucidated using FT-IR, UV-Vis, a fluorescence spectrophotometer and thermo gravimetric analysis (TGA). TGA data showed that the stoichiometry of complexes was 1:2 metal/ligand except for Ag(I) and Mn(II) where the ratio was 1:1. The metal complexes showed varied antibacterial, fungicidal and nematicidal activities. The silver and zinc complexes showed highest activity against Bacillus subtilis and Bacillus licheniformis respectively. Fusarium oxysporum was highly susceptible to nickel and copper complexes whereas Macrophomina phaseolina was completely inert to the complexes. The silver and cadmium complexes were effective against the root-knot nematode Meloidogyne javanica. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Synthesis, characterization and biological activity of 2-acetylpyridine-α-naphthoxyacetylhydrazone its metal complexes

    Science.gov (United States)

    El-Gammal, O. A.; Bekheit, M. M.; Tahoon, Mai

    2015-01-01

    A new series of complexes of Ni(II), Co(II), Cu(II), Cd(II), Mn(II), Hg(II) and UO22+ derived from 2-acetylpyridine-α-naphthoxyacetylhydrazone (HA2PNA) have been prepared and characterized by elemental analyses, spectral (IR, UV-visible, ESR and 1H NMR) as well as magnetic and thermal measurements. The data revealed that the ligand acts as neutral NO, NN and NNO or mono-negative NNO chelate. On the basis of electronic spectral and magnetic moment data, an octahedral geometry is suggested for Mn(II), Co(II), Ni(II) and UO22+ complexes and a square planar arrangement for Cu(II) complex. The bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes. The kinetic parameters were determined for thermal degradation stages of some complexes using Coats-Redfern and Horowitz-Metzger methods. Also, the ligand and its complexes were screened against antibacterial, antioxidant using DPPH radical and antitumor activities using in vitro Ehrlich ascites assay.

  9. Ni(ii) ions cleave and inactivate human alpha-1 antitrypsin hydrolytically, implicating nickel exposure as a contributing factor in pathologies related to antitrypsin deficiency.

    Science.gov (United States)

    Wezynfeld, Nina Ewa; Bonna, Arkadiusz; Bal, Wojciech; Frączyk, Tomasz

    2015-04-01

    Human alpha-1 antitrypsin (AAT) is an abundant serum protein present at a concentration of 1.0-1.5 g L(-1). AAT deficiency is a genetic disease that manifests with emphysema and liver cirrhosis due to the accumulation of a misfolded AAT mutant in hepatocytes. Lung AAT amount is inversely correlated with chronic obstructive pulmonary disease (COPD), a serious and often deadly condition, with increasing frequency in the aging population. Exposure to cigarette smoke and products of fossil fuel combustion aggravates AAT deficiency and COPD according to mechanisms that are not fully understood. Taking into account that these fumes contain particles that can release nickel to human airways and skin, we decided to investigate interactions of AAT with Ni(ii) ions within the paradigm of Ni(ii)-dependent peptide bond hydrolysis. We studied AAT protein derived from human blood using HPLC, SDS-PAGE, and mass spectrometry. These studies were aided by spectroscopic experiments on model peptides. As a result, we identified three hydrolysis sites in AAT. Two of them are present in the N-terminal part of the molecule next to each other (before Thr-13 and Ser-14 residues) and effectively form one N-terminal cleavage site. The single C-terminal cleavage site is located before Ser-285. The N-terminal hydrolysis was more efficient than the C-terminal one, but both abolished the ability of AAT to inhibit trypsin in an additive manner. Nickel ions bound to hydrolysis products demonstrated an ability to generate ROS. These results implicate Ni(ii) exposure as a contributing factor in AAT-related pathologies.

  10. Characterization and application of expanded graphite modified with phosphoric acid and glucose for the removal of Ni(II) from aqueous solution

    Science.gov (United States)

    Jiang, Li; Zhang, Jian; Xu, Xiaoli; Zhang, Jie; Liu, Hai; Guo, Zizhang; Kang, Yan; Li, Yiran; Xu, Jingtao

    2015-12-01

    Three kinds of modified expanded graphite (EG), impregnated with phosphoric acid (H3PO4) (P-EG), impregnated with glucose (G-EG), and impregnated with H3PO4 and glucose (G-P-EG), were prepared under a low temperature (150 °C). The adsorption capacity of G-P-EG (Qm = 7.016 mg/g) is much higher than original expanded graphite (EG Qm = 0.423 mg/g) and other two kinds of modified expanded graphite (P-EG Qm = 0.770 mg/g; G-EG Qm = 0.507 mg/g). The physicochemical properties of EG and G-P-EG were characterized by N2 adsorption/desorption, Boehm's titration and X-ray photoelectron spectroscopy (XPS). EG exhibited higher values of BET surface area (11.357 m2/g) and total pore volume (0.0303 cm3/g) than that of G-P-EG (4.808 m3/g and 0.0109 cm3/g). However, the results of Bohm's titration and XPS showed that G-P-EG contained more surface oxygen-containing functional groups. The Ni(II) adsorption equilibrium data agreed well with the Langmuir model. And the experimental data of EG and G-P-EG fitted better by pseudo-second order model. Based on the results of batch adsorption experiments and XPS analysis, there were several possible mechanisms for Ni(II) adsorption on the G-P-EG, including chemical adsorption, cation exchange, electrostatic attraction and surface complication.

  11. Spectral, magnetic, and thermal properties of some thiazolylazo complexes

    Energy Technology Data Exchange (ETDEWEB)

    Masoud, M. S.; Mohamed, G. B.; Abdulrazek, Y. H.; Ali, A. E. [Alexandria Univ., Alexandria (Egypt); Khairy, F. N. [Ahfad Univ. for Women, Omderman (Sudan)

    2002-04-01

    The thiazolylazo compounds and their Co(II), Ni(II) and Cu(II) complexes of barbituric acid, uracil, thiouracil, citrazinic acid, chromotropic acid, gallic acid, pyrogallol and salicylic acid were prepared and characterized by {sup 1}H NMR, IR and the effect of pH on the electronic absorption spectra. The mode of ionization, the electronic transitions and the dissociation constants were discussed. The stoichiometries of the complexed were of 1:1, 2:1 and 3:2 (M:L). The copper complexes are of isotropic ESR spectra (except that of gallic acid which showed a complicated one) and are of magnetically diluted behavior with orbital contribution. Detailed DTA data were obtained and discussed.

  12. Preparation and characterisation of some transition metal complexes of niacinamide (vitamin b3)

    International Nuclear Information System (INIS)

    Hasan, M.M.; Hossain, M.E.; Halim, M.E.

    2015-01-01

    Niacinamide forms metal complexes of general formula (M(C/sub 6/H/sub 6/N/sub 2/O)2)Cl/sub 2/; where M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) in the aqueous medium. The complexes were formulated by comparing the experimental and calculated data for C, H, N and metal. The prepared complexes were characterized by different physicochemical methods. The UV-vis, FTIR spectral analysis and thermo gravimetric analysis (TGA). TGA of these complexes have been discussed. Magnetic susceptibility values indicate that all complexes except Zn complex are paramagnetic in nature. The redox properties of the metal ions in the Mn, Cu and Zn complexes have been discussed from the cyclic voltammetric studies. In all cases the systems are quasi reversible. (author)

  13. Metal Complexes with a Hexadentate Macrocyclic Diamine-Tetracarbene Ligand.

    Science.gov (United States)

    Lu, Taotao; Yang, Chu-Fan; Zhang, Li-Yi; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling

    2017-10-02

    A hexadentate macrocyclic N-heterocyclic carbene (NHC) ligand precursor (H 4 L)(PF 6 ) 4 containing four benzimidazolium and two secondary amine groups, has been synthesized and characterized. Coordination chemistry of this new macrocyclic diamine-tetracarbene ligand has been studied by the synthesis of its Ag(I), Au(I), Ni(II), and Pd(II) complexes. Reactions of (H 4 L)(PF 6 ) 4 with different equiv of Ag 2 O result in Ag(I) complexes [Ag(H 2 L)](PF 6 ) 3 (1) and [Ag 2 (H 2 L)](PF 6 ) 4 (2). A mononuclear Au(I) complex [Au(H 2 L)](PF 6 ) 3 (3) and a trinuclear Au(I) complex [Au 3 (H 2 L)(Cl) 2 ](PF 6 ) (4) are obtained by transmetalation of 1 and 2 with AuCl(SMe 2 ), respectively. Reactions of (H 4 L)(PF 6 ) 4 with Ni(OAc) 2 and Pd(OAc) 2 in the presence of NaOAc yield [Ni(L)](PF 6 ) 2 (5) and [Pd(L)](PF 6 ) 2 (6), respectively, containing one Ni(II) and Pd(II) ion with distorted square-planar geometry. Using more NaOAc results in the formation of unusual dinuclear complexes [Ni 2 (L-2H)](PF 6 ) 2 (7) and [Pd 2 (L-2H)](PF 6 ) 2 (8) (L-2H = deprotonated ligand after removing two H + ions from two secondary amine groups in L), respectively, featuring a rare M 2 N 2 core formed by two bridging amides. 7 is also formed by the reaction of 5 with 1.0 equiv of Ni(OAc) 2 ·4H 2 O in the presence of NaOAc. Transmetalation of 2 with 2.0 equiv of Ni(PPh 3 ) 2 Cl 2 gives [Ni 2 (L)(μ-O)](PF 6 ) 2 (9), the first example of a dinuclear Ni(II) complex with a singly bridging oxo group. 9 is converted to 7 in good yield through the treatment with NaOAc.

  14. Unsymmetrical Schiff base (ON) ligand on complexation with some transition metal ions: synthesis, spectral characterization, antibacterial, fluorescence and thermal studies.

    Science.gov (United States)

    Ali, Omyma A M; El-Medani, Samir M; Abu Serea, Maha R; Sayed, Abeer S S

    2015-02-05

    A series of eight metal Schiff base complexes were synthesized by the thermal reaction of Cu(II), Ni(II), Fe(III), Co(II), Zn(II), Hg(II), La(III) or Sm(III) with a Schiff base "L" produced by the condensation of furfuraldehyde and 1,2-diaminobenzene. These compounds were characterized by elemental analysis, UV-Vis, FT-IR, molar conductance, mass spectrometry, thermal and fluorescence studies. The studies suggested the coordination of the ligand L to metal through azomethine imine nitrogen and furan oxygen atoms of Schiff base moiety. Thermogravimetric (TG/DTG) analyses data were studied and indicated high stability for all complexes and suggested the presence of lattice and/or coordinated water molecules in the complexes. Coats-Redfern method has been used to calculate the kinetic and thermodynamic parameters of the metal complexes. The spectral and thermal analysis reveal that all complexes have octahedral geometry except Cu(II) and Ni(II) complexes which can attain a square planner arrangements. The ligand and its complexes exhibited intraligand (π-π(∗)) fluorescence and can potentially serve as photoactive materials. Both the ligand and its complexes have been screened for antibacterial activities. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. SYNTHESIS OF POLYEUGENYL OXYACETIC ACID AS A CARRIER TO SEPARATE HEAVY METAL ION Fe (III, Cr(III, Cu(II, Ni(II, Co(II, AND Pb(II THAT USING SOLVENT EXTRACTION METHOD

    Directory of Open Access Journals (Sweden)

    La Harimu

    2010-06-01

    Full Text Available Polyeugenyl oxyacetic acid has been synthesized from polyeugenol and chloroacetic acid and applied to separate metal Fe(III, Cr(III, Cu(II, Ni(II, Co(II, and Pb(II using solvent extraction method. pH effect, polyeugenyl oxyacetic acid ion carrier concentration, extraction time, and metal concentration optimized to gain optimum condition. The result of experiment indicated that polyeugenyl oxyacetic acid resulted the yellowed brown synthesis with melting point 125 °C and yield 68.9%. The Characterization of spectroscopy IR attributed by absorption to the area 1735,8 cm -1 as carbonyl extend vibration (C=O acid and 1H-NMR that was attributed by chemical shift at 4.6 ppm as carboxy proton (CH2-C=0. The metal separation optimum condition gained pH 3-6 for ion Fe(III, pH 5 for ion Cr(III, Ni(II, and Co(II and pH 6 for ion Cu(II, and Pb(II. Optimum carrier concentraction 5 mL, 10 mL, and 15 mL for ion Fe(III, and ion Cr(III, Ni(II, Co(II, and ion Cu(II, Pb(II respectively. Extraction time 2.5 h for ion Fe(III, 20 h for ion Cr(III, and 36 h for ion Cu(II, Pb(II, Ni(II, and Co(II. Metal concentration that would extracted correctly (0.75-5 x 10-4 M for ion Fe(III, (0.75-2.5 x 10-4 M for ion Cr(III, Ni(II, and Co(II and (0.75-1 x 10-4 M for ion Cu(II and Pb(II. The best polyeugenil oxyacetic acid response to separate ion Fe(III than other ions with selectivity order Fe(III> Cr(III> Cu(II> Pb(II> Ni(II> Co(II.   Keywords: polyeugenil oxyacetic acid, pH, extraction time, metal concentraction, solvent extraction

  16. One electron reduction of 1,2 dihydroxy 9,10 anthraquinone and its transition metal complexes in aqueous-isopropanol-acetone mixed solvent: a steady state-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, Saurabh; Mandal, Parikshit C.; Rath, Madhab C.; Mukherjee, Tulsi

    1998-01-01

    One electron reduction of 1,2 dihydroxy 9,10 anthraquinone and its Cu(II) and Ni(II) and Fe(III) complexes have been studied in aqueous-isopropanol-acetone solvent. Results indicate that the reducing ketyl radical generated reacts with the ligand forming semiquinones which undergoes a disproportionation reaction. Formation and decay rates of semiquinones was calculated using pulse radiolysis. (author)

  17. Reaction of Non-Symmetric Schiff Base Metallo-Ligand Complexes Possessing an Oxime Function with Ln Ions

    Directory of Open Access Journals (Sweden)

    Jean-Pierre Costes

    2018-03-01

    Full Text Available The preparation of non-symmetric Schiff base ligands possessing one oxime function that is associated to a second function such as pyrrole or phenol function is first described. These ligands, which possess inner N4 or N3O coordination sites, allow formation of cationic or neutral non-symmetric CuII or NiII metallo-ligand complexes under their mono- or di-deprotonated forms. In presence of Lanthanide ions the neutral complexes do not coordinate to the LnIII ions, the oxygen atom of the oxime function being only hydrogen-bonded to a water molecule that is linked to the LnIII ion. This surprising behavior allows for the isolation of LnIII ions by non-interacting metal complexes. Reaction of cationic NiII complexes possessing a protonated oxime function with LnIII ions leads to the formation of original and dianionic (Gd(NO352− entities that are well separated from each other. This work highlights the preparation of well isolated mononuclear LnIII entities into a matrix of diamagnetic metal complexes. These new complexes complete our previous work dealing with the complexing ability of the oxime function toward Lanthanide ions. It could open the way to the synthesis of new entities with interesting properties, such as single-ion magnets for example.

  18. Synthesis, structural, spectroscopic and biological studies of Schiff base complexes

    Science.gov (United States)

    Diab, M. A.; El-Sonbati, A. Z.; Shoair, A. F.; Eldesoky, A. M.; El-Far, N. M.

    2017-08-01

    Schiff base ligand 4-((pyridin-2- yl)methyleneamino)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one (PDMP) and its complexes were prepared and characterized on the basis of elemental analysis, IR, mass spectra and thermogravimetric analysis. All results confirm that the complexes have 1:1 (M: PMDP) stoichiometric formula [M(PMDP)Cl2H2O ] (M = Cu(II), Co(II), Ni(II) and Mn(II)), [Cd(PMDP)Cl2] and the ligand behaves as a bi/tridentate forming five-membered chelating ring towards the metal ions, bonding through azomethine nitrogen/exocyclic carbonyl oxygen, azomethine pyridine nitrogen and exocyclic carbonyl oxygen. The shift in the band positions of the groups involved in coordination has been utilized to estimate the metal-nitrogen and/or oxygen bond lengths. The complexes of Co(II), Ni(II) and Cu(II) are paramagnetic and the magnetic as well as spectral data suggest octahedral geometry, whereas the Cd(II) complex is tetrahedral. The XRD studies show that both the ligand and its metal complexes (1 and 3) show polycrystalline with crystal structure. Molecular docking was used to predict the binding between PMDP ligand and the receptors. The corrosion inhibition of mild steel in 2 M HCl solution by PDMP was explored utilizing potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and (EFM) electrochemical frequency modulation method. Potentiodynamic polarization demonstrated that PDMP compound is mixed-type inhibitor. EIS spectra exhibit one capacitive loop and confirm the protective ability. The percentage of inhibition efficiency was found to increase with increasing the inhibitor concentration.

  19. Structural characterization and antimicrobial activities of transition metal complexes of a hydrazone ligand

    Science.gov (United States)

    Bakale, Raghavendra P.; Naik, Ganesh N.; Machakanur, Shrinath S.; Mangannavar, Chandrashekhar V.; Muchchandi, Iranna S.; Gudasi, Kalagouda B.

    2018-02-01

    A hydrazone ligand has been synthesized by the condensation of 2-nitrobenzaldehyde and hydralazine, and its Co(II), Ni(II), Cu(II) and Zn(II) complexes have been reported. Structural characterization of the ligand and its metal complexes has been performed by various spectroscopic [IR, NMR, UV-Vis, Mass], thermal and other physicochemical methods. The structure of the ligand and its Ni(II) complex has been characterized by single crystal X-ray diffraction studies. All the synthesized compounds have been screened for in vitro antimicrobial activity. The antibacterial activity is tested against Gram-positive strains Enterococcus faecalis, Streptococcus mutans and Staphylococcus aureus and Gram-negative strains Escherichia coli, Pseudomonas aeruginosa and Klebsiella pneumoniae using ciprofloxacin as the reference standard. Antifungal activity is tested against Candida albicans, Aspergillus fumigatus and Aspergillus niger using ketoconazole as the reference standard. The minimum inhibitory concentration (MIC) was determined for test compounds as well as for reference standard. Ligand, Cu(II) and Zn(II) complexes have shown excellent activity against Candida albicans.

  20. Multiporphyrin coordination arrays based on complexation of magnesium(II) porphyrins with porphyrinylphosphine oxides.

    Science.gov (United States)

    Atefi, Farzad; McMurtrie, John C; Arnold, Dennis P

    2007-06-07

    Di- and triporphyrin arrays consisting of 5,15-diphenylporphyrinatomagnesium(II) (MgDPP) coordinated to free-base and Ni(II) porphyrinyl mono- and bis-phosphine oxides, as well as the self-coordinating diphenyl[10,20-diphenylporphyrinatomagnesium(II)-5-yl]phosphine oxide [MgDPP(Ph(2)PO)], were synthesised in excellent yields and characterised by various spectroscopic techniques. Phosphine oxides stabilise Mg(II) coordination to porphyrins and the resulting complexes have convenient solubilities, while the Ni(II) complexes exhibit interesting intramolecular fluorescence quenching behaviour. The binding constant of MgDPP to triphenylphosphine oxide (5.3 +/- 0.1 x 10(5) M(-1)) and the very high self-association constant of [MgDPP(Ph(2)PO)] (5.5 +/- 0.5 x 10(8) M(-1)) demonstrate the strong affinity of phosphine oxides towards Mg(II) porphyrins. These complexes are the first strongly bound synthetic Mg(II) multiporphyrin complexes and could potentially mimic the "special pair" in the photosynthetic reaction centre.

  1. Synthesis, structural elucidation, microbial, antioxidant and nuclease activities of some novel divalent M(II complexes derived from 5-fluorouracil and l-tyrosine

    Directory of Open Access Journals (Sweden)

    Jeyaprakash Dharmaraja

    2017-01-01

    Full Text Available Novel N2O2 sequence of mononuclear amino acid metal(II complexes (1a–1e was synthesized from 5-fluorouracil (5-FU: A and l-tyrosine (tyr: B with Mn(II, Co(II, Ni(II, Cu(II and Zn(II ions. The synthesized complexes were structurally characterized by analytical, spectral (FT-IR, UV–vis, 1H NMR, FAB-Mass, TGA/DTA and EPR as well as molar conductance and magnetic studies. From spectral studies, both the ligands act as bidentate and they bind metal(II ions through deprotonated-N3 and C4O atoms and amino-N and deprotonated carboxylato-O atoms, respectively, to form a stable metal chelate. The observed low molar conductance values suggest a non-electrolytic nature. Calculated g tensor values of Cu(II complex (1d at 77 and 300 K confirm their geometry. Thermal behavior of metal(II complexes (1a–1c shows loss of coordinated water molecules in the first step followed by decomposition of ligand moieties in a respective manner and leads to form air stable metal oxide as final residues. Powder X-ray diffraction and SEM studies illustrate that all the complexes have uniform microcrystalline with homogenous morphology. Mn(II, Ni(II and Cu(II complexes show significant in vitro antimicrobial and antioxidant activities than 5-fluorouracil(A. Moreover, the nuclease studies of Ni(II and Cu(II complexes (1c and 1d show considerable DNA binding and oxidative DNA cleavage activities than other complexes.

  2. Synthesis and Antimicrobial Studies Of Mn(II), Co(II), Ni(Ii), Zn(II) and ...

    African Journals Online (AJOL)

    2017-08-20

    Aug 20, 2017 ... dentate ligands capable of forming very stable complexes with transition metals Tetradentate. Schiff bases with N2O2 donor atoms are well known to coordinate with various transition metal ions (Costamagna et al,. 2000). The complexes of transition metal(II) which involves derivatives of amino acids and.

  3. Studies on Synthesis and Spectral Characterization of Some Transition Metal Complexes of Azo-Azomethine Derivative of Diaminomaleonitrile

    Directory of Open Access Journals (Sweden)

    C. Anitha

    2013-01-01

    Full Text Available New complexes of 2,3-bis(5-(4-chlorophenyldiazenyl-2-hydroxybenzylideneaminomaleonitrile (CDHBDMN with VO(II, Mn(II, Co(II, Ni(II, Cu(II, and Zn(II were synthesized and characterized by analytical and physicochemical techniques, that is, elemental analyses, molar conductivity, UV, IR, EPR, 1H-NMR spectra, magnetic susceptibility and also by aid of scanning electron microscopy (SEM, nonlinear optical study (NLO, fluorescence spectral studies, and solvatochromic behaviors. Electronic and magnetic susceptibility measurements of the complexes indicate square pyramidal geometry for VO(II, octahedral for Ni(II, and square planar geometry for all the other complexes. The EPR spectral data provide information about their structures on the basis of Hamiltonian parameters and the degree of covalency. These metal complexes were also tested for their antibacterial and antifungal activities to assess their inhibiting potential. Metal-mediated fluorescence enhancement is observed on complexation of the azo Schiff base ligand. The synthesized compounds were investigated for nonlinear optical properties, and the surface morphology of the Cu(II complex was studied by scanning electron microscopy.

  4. Coordination functionalization of graphene oxide with tetraazamacrocyclic complexes of nickel(II): Generation of paramagnetic centers

    International Nuclear Information System (INIS)

    Basiuk, Vladimir A.; Alzate-Carvajal, Natalia; Henao-Holguín, Laura V.; Rybak-Akimova, Elena V.; Basiuk, Elena V.

    2016-01-01

    Highlights: • [Ni(cyclam)] 2+ and [Ni(tet b)] 2+ cations coordinate to carboxylic groups of GO. • The coordination takes place under basic conditions in aqueous-based medium. • The coordination results in the conversion from low-spin to high-spin Ni(II). • Functionalized GO samples were characterized by various instrumental techniques. - Abstract: We describe a novel approach to functionalization of graphene oxide (GO) which allows for a facile generation of paramagnetic centers from two diamagnetic components. Coordination attachment of [Ni(cyclam)] 2+ or [Ni(tet b)] 2+ tetraazamacrocyclic cations to carboxylic groups of GO takes place under basic conditions in aqueous-based reaction medium. The procedure is very straightforward and does not require high temperatures or other harsh conditions. Changing the coordination geometry of Ni(II) from square-planar tetracoordinated to pseudooctahedral hexacoordinated brings about the conversion from low-spin to high-spin state of the metal centers. Even though the content of tetraazamacrocyclic complexes in functionalized GO samples was found to be relatively low (nickel content of ca. 1 wt%, as determined by thermogravimetric analysis, elemental analysis and energy dispersive X-ray spectroscopy), room temperature magnetic susceptibility measurements easily detected the appearance of paramagnetic properties in GO + [Ni(cyclam)] and GO + [Ni(tet b)] nanohybrids, with effective magnetic moments of 1.95 BM and 2.2 BM for, respectively. According to density functional theory calculations, the main spin density is localized at the macrocyclic complexes, without considerable extension to graphene sheet, which suggests insignificant ferromagnetic coupling in the nanohybrids, in agreement with the results of magnetic susceptibility measurements. The coordination attachment of Ni(II) tetraazamacrocycles to GO results in considerable changes in Fourier-transform infrared and X-ray photoelectron spectra, as well as in GO

  5. Spectrophotometric determination of metal complexes of 1-nitroso-2-naphthol in micellar medium

    International Nuclear Information System (INIS)

    Shar, G.A.; Bhanger, M.I.

    2002-01-01

    Spectrophotometric determination of iron(III), nickel(II) and cobalt(II) is carried out with 1-nitroso-2-naphthol as complexing reagent in aqueous phase using non-ionic surfactant Tween 40. This replaces a tedious and time consuming solvent extraction method, because these solvents are costly and also toxic. Beer's law was obeyed, for Fe(III), Ni(II) and Co(II) over the range 0.5 - 4.0, 0.5 - 4.0 and 0.12 - 3.0 micro g ml/sup -1/ with detection limit (2 sigma ) of 3.3, 5.8 and 3.1 ng ml/sup -1/ respectively. The lambda /sub max/ molar absorption, molar absorptivity and Sandell's sensitivity of Fe(III), Ni(II) and Co(II) were (lambda /sub max/ 446 nm), (lambda/sub max/ 483.5 nm) and (lambda/sub max/ 444.5 nm); sigma/sub max/ x 10/sp 4/ mol/sp -1/ cm/sup -1/) is 1.69, 1.0 and 1.86, 3.3, 5.8 and 3.1 ng cm/sup -2/, respectively. The pH at which the complex is formed for Fe(III), Ni(II) and Co(II) is 1, 8 and 5 respectively. The critical micelle concentration (cmc) of 1-nitroso-2-naphthol is 5% solution. The present method is compared with that of atomic absorption spectroscopy and no significant difference is noted between the two methods at 95% confidence level. The method has been applied to the determination of iron(III), nickel(II) and cobalt(II) in pharmaceutical and industrial wastewater samples. (author)

  6. Design, synthesis, spectral characterization, DNA interaction and biological activity studies of copper(II), cobalt(II) and nickel(II) complexes of 6-amino benzothiazole derivatives

    Science.gov (United States)

    Daravath, Sreenu; Kumar, Marri Pradeep; Rambabu, Aveli; Vamsikrishna, Narendrula; Ganji, Nirmala; Shivaraj

    2017-09-01

    Two novel Schiff bases, L1 = (2-benzo[d]thiazol-6-ylimino)methyl)-4,6-dichlorophenol), L2 = (1-benzo[d]thiazol-6-ylimino)methyl)-6-bromo-4-chlorophenol) and their bivalent transition metal complexes [M(L1)2] and [M(L2)2], where M = Cu(II), Co(II) and Ni(II) were synthesized and characterized by elemental analysis, NMR, IR, UV-visible, mass, magnetic moments, ESR, TGA, SEM, EDX and powder XRD. Based on the experimental data a square planar geometry around the metal ion is assigned to all the complexes (1a-2c). The interaction of synthesized metal complexes with calf thymus DNA was explored using UV-visible absorption spectra, fluorescence and viscosity measurements. The experimental evidence indicated that all the metal complexes strongly bound to CT-DNA through an intercalation mode. DNA cleavage experiments of metal(II) complexes with supercoiled pBR322 DNA have also been explored by gel electrophoresis in the presence of H2O2 as well as UV light, and it is found that the Cu(II) complexes cleaved DNA more effectively compared to Co(II), Ni(II) complexes. In addition, the ligands and their metal complexes were screened for antimicrobial activity and it is found that all the metal complexes were more potent than free ligands.

  7. Characterization and application of expanded graphite modified with phosphoric acid and glucose for the removal of Ni(II) from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Li [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Zhang, Jian, E-mail: zhangjian00@sdu.edu.cn [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Xu, Xiaoli [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Zhang, Jie [Shandong Experimental High School, Jinan 250100 (China); Liu, Hai; Guo, Zizhang; Kang, Yan; Li, Yiran [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Xu, Jingtao [School of Municipal and Environmental Engineering, Shandong Jianzhu University, Jinan 250100 (China)

    2015-12-01

    Highlights: • Glucose and H{sub 3}PO{sub 4}, single or together, were used to modify expanded graphite. • The modified condition was at a low temperature (150 °C). • The properties of EG and the highest adsorption ability modified EG were compared. • G-P-EG has the highest adsorption ability, which is much higher than that of EG. - Abstract: Three kinds of modified expanded graphite (EG), impregnated with phosphoric acid (H{sub 3}PO{sub 4}) (P-EG), impregnated with glucose (G-EG), and impregnated with H{sub 3}PO{sub 4} and glucose (G-P-EG), were prepared under a low temperature (150 °C). The adsorption capacity of G-P-EG (Q{sub m} = 7.016 mg/g) is much higher than original expanded graphite (EG Q{sub m} = 0.423 mg/g) and other two kinds of modified expanded graphite (P-EG Q{sub m} = 0.770 mg/g; G-EG Q{sub m} = 0.507 mg/g). The physicochemical properties of EG and G-P-EG were characterized by N{sub 2} adsorption/desorption, Boehm's titration and X-ray photoelectron spectroscopy (XPS). EG exhibited higher values of BET surface area (11.357 m{sup 2}/g) and total pore volume (0.0303 cm{sup 3}/g) than that of G-P-EG (4.808 m{sup 3}/g and 0.0109 cm{sup 3}/g). However, the results of Bohm's titration and XPS showed that G-P-EG contained more surface oxygen-containing functional groups. The Ni(II) adsorption equilibrium data agreed well with the Langmuir model. And the experimental data of EG and G-P-EG fitted better by pseudo-second order model. Based on the results of batch adsorption experiments and XPS analysis, there were several possible mechanisms for Ni(II) adsorption on the G-P-EG, including chemical adsorption, cation exchange, electrostatic attraction and surface complication.

  8. Characterization and application of expanded graphite modified with phosphoric acid and glucose for the removal of Ni(II) from aqueous solution

    International Nuclear Information System (INIS)

    Jiang, Li; Zhang, Jian; Xu, Xiaoli; Zhang, Jie; Liu, Hai; Guo, Zizhang; Kang, Yan; Li, Yiran; Xu, Jingtao

    2015-01-01

    Highlights: • Glucose and H 3 PO 4 , single or together, were used to modify expanded graphite. • The modified condition was at a low temperature (150 °C). • The properties of EG and the highest adsorption ability modified EG were compared. • G-P-EG has the highest adsorption ability, which is much higher than that of EG. - Abstract: Three kinds of modified expanded graphite (EG), impregnated with phosphoric acid (H 3 PO 4 ) (P-EG), impregnated with glucose (G-EG), and impregnated with H 3 PO 4 and glucose (G-P-EG), were prepared under a low temperature (150 °C). The adsorption capacity of G-P-EG (Q m = 7.016 mg/g) is much higher than original expanded graphite (EG Q m = 0.423 mg/g) and other two kinds of modified expanded graphite (P-EG Q m = 0.770 mg/g; G-EG Q m = 0.507 mg/g). The physicochemical properties of EG and G-P-EG were characterized by N 2 adsorption/desorption, Boehm's titration and X-ray photoelectron spectroscopy (XPS). EG exhibited higher values of BET surface area (11.357 m 2 /g) and total pore volume (0.0303 cm 3 /g) than that of G-P-EG (4.808 m 3 /g and 0.0109 cm 3 /g). However, the results of Bohm's titration and XPS showed that G-P-EG contained more surface oxygen-containing functional groups. The Ni(II) adsorption equilibrium data agreed well with the Langmuir model. And the experimental data of EG and G-P-EG fitted better by pseudo-second order model. Based on the results of batch adsorption experiments and XPS analysis, there were several possible mechanisms for Ni(II) adsorption on the G-P-EG, including chemical adsorption, cation exchange, electrostatic attraction and surface complication.

  9. Synthesis and DNA-interactions of new Co(III), Fe(II), Ni(II), Ru(II ...

    Indian Academy of Sciences (India)

    Administrator

    phen) or a modified phen, are particularly attractive species for developing new diagnostic and therapeutic agents that can recognise and cleave DNA. The ligands or the metal in these complexes can be varied in an easily controlled manner ...

  10. Tetradentate-arm Schiff base derived from the condensation reaction of 3,3′-dihydroxybenzidine, glyoxal/diacetyl and 2-aminophenol: Designing, structural elucidation and properties of their binuclear metal(II complexes

    Directory of Open Access Journals (Sweden)

    E. Akila

    2017-05-01

    Full Text Available The novel binuclear Schiff base complexes were prepared by the reaction of 3,3′-dihydroxybenzidine, glyoxal/diacetyl and 2-aminophenol in 1:2:2 M ratio. The binucleating Schiff base ligand and its complexes of Cu(II, Ni(II and VO(II ions were characterized by elemental analysis, molar conductance, 1H NMR, infrared, electronic spectra, cyclic voltammetry, thermal, magnetic and EPR studies. The low molar conductance values of the complexes support the non-electrolytic in nature. In IR spectra, the comparison of shift in frequency of the complexes with the ligand reveals the coordination of donor atom to the metal atom. The binuclear nature of the complexes is assessed from their magnetic susceptibility values. The electronic and EPR spectra of the metal complexes provide information about the geometry of the complexes and are in good agreement with the proposed square planar geometry for Cu(II, Ni(II and square pyramidal for VO(II complexes. Molecular modeling has been used to suggest the structure of the complexes. The DNA cleavage ability of the complexes was monitored by gel electrophoresis using supercoiled pUC18 DNA. The metal complexes were screened for their antibacterial activities against pathogenic bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae and Bacillus subtilis. The activity data show that the metal complexes are more potent activity than the parent Schiff base ligand against microorganisms.

  11. Unusual Regioselectivity in the Opening of Epoxides by Carboxylic Acid Enediolates

    Directory of Open Access Journals (Sweden)

    José Segura

    2008-06-01

    Full Text Available Addition of carboxylic acid dianions appears to be a potential alternative to the use of aluminium enolates for nucleophilic ring opening of epoxides. These conditions require the use of a sub-stoichiometric amount of amine (10% mol for dianion generation and the previous activation of the epoxide with LiCl. Yields are good, with high regioselectivity, but the use of styrene oxide led, unexpectedly, to a mixture resulting from the attack on both the primary and secondary carbon atoms. Generally, a low diastereoselectivity is seen on attack at the primary center, however only one diastereoisomer was obtained from attack to the secondary carbon of the styrene oxide.

  12. Application of Zr/Ti-Pic in the adsorption process of Cu(II), Co(II) and Ni(II) using adsorption physico-chemical models and thermodynamics of the process; Aplicacao de Zr/Ti-PILC no processo de adsorcao de Cu(II), Co(II) e Ni(II) utilizando modelos fisico-quimicos de adsorcao e termodinamica do processo

    Energy Technology Data Exchange (ETDEWEB)

    Guerra, Denis Lima; Airoldi, Claudio [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica. Dept. de Quimica Inorganica]. E-mail: dlguerra@iqm.unicamp.br; Lemos, Vanda Porpino; Angelica, Romulo Simoes [Universidade Federal do Para (UFPa), Belem (Brazil); Viana, Rubia Ribeiro [Universidade Federal do Mato Grosso (UFMT), Cuiaba (Brazil). Inst. de Ciencias Exatas e da Terra. Dept. de Recursos Minerais

    2008-07-01

    The aim of this investigation is to study how Zr/Ti-Pic adsorbs metals. The physico-chemical proprieties of Zr/Ti-Pic have been optimized with pillarization processes and Cu(II), Ni(II) and Co(II) adsorption from aqueous solution has been carried out, with maximum adsorption values of 8.85, 8.30 and 7.78 x-1 mmol g{sup -1}, respectively. The Langmuir, Freundlich and Temkin adsorption isotherm models have been applied to fit the experimental data with a linear regression process. The energetic effect caused by metal interaction was determined through calorimetric titration at the solid-liquid interface and gave a net thermal effect that enabled the calculation of the exothermic values and the equilibrium constant. (author)

  13. Synthesis, Characterization and Spectral Studies of Noble Heterobinuclear Complexes of Transition Metal Ions and their Biological Activity

    Directory of Open Access Journals (Sweden)

    Netra Pal Singh

    2011-01-01

    Full Text Available Some noble heterobinuclear complexes of transition metal ions with bis(salicylaldehydemalonyl-dihydrazone in the presence of 5-nitroindazole Cu(II / Ni(II- chloride of the type [ML1M‘L2Cl2] or [ML1FeL2Cl2]Cl, where M = Ni(II, Cu(II and M' = Mn(II, Co(II, have been prepared. All the complexes have been characterized by IR, UV vis and EPR spectroscopy, elemental analysis, magnetic moment and molar conductance measurement. Spectral studies and magnetic moment measurement in DMF suggest the covalent nature of the complexes, except the [ML1FeL2Cl2]Cl complex which is 1:1 electrolyte. An octahedral geometry is proposed for M‘ and square planer for M for the heterobinuclear complexes. The low value of magnetic moment and overlapping EPR signals are due to spin crossover since both of the metals have unpaired electrons with same molecular symmetry. The lowering of the magnetic moment has been discussed. The biological activity (antifungal and antibacterial of the represented compounds has been studied.

  14. Synthesis, spectroscopic characterization and antimicrobial activity of mono-, bi- and tri-nuclear metal complexes of a new Schiff base ligand

    Science.gov (United States)

    Shebl, Magdy; Khalil, Saied M. E.; Ahmed, Saleh A.; Medien, Hesham A. A.

    2010-09-01

    Condensation of o-acetoacetylphenol and 1,2-diaminopropane in 1:1 molar ratio under condition of high dilution yielded the mono-condensed dibasic Schiff base ligand with a N 2O 2 donors. The mono-condensed ligand has been used for further condensation with 2-hydroxy-5-nitrobenzaldehyde to obtain the new asymmetrical dicompartmental Schiff base ligand, H 3L, with N 2O 3 donors. The structure of the ligand was elucidated by analytical and spectroscopic tools (IR, 1H and 13C NMR spectra) which indicated that the coordinating sites are oxygen atoms of the phenolic OH groups, nitrogen atoms of the azomethine groups and the oxygen atom of the ketonic group. Reactions of the ligand with metal salts yielded mono- and homo-bi-nuclear complexes formulated as [M(HL)], where M dbnd Co(II), Ni(II) and Cu(II), [Fe(H 2L)Cl 2(H 2O)]ṡ2½H 2O, [Fe 2(HL)(ox)Cl 3(H 2O) 2]ṡ5H 2O, [UO 2(H 2L)(OAc)(H 2O) 2], [VO(H 3L)(SO 4)(H 2O)]ṡH 2O, [M 2(L)Cl(H 2O) 2]ṡ½H 2O, where M dbnd Co(II) and Ni(II) and [Cu(H 2L)Cl]. The mononuclear Ni(II) complex, [Ni(HL)], was used to synthesize homo- and hetero-bi- and tri-nuclear complexes with the molecular formulae [Ni 2(L)Cl(H 2O) 2], [Ni 2(L) 2FeCl(H 2O)]ṡH 2O and [Ni 2(HL) 2CoCl 2]. The structures of the complexes were characterized by various techniques such as elemental and thermal analyses, IR, 1H and 13C NMR, mass and electronic spectra as well as conductivity and magnetic moment measurements. Square-planar and octahedral geometries are suggested for the Cu(II), Co(II) and Ni(II) complexes, octahedral geometry for the Fe(III) and VO 2+ complexes while uranium(VI) ion is octa-coordinated in its complex. The Schiff base and its metal complexes were evaluated for antimicrobial activity against Gram positive bacteria ( Staphylococcus aureus), Gram negative bacteria ( Escherichia coli) and fungi ( Candida albicans and Aspergillus flavus). The ligand and some of its complexes were found to be biologically active.

  15. Synthesis and Structural Studies on Transition Metal Complexes Derived from 4-Hydroxy-4-methyl–2-pentanone-1H-benzimidazol-2-yl-hydrazone

    Directory of Open Access Journals (Sweden)

    M. Neelamma

    2011-01-01

    Full Text Available Transition metal complexes of Cr(III, Fe(III, Mn(II, Co(II, Ni(II, Cu(II and Zn(II with a tridentate ligand, 4-hydroxy-4-methyl-2-pentanone-1H-benzimidazole-2yl-hydrazone (H-HPBH derived from the condensation of 2-hydrazinobenzimidazole and diacetone alcohol was synthesized. Characterization has been done on the basis of analytical, conductance, thermal and magnetic data, infrared, 1H NMR, electronic, mass and ESR spectral data. From analytical and thermal data, the stoichiometry of the complexes has been found to be 1:1 (metal: ligand. Divalent complexes have the general formula [M(HPBHCl(H2O2] in octahedral geometry, [M(HPBHCl] in tetrahedral and square planar stereochemistries and trivalent complexes [M(HPBHCl2(H2O] in octahedral disposition. Infrared spectral data suggest that the ligand HPBH behaves as a monobasic tridentate ligand with N: N: O donor sequence towards the metal ions. On the basis of the above physicochemical data, octahedral, tetrahedral and square planar geometries were assigned for the complexes. The ligand and metal complexes were screened for their physiological activities against E. coli and S. aureus. The order of physiological activity has been found to be Cu(II > Ni(II > Zn(II > Co(II > Cr(III > Mn(II > Fe (III > ligand against E.coli and Ni(II > Cu(II > Zn(II > Mn(II > Cr(III > Fe(III > Co(II > ligand against S. aureus.

  16. Synthesis of non-toxic As and Cr nanoparticles through redox activity of highly flexible layered coordination polymer of Ni(II)

    Science.gov (United States)

    Agarwal, Rashmi A.

    2018-03-01

    A simple method for the sequestration of As(III) and Cr(VI) from water has been demonstrated by utilizing a highly flexible porous coordination polymer (PCP) of Ni(II) in its as synthesized form or without solvent removal. This PCP reduces the high toxicity of As(III) and Cr(VI) ions into non-toxic As(0) and Cr/Cr2O3/CrO2 (zero, tri and tetravalent) nanoparticles (NPs) within its pores, and this is characterized by powder x-ray diffraction, x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy analysis. The high functionality of this polymer is due to the presence of monodentate carboxylate groups of a benzenetricarboxylate linker, which provide anchoring sites to the metal ions of the metal precursors. Due to the highly oxidising nature of these toxic ions, a redox reaction takes place between the framework metal ions and toxic metal ions, which is explained by an electron paramagnetic resonance study. This is the first report to synthesize non-toxic, as well as useful, NPs of As and Cr from their highly toxic ions within the cavities of a PCP for remediation of the toxic waste stream and contaminated waste water.

  17. Simultaneous removal of Ni(II and fluoride from a real flue gas desulfurization wastewater by electrocoagulation using Fe/C/Al electrode

    Directory of Open Access Journals (Sweden)

    Shinian Liu

    2017-09-01

    Full Text Available Large amounts of anions and heavy metals coexist in flue gas desulfurization (FGD wastewater originating from coal-fired power plants, which cause serious environmental pollution. Electrocoagulation (EC with Fe/C/Al hybrid electrodes was investigated for the separation of fluoride and nickel ions from a FGD wastewater. The study mainly focused on the technology parameters including anode electrode type, time, inter-electrode distance (5–40 mm, current density (1.88–6.25 mA/cm2 and initial pH (4–10. The results showed that favorable nickel and fluoride removal were obtained by increasing the time and current density, but this led to an increase in energy consumption. Eighty-six percent of fluoride and 98% of Ni(II were removed by conducting the Fe/C/Al EC with a current density of 5.00 mA/cm2 and inter-electrode distance of 5 mm at pH 4 for 25 min and energy consumption was 1.33 kWh/m3. Concomitant pollutants also achieved excellent treatment efficiency. The Hg, Mn, Pb, Cd, Cu, SS and chemical oxygen demand were reduced by 90%, 89%, 92%, 88%, 98%, 99.9% and 89%, respectively, which met stringent environmental regulations.

  18. Simultaneous removal of Ni(II), As(III), and Sb(III) from spiked mine effluent with metakaolin and blast-furnace-slag geopolymers.

    Science.gov (United States)

    Luukkonen, Tero; Runtti, Hanna; Niskanen, Mikko; Tolonen, Emma-Tuulia; Sarkkinen, Minna; Kemppainen, Kimmo; Rämö, Jaakko; Lassi, Ulla

    2016-01-15

    The mining industry is a major contributor of various toxic metals and metalloids to the aquatic environment. Efficient and economical water treatment methods are therefore of paramount importance. The application of natural or low-cost sorbents has attracted a great deal of interest due to the simplicity of its process and its potential effectiveness. Geopolymers represent an emerging group of sorbents. In this study, blast-furnace-slag and metakaolin geopolymers and their raw materials were tested for simultaneous removal of Ni(II), As(III) and Sb(III) from spiked mine effluent. Blast-furnace-slag geopolymer proved to be the most efficient of the studied materials: the experimental maximum sorption capacities for Ni, As and, Sb were 3.74 mg/g, 0.52 mg/g, and 0.34 mg/g, respectively. Although the capacities were relatively low due to the difficult water matrix, 90-100% removal of Ni, As, and Sb was achieved when the dose of sorbent was increased appropriately. Removal kinetics fitted well with the pseudo-second-order model. Our results indicate that geopolymer technology could offer a simple and effective way to turn blast-furnace slag to an effective sorbent with a specific utilization prospect in the mining industry. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Synthesis, Crystal Structure, and Magnetic Properties of a New Mixed Metal (Co(II, Ni(II Cubane

    Directory of Open Access Journals (Sweden)

    Ramadan Mohamed Elmehdawi

    2017-02-01

    Full Text Available The mixed Co(II/Ni(II complex, [Co2.67Ni1.33L4(CH3COO2][BPh4]2·0.75H2O where HL = 4-(salicylaldimineantipyrine, was isolated as an orange solid from the reaction of 4-(salicylaldimineantipyrine, with mixed cobalt(II acetate and nickel(II acetate in ethanol. The complex was characterized by Frustrated Total Internal Reflection (FTIR, UltraViolet Visible spectroscopy (UV-Vis, X-ray single crystal diffraction, and by elemental analysis. The complex is composed of two symmetry independent cationic units, A and B. The two units are essentially isostructural; nevertheless, small differences exist between them. The units contain four metal atoms, arranged at the corners of a distorted cubane-like core alternately with phenoxy oxygen of the Schiff base. The overall eight corners occupied by metal ions in the asymmetric unit are shared between cobalt and nickel in a 5.33:2.67 ratio. Each metal divalent cation binds three coordinated sites from the corresponding tridentate Schiff base ligand, the fourth one is bound by the acetate oxygen, the fifth and the sixth donor sites come from the phenolate oxygens of other Schiff base ligands. Intermolecular hydrogen bonds join the complexes to the water molecules present in the crystal packing. The magnetic characterization was carried out for this new complex and for its isostructural counterpart containing only cobalt ions. The magnetic measurements for the cobalt(II/nickel(II mixed compound indicate either antiferromagnetic interactions among the two cubanes or an anisotropic contribution, whereas a ferromagnetic interaction is observed within the cubane, for both the complexes, as expected by geometrical considerations. A comparison between the magnetic properties of the pure cobalt(II derivative and similar systems discussed in literature, is presented.

  20. Multi-Nuclear NMR Investigation of Nickel(II), Palladium(II), Platinum(II) and Ruthenium(II) Complexes of an Asymmetrical Ditertiary Phosphine

    Energy Technology Data Exchange (ETDEWEB)

    Raj, Joe Gerald Jesu [Institut National de la Recherche Scientifique, Quebec (China); Pathak, Devendra Deo [Indian School of Mines, Dhanbad (India); Kapoor, Pramesh N. [Univ. of Delhi, Delhi (India)

    2013-12-15

    Complexes synthesized by reacting alkyl and aryl phosphines with different transition metals are of great interest due to their catalytic properties. Many of the phosphine complexes are soluble in polar solvents as a result they find applications in homogeneous catalysis. In our present work we report, four transition metal complexes of Ni(II), Pd(II), Pt(II) and Ru(II) with an asymmetrical ditertiaryphosphine ligand. The synthesized ligand bears a less electronegative substituent such as methyl group on the aromatic nucleus hence makes it a strong σ-donor to form stable complexes and thus could effectively used in catalytic reactions. The complexes have been completely characterized by elemental analyses, FTIR, {sup 1}HNMR, {sup 31}PNMR and FAB Mass Spectrometry methods. Based on the spectroscopic evidences it has been confirmed that Ni(II), Pd(II) and Pt(II) complexes with the ditertiaryphosphine ligand showed cis whereas the Ru(II) complex showed trans geometry in their molecular structure.

  1. Synthesis, Characterization, and Biological Activity of Nickel (II and Palladium (II Complex with Pyrrolidine Dithiocarbamate (PDTC

    Directory of Open Access Journals (Sweden)

    Sk Imadul Islam

    2016-01-01

    Full Text Available The synthesis of square planar Ni(II and Pd(II complexes with pyrrolidine dithiocarbamate (PDTC was characterized by elemental, physiochemical, and spectroscopic methods. Two complexes were prepared by the reaction of nickel acetate and palladium acetate with pyrrolidine dithiocarbamate (PDTC in 1 : 2 molar ratio. The bovine serum albumin (BSA interaction with complexes was examined by absorption and fluorescence spectroscopic techniques at pH 7.4. All the spectral data suggest that coordination of the pyrrolidine dithiocarbamate (PDTC takes place through the two sulphur atoms in a symmetrical bidentate fashion. All the synthesized compounds were screened for their antimicrobial activity against some species of pathogenic bacteria (Escherichia coli, Vibrio cholerae, Streptococcus pneumonia, and Bacillus cereus. It has been observed that complexes have higher activity than the free ligand.

  2. Synthesis, characterization and biological activity of transition metal complexes with Schiff bases derived from 2-nitrobenzaldehyde with glycine and methionine

    Science.gov (United States)

    Singh, Bibhesh K.; Rajour, Hemant K.; Prakash, Anant

    Schiff bases derived from 2-nitrobenzaldehyde with amino acids (glycine, methionine) and their Co(II), Ni(II) and Cu(II) complexes have been synthesized and characterized by various physico-chemical techniques. From spectral studies, it has been concluded that the ligands acts as bidentate molecule, coordinates metal through azomethine nitrogen and carboxylate oxygen. Mass spectrum explains the successive degradation of the molecular species in solution and justifies ML2 complexes. X-ray powder diffraction helps to determine the cell parameters of the complexes. Molecular structure of the complexes has been optimized by MM2 calculations and suggests a square planar geometry. The ligands and their metal complexes have been tested in vitro against Streptococcus, Staph, Staphylococcus aureus and Escherchia coli bacteria in order to assess their antibacterial potential. The results indicate that the biological activity increases on complexation.

  3. Synthesis and characterization of new dn metal complexes with 4,4'-bipyridine and formates

    International Nuclear Information System (INIS)

    Czakis-Sulikowska, D.; Radwanska-Doczekalska, J.; Markiewicz, M.

    2003-01-01

    New mixed-ligand complexes of the stoichiometric formulae: Mn(4-bpy) 2 (HCOO) 2 ·2H 2 O, Co(4-bpy) 2 (HCOO) 2 ·H 2 O, Ni(4-bpy) 2 (HCOO) 2 ·4H 2 O, Cu(4-bpy) 2 (HCOO) 2 ·H 2 O, Zn 2 (4-bpy) 3 (HCOO) 4 , Cd(4-bpy) 3 (HCOO) 2 (where 4-bpy = 4,4'-bipyridine) have been isolated in pure state. The IR and VIS spectra (for compounds Co(II), Ni(II), Cu(II)), molar conductivity measurements and other physical properties of these compounds are discussed. Thermal behaviour of all compounds was studied by means of DTA, DTG, TG techniques under static conditions in air. The resultant final products were the metal oxide in all cases. A coupled TG-MS system was used to analysis of principal volatile thermal decomposition (or fragmentation) products of Co(II) and Ni(II) complexes. The principal volatile mass fragments correspond to: C + , OH + , H 2 O + , NO + , CO 2 + and other. (author)

  4. Concentration of ions Co(II), Ni(II) at the Tokem-250 carboxylic cation exchange for catalysts development

    Science.gov (United States)

    Zharkova, Valentina; Bobkova, Ludmila; Brichkov, Anton; Kozik, Vladimir

    2017-11-01

    Sorption and catalytic properties of the cation exchanger are investigated. It was found that the Tokem-250 has a wide operating range of pH. The value of the effective ionization constant of the functional groups of the cation exchanger (pKa) is 6.59. The Tokem-250 cation exchanger exhibits selectivity to Ni2+ ions to Co2+ (D˜103). This is probably due to the stability of ion-exchange complexes detected by the method of diffuse reflectance electron spectroscopy (ESDD). According to these data, for Co2+ ions, in contrast to Ni2+, tetragonal distortion of octahedral coordination is characteristic, which has a positive effect on the stability of complexes with Co2+. To obtain spherical catalysts on the basis of Tokem-250, cobalt-containing samples of cation exchanger were used. The developed spherical materials have catalytic activity in the reactions of deep and partial oxidation of n-heptane.

  5. Rates of nickel(II) capture from complexes with NTA, EDDA, and related tetradentate chelating agents by the hexadentate chelating agents EDTA and CDTA: Evidence of a "semijunctive" ligand exchange pathway

    Science.gov (United States)

    Boland, Nathan E.; Stone, Alan T.

    2017-09-01

    Many siderophores and metallophores produced by soil organisms, as well as anthropogenic chelating agent soil amendments, rely upon amine and carboxylate Lewis base groups for metal ion binding. UV-visible spectra of metal ion-chelating agent complexes are often similar and, as a consequence, whole-sample absorbance measurements are an unreliable means of monitoring the progress of exchange reactions. In the present work, we employ capillary electrophoresis to physically separate Ni(II)-tetradentate chelating agent complexes (NiL) from Ni(II)-hexadentate chelating agent complexes (NiY) prior to UV detection, such that progress of the reaction NiL + Y → NiY + L can be conveniently monitored. Rates of ligand exchange for Ni(II) are lower than for other +II transition metal ions. Ni(II) speciation in environmental media is often under kinetic rather than equilibrium control. Nitrilotriacetic acid (NTA), with three carboxylate groups all tethered to a central amine Lewis base group, ethylenediamine-N,N‧-diacetic acid (EDDA), with carboxylate-amine-amine-carboxylate groups arranged linearly, plus four structurally related compounds, are used as tetradentate chelating agents. Ethylenediaminetetraacetic acid (EDTA) and the structurally more rigid analog trans-cyclohexaneethylenediaminetetraacetic acid (CDTA) are used as hexadentate chelating agents. Effects of pH and reactant concentration are explored. Ni(II) capture by EDTA was consistently more than an order of magnitude faster than capture by CDTA, and too fast to quantify using our capillary electrophoresis-based technique. Using NiNTA as a reactant, Ni(II) capture by CDTA is independent of CDTA concentration and greatly enhanced by a proton-catalyzed pathway at low pH. Using NiEDDA as reactant, Ni(II) capture by CDTA is first order with respect to CDTA concentration, and the contribution from the proton-catalyzed pathway diminished by CDTA protonation. While the convention is to assign either a disjunctive

  6. Synthesis and characterization of novel M(II) (M = Mn(II), Ni(II), Cu(II ...

    African Journals Online (AJOL)

    DMF.0.4H2O} (2), {[Cu2(H2L)2(µ-Cl)2].DMF} (3) and [Zn(H2L)2] (4) have been isolated and characterized by IR, UV-Visible spectroscopy, elemental analysis and X-ray crystal diffraction. Structural studies reveal that the mononuclear complexes (1), (2) and (4) adopt highly distorted octahedral geometries while the dinuclear ...

  7. Stability Constants of Mixed Ligand Complexes of Transition Metal(II Ions with Salicylidene-4-methoxyaniline as Primary Ligand and 5-Bromosalicylidene-4-nitroaniline as Secondary Ligand

    Directory of Open Access Journals (Sweden)

    N. G. Nadkarni

    2011-01-01

    Full Text Available Binary and ternary complexes of the type M-Y and M-X-Y [M = Mn(II, Ni(II, Cu(II and Zn(II; X = salicylidene-4-methoxyaniline and Y=5-bromosalicylidene-4-nitroaniline] have been examined pH-metrically at 27±0.5 °C and at constant ionic strength, μ= 0.1 M (KCl in 75 : 25(v/v 1,4-dioxne-water medium. The stability constants for binary (M-Y and ternary (M-X-Y systems were calculated. The relative stability (Δ log KT values of the ternary complexes with corresponding binary complexes for all the metal(II ions in the present study found to be negative indicating that ternary 1:1:1 (M-X-Y complexes are less stable than binary 1:1 (M-Y complexes. In the ternary system studied, the order of stability constants of mixed ligand complexes with respect to the metal ions was found to be Cu(II > NI(II > Mn(II > Zn(II; which is same as in the corresponding binary (M-Y systems.

  8. Synthesis, spectroscopic and biological studies of transition metal complexes of novel schiff bases derived from cephradine and sugars

    International Nuclear Information System (INIS)

    Naz, N.; Iqbal, M.Z.

    2011-01-01

    Fe(II), Co(II) and Ni(II) metal complexes of novel schiff bases derived from Cephradine and sugars (D-Glucose, L. Arabinose and D-Galactose) were synthesized and characterized by elemental analysis, magnetic susceptibility, thermal analysis, electronic absorption and FT-IR spectral studies. It has been found that schiff bases behave as bi-dentate-ligands forming complexes with 1:2 (metal:ligand) stoichiometry. the neutral nature of the complexes was confirmed by their low conductance values. The biological activities of complexes have been evaluated against two gram negative (Escherichia coli and Pseudomonas aeruginosa) and two gram positive (Bacillus subtilis and staphylococcus aureus) bacteria by Agar diffusion disc method. It has been found that the complexes have higher activity as compared to the pure Cephradine against the same bacteria. (author)

  9. Structure, Spectra, and DFT Simulation of Nickel Benzazolate Complexes with Tris(2-aminoethyl)amine Ligand.

    Science.gov (United States)

    Cerezo, Javier; Requena, Alberto; Zúñiga, José; Piernas, María José; Santana, M Dolores; Pérez, José; García, Luís

    2017-03-20

    Benzazolate complexes of Ni(II), [Ni(pbz)(tren)]ClO 4 (pbz = 2-(2'-hydroxyphenyl)-benzimidazole (pbm), 1, 2-(2'-hydroxyphenyl)-benzoxazole (pbx), 2, 2-(2'-hydroxyphenyl)-benzothiazole (pbt), 3; tren = tris(2-aminoethyl)amine), are prepared by self-assembly reaction and structurally characterized. Theoretical DFT simulations are carried out to reproduce the features of their crystal structures and their spectroscopic and photophysic properties. The three complexes are moderately luminescent at room temperature both in acetonitrile solution and in the solid state. The simulations indicate that the absorption spectrum is dominated by two well-defined transitions, and the electronic density concentrates in three MOs around the benzazole ligands. The Stokes shifts of the emission spectra of complexes 1-3 are determined by optimizing the electronic excited state.

  10. Metal complexes as antibacterial agents: Synthesis, characterization and antibacterial activity of some 3d metal complexes of sulphadimidine

    Directory of Open Access Journals (Sweden)

    Adedibu Clement Tella

    2010-06-01

    Full Text Available Metal complexes of Sulphadimidine(SAD were synthesized.The complexes were formulated as [Co(SAD2Cl2], [Cu(SAD2 (H2O2], [Ni (SAD2 Cl2 H2O], [Cd (SAD2 Br2], [Fe (SAD3](H­2O­3 and [Mn (SAD2Cl2] characterized by elemental Analysis, conductivity, IR , UV-Vis, Magnet moment and 1H-NMR and Mass spectroscopies. Co(II, Mn (II,  and Ni(II sulphadimidine complexes consist of metal ion which coordinates through amino nitrogen of the terminal NH2 group and oxygen of sulfonamidic group of the two molecules of sulphadimidine ligand and two halide ions to form octahedral structure while Cd(II coordinates with sulphadimidine through amino nitrogen of the terminal NH2 group with two bromine ions to complete tetrahedral structure. In Cu(II sulphadimidine complex, copper ion coordinates through both pyrimidinic nitrogen (heterocyclic nitrogen and sulfonamidic nitrogen of the two molecules of sulphadimidine. Fe(III coordinates to three molecules of sulphadimidine through heterocyclic nitrogen (pyrimidinic nitrogen and sulfonamidic nitrogen,with three molecules of water outside the coordination sphere. Both Fe(III and Cu(II complexes exhibit octahedral geometry. The antibacterial activity of the complexes and the ligands was investigated against Esherichia coli,  Staphylococcus aureus and Klebsiella pneumonia .  The data obtained revealed that the complexes showed greater activity against the three micro-organisms when compared to parent compound. Stability constant of the complexes were evaluated for the metal salts, the order of stability constant b was found to be Cu (II > Fe (III >Ni(II> Co (II > Cd (II.The values of stability constant (b was found to be log 6.31, 5.93, 5.29, 4.63 and 3.92, respectively. The stability constant data revealed that this ligand may be used as antidote or chelating agent for medical treatment of metals overload or poisoning.

  11. Synthesis, characterization of 1,2,4-triazole Schiff base derived 3d-metal complexes: Induces cytotoxicity in HepG2, MCF-7 cell line, BSA binding fluorescence and DFT study

    Science.gov (United States)

    Tyagi, Prateek; Tyagi, Monika; Agrawal, Swati; Chandra, Sulekh; Ojha, Himanshu; Pathak, Mallika

    2017-01-01

    Two novel Schiff base ligands H2L1 and H2L2 have been synthesized by condensation reaction of amine derivative of 1,2,4-triazole moiety with 2-hydroxy-4-methoxybenzaldehyde. Co(II), Ni(II), Cu(II) and Zn(II) of the synthesized Schiff bases were prepared by using a molar ratio of ligand:metal as 1:1. The structure of the Schiff bases and synthesized metal complexes were established by 1H NMR, UV-Vis, IR, Mass spectrometry and molar conductivity. The thermal stability of the complexes was study by TGA. Fluorescence quenching mechanism of metal complexes 1-4 show that Zn(II) and Cu(II) complex binds more strongly to BSA. In DFT studies the geometries of Schiff bases and metal complexes were fully optimized with respect to the energy using the 6-31 + g(d,p) basis set. The spectral data shows that the ligands behaves as binegative tridentate. On the basis of the spectral studies, TGA and DFT data an octahedral geometry has been assigned for Co(II), Ni(II), square planar for Cu(II) and tetrahedral for Zn(II) complexes. The anticancer activity were screened against human breast cancer cell line (MCF-7) and human hepatocellular liver carcinoma cell line (Hep-G2). Result indicates that metal complexes shows increase cytotoxicity in proliferation to cell lines as compared to free ligand.

  12. Synthesis, spectroscopic characterization, electrochemistry and biological evaluation of some binuclear transition metal complexes of bicompartmental ONO donor ligands containing benzo[b]thiophene moiety

    Science.gov (United States)

    Mahendra Raj, K.; Vivekanand, B.; Nagesh, G. Y.; Mruthyunjayaswamy, B. H. M.

    2014-02-01

    A series of new binucleating Cu(II), Co(II), Ni(II) and Zn(II) complexes of bicompartmental ligands with ONO donor were synthesized. The ligands were obtained by the condensation of 3-chloro-6-substituted benzo[b]thiophene-2-carbohydrazides and 4,6-diacetylresorcinol. The synthesized ligands and their complexes were characterized by elemental analysis and various spectroscopic techniques. Elemental analysis, IR, 1H NMR, ESI-mass, UV-Visible, TG-DTA, magnetic measurements, molar conductance and powder-XRD data has been used to elucidate their structures. The bonding sites are the oxygen atom of amide carbonyl, azomethine nitrogen and phenolic oxygen for ligands 1 and 2. The binuclear nature of the complexes was confirmed by ESR spectral data. TG-DTA studies for some complexes showed the presence of coordinated water molecules and the final product is the metal oxide. All the complexes were investigated for their electrochemical activity, only the Cu(II) complexes showed the redox property. Cu(II) complexes were square planar, whereas Co(II), Ni(II) and Zn(II) complexes were octahedral. Powder-XRD pattern have been studied in order to test the degree of crystallinity of the complexes and unit cell calculations were made. In order to evaluate the effect of antimicrobial activity of metal ions upon chelation, both the ligands and their metal complexes were screened for their antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The results showed that the metal complexes were found to be more active than free ligands. The DNA cleaving capacities of all the complexes were analyzed by agarose gel electrophoresis method against supercoiled plasmid DNA. Among the compounds tested for antioxidant capacity, ligand 1 displayed excellent activity than its metal complexes.

  13. Synthesis, characterization, anti-microbial, DNA binding and cleavage studies of Schiff base metal complexes

    Directory of Open Access Journals (Sweden)

    Poomalai Jayaseelan

    2016-09-01

    Full Text Available A novel Schiff base ligand has been prepared by the condensation between butanedione monoxime with 3,3′-diaminobenzidine. The ligand and metal complexes have been characterized by elemental analysis, UV, IR, 1H NMR, conductivity measurements, EPR and magnetic studies. The molar conductance studies of Cu(II, Ni(II, Co(II and Mn(II complexes showed non-electrolyte in nature. The ligand acts as dibasic with two N4-tetradentate sites and can coordinate with two metal ions to form binuclear complexes. The spectroscopic data of metal complexes indicated that the metal ions are complexed with azomethine nitrogen and oxyimino nitrogen atoms. The binuclear metal complexes exhibit octahedral arrangements. DNA binding properties of copper(II metal complex have been investigated by electronic absorption spectroscopy. Results suggest that the copper(II complex bind to DNA via an intercalation binding mode. The nucleolytic cleavage activities of the ligand and their complexes were assayed on CT-DNA using gel electrophoresis in the presence and absence of H2O2. The ligand showed increased nuclease activity when administered as copper complex and copper(II complex behave as efficient chemical nucleases with hydrogen peroxide activation. The anti-microbial activities and thermal studies have also been studied. In anti-microbial activity all complexes showed good anti-microbial activity higher than ligand against gram positive, gram negative bacteria and fungi.

  14. A metal-organic framework nanocomposite made from functionalized magnetite nanoparticles and HKUST-1 (MOF-199) for preconcentration of Cd(II), Pb(II), and Ni(II)

    International Nuclear Information System (INIS)

    Ghorbani-Kalhor, Ebrahim

    2016-01-01

    The author describes the preparation of a magnetic metal organic framework of type MOF-199 containing magnetite (Fe 3 O 4 ) nanoparticles carrying covalently immobilized 4-(thiazolylazo) resorcinol (Fe 3 O 4 -TAR). This material is shown to represent a viable sorbent for separation and preconcentration of Cd(II), Pb(II), and Ni(II) ions. Box-Behnken design was applied to optimize the parameters affecting preconcentration. Following elution with 0.6 mol L −1 EDTA, the ions were quantified by FAAS. The capacity of the sorbent ranged between 185 and 210 mg g −1 . The limits of detection are 0.15, 0.40, and 0.8 ng mL −1 for Cd(II), Ni(II), and Pb(II) ions, respectively. The relative standard deviations are <8.5 %. The method was successfully applied to the rapid extraction of trace amounts of these ions from sea food and agri food. (author)

  15. Copper(II), cobalt(II) and nickel(II) complexes of lapachol: synthesis, DNA interaction, and cytotoxicity.

    Science.gov (United States)

    Tabrizi, Leila; Talaie, Faranak; Chiniforoshan, Hossein

    2017-11-01

    Three novel copper(II), cobalt(II), and nickel(II) complexes of lapachol (Lap) containing 110-phenanthroline (phen) ligand, [M(Lap) 2 (phen)] (M=Cu(II), 1, Co(II), 2, and Ni(II), 3), have been synthesized and characterized using, elemental analysis and spectroscopic studies. Their interactions with calf thymus DNA (CT DNA) were investigated using viscosity, thermal denaturation, circular dichorism, fluorescence quenching, and electronic absorption spectroscopy. The DNA cleavage abilities of 1-3 have been studied, where cleavage activity of copper complex 1 is more than the complexes 2 and 3. The in vitro cytotoxic potential of the complexes 1-3 against human cervical carcinoma (HeLa), human liver hepatocellular carcinoma (HepG-2), and human colorectal adenocarcinoma (HT-29) cells indicated their promising antitumor activity with quite low IC 50 values in the range of .15-2.41 μM, which are lower than those of cisplatin.

  16. Studies in stability constants of schiff base hydrazone complexes with transition metal ions. Effect of ligand on seed germination

    Science.gov (United States)

    Meshram, U. P.; Pethe, G. B.; Yaul, A. R.; Khobragade, B. G.; Narwade, M. L.

    2017-10-01

    Spectrophotometric investigation of Cu (II), Ni(II), Co(II), and Fe(III) complexes with 2,4-dihydroxyacetophonone 2,4-dichlorobenzoylhydrazone (H2L1) and 2,4-didydroxy-5-nitroacetophenone 2,4-dichlorobenzoylhydrazone (H2L2) shows 1: 1 and 1: 2 complex formation between the pH range of 3.0 to 6.0 and also studied by jobs variation method at 0.1 M ionic strength at 30 ± 1°C specrtophotometrically. The conditional stability constants are determined for 1: 1 complexes. Effect of H2L1 and H2L2 ligand and its complexes on seed germination is studied.

  17. One-pot synthesis of a new 2-substituted 1,2,3-triazole 1-oxide derivative from dipyridyl ketone and isonitrosoacetophenone hydrazone: Nickel(II) complex, DNA binding and cleavage properties.

    Science.gov (United States)

    Gup, Ramazan; Erer, Oktay; Dilek, Nefise

    2017-04-01

    An efficient and simple one-pot synthesis of a new 1,2,3-triazole-1-oxide via reaction between isonitrosoacetophenone hydrazone and dipyridyl ketone in the EtOH/AcOH at room temperature has been developed smoothly in high yield. The reaction proceeds via metal salt free, in-situ formation of asymmetric azine followed by cyclization to provide 1,2,3-triazole 1-oxide compound. It has been structurally characterized. The 1:1 ratio reaction of the 1,2,3-triazole 1-oxide ligand with nickel(II) chloride gives the mononuclear complex [Ni(L)(DMF)Cl 2 ], hexa-coordinated within an octahedral geometry. Characterization of the 1,2,3-triazole compound and its Ni(II) complex with FTIR, 1 H and 13 C NMR, UV-vis and elemental analysis also confirms the proposed structures of the compounds. The interactions of the compounds with Calf thymus DNA (CT-DNA) have been investigated by UV-visible spectra and viscosity measurements. The results suggested that both ligand and Ni(II) complex bind to DNA in electrostatic interaction and/or groove binding, also with a slight partial intercalation in the case of ligand. DNA cleavage experiments have been also investigated by agarose gel electrophoresis in the presence and absence of an oxidative agent (H 2 O 2 ). Both 1,2,3-triazole 1-oxide ligand and its nickel(II) complex show nuclease activity in the presence of hydrogen peroxide. DNA binding and cleavage affinities of the 1,2,3-triazole 1-oxide ligand is stronger than that of the Ni(II) complex. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. Synthesis, spectroscopic characterization, antimicrobial and antitumor studies of mono-, bi- and tri-nuclear metal complexes of a new Schiff base ligand derived from o-acetoacetylphenol

    Science.gov (United States)

    Adly, Omima M. I.; Shebl, Magdy; El-Shafiy, Hoda F.; Khalil, Saied M. E.; Taha, A.; Mahdi, Mohammed A. N.

    2017-12-01

    New mono-, bi- and trinuclear metal complexes of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and UO2(VI) with a new Schiff base ligand H3L; ((E)-2-hydroxy-N‧-(4-(2-hydroxyphenyl)-4-oxobutan-2-ylidene)) benzohydrazide (H3L) have been synthesized. The ligand and its metal complexes were characterized by elemental analyses, IR, 1H NMR, electronic, ESR and mass spectra, conductivity and magnetic susceptibility measurements as well as thermal analyses. The metal complexes exhibited octahedral and tetrahedral geometrical arrangements. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages have been evaluated using Coats-Redfern equations. Structural parameters of the synthesized compounds were calculated on the basis of DFT level implemented in the Gaussian 09 program and Hyperchem 7.52 and correlated with the experimental data. The antimicrobial activity of the present compounds was screened against Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis), Gram-negative bacteria (Salmonella typhimurium and Escherichia coli), yeast (Candida albicans) and fungus (Aspergillus fumigatus). The antitumor activity of the ligand and its Ni(II) and Cu(II) complexes was investigated against HepG2 cell line.

  19. Detection of DNA hybridization by various spectroscopic methods using the copper tetraphenylporphyrin complex as a probe

    International Nuclear Information System (INIS)

    Gong, H.; Cai, C.; Ma, Y.; Chen, X.

    2012-01-01

    We are presenting new and highly sensitive hybridization assays. They are based on various spectroscopic methods including resonance light scattering, circular dichroism, ultraviolet spectra and fluorescence spectra, as well as atomic force microscopy, and relies on the interaction of the Cu(II), Ni(II), Mg(II), Co(II), Cd(II), and Zn(II) complexes, respectively, of tetraphenylporphyrin (TPP) with double-strand DNA (dsDNA) and single strand DNA (ssDNA). The interaction results in amplified resonance light scattering (RLS) signals and enables the detection of hybridization without the need for labeling DNA. The RLS signals are strongest in case of the Cu (II)-TPP complex which therefore was selected as the probe. The technique is simple, robust, accurate, and can be completed in less than one hour. (author)

  20. Antioxidant, electrochemical, thermal, antimicrobial and alkane oxidation properties of tridentate Schiff base ligands and their metal complexes

    Science.gov (United States)

    Ceyhan, Gökhan; Çelik, Cumali; Uruş, Serhan; Demirtaş, İbrahim; Elmastaş, Mahfuz; Tümer, Mehmet

    2011-10-01

    In this study, two Schiff base ligands (HL 1 and HL 2) and their Cu(II), Co(II), Ni(II), Pd(II) and Ru(III) metal complexes were synthesized and characterized by the analytical and spectroscopic methods. Alkane oxidation activities of the metal complexes were studied on cyclohexane as substrate. The ligands and their metal complexes were evaluated for their antimicrobial activity against Corynebacterium xerosis, Bacillus brevis, Bacillus megaterium, Bacillus cereus, Mycobacterium smegmatis, Staphylococcus aureus, Micrococcus luteus and Enterococcus faecalis (as Gram-positive bacteria) and Pseudomonas aeruginosa, Klebsiella pneumoniae, Escherichia coli, Yersinia enterocolitica, Klebsiella fragilis, Saccharomyces cerevisiae, and Candida albicans (as Gram-negative bacteria). The antioxidant properties of the Schiff base ligands were evaluated in a series of in vitro tests: 1,1-diphenyl-2-picrylhydrazyl (DPPH rad ) free radical scavenging and reducing power activity of superoxide anion radical generated non-enzymatic systems. Electrochemical and thermal properties of the compounds were investigated.

  1. Synthesis and characterization of palladium(II) and nickel(II) alcoholate-functionalized NHC complexes and of mixed nickel(II)-lithium(I) complexes.

    Science.gov (United States)

    Hameury, Sophie; de Frémont, Pierre; Breuil, Pierre-Alain R; Olivier-Bourbigou, Hélène; Braunstein, Pierre

    2014-05-19

    The synthesis of Pd(II) and Ni(II) alcohol-functionalized N-heterocyclic carbene (NHC) complexes was explored to examine the possible influence of the functional arm attached to the NHC backbone on their structure and reactivity and, in the case of a Ni(II) complex, on its catalytic properties in ethylene oligomerization. Starting from the alcohol-functionalized imidazolium salt [ImDiPP(C2OH)]Cl (2), the new functionalized NHC palladium(II) complex [PdCl(acac){ImDiPP(C2OH)-CNHC}] (3) was synthesized and fully characterized. Two byproducts, [PdCl{μ-ImDiPP(C2O)-CNHC,O}]2 (4) and trans-[PdCl2{ImDiPP(C2OH)-CNHC}2] (5), formed during the synthesis of 3, were also fully characterized. Acids promoted the transformation of 3 into the new CNHC-bound complex [PdCl(μ-Cl){ImDiPP(C2OH)-CNHC}]2 (6), unveiling the lability of the acac ligand and the resistance of the Pd-NHC bond to acids. Complex 6 reacted with a base to afford complex 4, in which alkoxide coordination to Pd(II) has occurred to generate a CNHC,O chelate. The stability of 3 was also assessed under basic conditions, and the new complex [Pd(acac){ImDiPP(C2O)-CNHC,O}] (7) was characterized. The new nickel(II) alcoholate-functionalized NHC complex [NiCl{μ-ImDiPP(C2O)-CNHC,O}]2 (8) was synthesized by the reaction of the imidazolium salt 2 with n-BuLi and [NiCl2(dme)]. The reaction of 8 with HCl regenerates the imidazolium and alcohol functions to give [ImDiPP(C2OH)]2[NiCl4] (9). The mixed-metal Ni(II)-Li(I) complexes [Ni2{μ-ImDiPP(C2O)-CNHC,μ-O}4Li]BF4 (10), [Ni2{μ-ImDiPP(C2O)-CNHC,μ-O}4Li]Cl (11), and [Ni{ImDiPP(C2O)-CNHC,μ-O}2LiBr] (12) were isolated and characterized. However, it was not possible to synthesize a Ni(II) alcohol-functionalized NHC complex in high yield. Small amounts of the square-planar complex [NiCl2{ImDiPP(C2OH)-CNHC}2] (13) could be isolated, and this complex was characterized by single-crystal X-ray diffraction. In 13, only the CNHC atom of the alcohol-functionalized NHC ligand is bound

  2. Deposition of exchange-coupled dinickel complexes on gold substrates utilizing ambidentate mercapto-carboxylato ligands

    Directory of Open Access Journals (Sweden)

    Martin Börner

    2017-07-01

    Full Text Available The chemisorption of magnetically bistable transition metal complexes on planar surfaces has recently attracted increased scientific interest due to its potential application in various fields, including molecular spintronics. In this work, the synthesis of mixed-ligand complexes of the type [NiII2L(L’](ClO4, where L represents a 24-membered macrocyclic hexaazadithiophenolate ligand and L’ is a ω-mercapto-carboxylato ligand (L’ = HS(CH25CO2− (6, HS(CH210CO2− (7, or HS(C6H42CO2− (8, and their ability to adsorb on gold surfaces is reported. Besides elemental analysis, IR spectroscopy, electrospray ionization mass spectrometry (ESIMS, UV–vis spectroscopy, and X-ray crystallography (for 6 and 7, the compounds were also studied by temperature-dependent magnetic susceptibility measurements (for 7 and 8 and (broken symmetry density functional theory (DFT calculations. An S = 2 ground state is demonstrated by temperature-dependent susceptibility and magnetization measurements, achieved by ferromagnetic coupling between the spins of the Ni(II ions in 7 (J = +22.3 cm−1 and 8 (J = +20.8 cm−1; H = −2JS1S2. The reactivity of complexes 6–8 is reminiscent of that of pure thiolato ligands, which readily chemisorb on Au surfaces as verified by contact angle, atomic force microscopy (AFM and spectroscopic ellipsometry measurements. The large [Ni2L] tail groups, however, prevent the packing and self-assembly of the hydrocarbon chains. The smaller film thickness of 7 is attributed to the specific coordination mode of the coligand. Results of preliminary transport measurements utilizing rolled-up devices are also reported.

  3. Aplicación de Líquidos Iónicos para la hidroaminación homogénea de olefinas catalizada por Complejos de Ni(II

    Directory of Open Access Journals (Sweden)

    Edith Marcela Erira

    2009-04-01

    Full Text Available Los líquidos iónicos son excelentes medios para reacciones catalíticas, debido a que pueden ser utilizados para optimizar y/o reciclar los catalizadores homogéneos. En este trabajo se describe el uso de varios líquidos iónicos de bajo punto de fusión (-30 – -34 °C – basados en derivados de la piridina – para utilizarlos en la hidroaminación de olefinas activadas, catalizada por complejos de Ni(II. El catalizador [Ni(Pigiphos(NCCH3](ClO42 presenta buena actividad cuándo el medio de reacción es un líquido iónico (TON hasta 172 y el sistema catalizador/líquido iónico se puede reciclar por lo menos 2 veces.

  4. Synthesis, crystallographic and spectral studies of homochiral cobalt(II) and nickel(II) complexes of a new terpyridylaminoacid ligand

    Science.gov (United States)

    Wang, Xing; Gao, Chang-Qing; Gao, Zhi-Yang; Wu, Ben-Lai; Niu, Yun-Yin

    2018-04-01

    Based on a chiral terpyridylaminoacid ligand, a series of homochiral Co(II) and Ni(II) complexes, namely, [Co(H2L)(HL)]·Cl·(PF6)2·2H2O (1), [Ni(H2L)(HL)]·Cl·(PF6)2 (2), [Co2(L)2(CH3OH)(H2O)]·(PF6)2·CH3OH (3), [Ni2(L)2(CH3OH)2]·(PF6)2·2CH3OH (4), [Co2(L)2(N3)2]·3H2O (5), and [Ni2(L)2(SCN)2]·4H2O (6) have been successfully synthesized and characterized by elemental analysis, TGA, spectroscopic methods (IR, CD and electronic absorption spectra) and single-crystal X-ray diffraction structural analysis (HL = (S)-2-((4-([2,2':6‧,2″-terpyridin]-4‧-yl)benzyl)amino)-4-methylpentanoic acid). In the acidic reaction conditions, one protonated (H2L)+ and one zwitterionic HL only used their terpyridyl groups to chelate one metal ion Co(II) or Ni(II), forming chiral mononuclear cationic complexes 1 or 2. But in the basic and hydro(solvo)thermal reaction conditions, deprotonated ligands (L)‒ acting as bridges used their terpyridyl and amino acid groups to link with two Co(II) or Ni(II) ions, fabricating chiral dinuclear metallocyclic complexes 3-6. Those chiral mononuclear and dinuclear complexes whose chirality originates in the homochiral ligand HL further self-assemble into higher-dimensional homochiral supramolecular frameworks through intermolecular hydrogen-bonding and π···π interactions. Notably, the coordination mode, hydrogen-bonding site, and existence form of HL ligand can be controlled by the protonation of its amino group, and the architectural diversity of those supramolecular frameworks is adjusted by pH and counter anions. Very interestingly, the 3D porous supramolecular frameworks built up from the huge chiral mononuclear cationic complexes 1 and 2 have novel helical layers only formed through every right-handed helical chain intertwining with two adjacent same helical chains, and the 2D supramolecular helicate 5 consists of two types of left-handed helical chains.

  5. Biosorption of Cd(II), Ni(II) and Pb(II) from aqueous solution by dried biomass of aspergillus niger: application of response surface methodology to the optimization of process parameters

    Energy Technology Data Exchange (ETDEWEB)

    Amini, Malihe; Younesi, Habibollah [Department of Environmental Science, Faculty of Natural Resources and Marine Sciences, Tarbiat Modares University, Noor (Iran)

    2009-10-15

    In this study, the biosorption of Cd(II), Ni(II) and Pb(II) on Aspergillus niger in a batch system was investigated, and optimal condition determined by means of central composite design (CCD) under response surface methodology (RSM). Biomass inactivated by heat and pretreated by alkali solution was used in the determination of optimal conditions. The effect of initial solution pH, biomass dose and initial ion concentration on the removal efficiency of metal ions by A. niger was optimized using a design of experiment (DOE) method. Experimental results indicated that the optimal conditions for biosorption were 5.22 g/L, 89.93 mg/L and 6.01 for biomass dose, initial ion concentration and solution pH, respectively. Enhancement of metal biosorption capacity of the dried biomass by pretreatment with sodium hydroxide was observed. Maximal removal efficiencies for Cd(II), Ni(III) and Pb(II) ions of 98, 80 and 99% were achieved, respectively. The biosorption capacity of A. niger biomass obtained for Cd(II), Ni(II) and Pb(II) ions was 2.2, 1.6 and 4.7 mg/g, respectively. According to these observations the fungal biomass of A. niger is a suitable biosorbent for the removal of heavy metals from aqueous solutions. Multiple response optimization was applied to the experimental data to discover the optimal conditions for a set of responses, simultaneously, by using a desirability function. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  6. Complexity explained

    CERN Document Server

    Erdi, Peter

    2008-01-01

    This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. Readers will learn the basic concepts and methods of complex system research.

  7. Effect on the Inhibitory Activity of Potential Microbes on the Complexation of Methyl Anthranilate Derived Hydrazide with Cu, Ni and Zn (II) Metal Ions

    International Nuclear Information System (INIS)

    Ikram, M.; Rehman, S.; Khan, K.

    2013-01-01

    The hydrazide ligand 2-amino-(N-aminobezoyl)benzohydrazide (ABH) have been synthesized and characterized by 1H-NMR, 13C-NMR, ES+-MS, elemental analyses and infrared studies. The ligand was complexed with Ni(II), Cu(II) and Zn(II) metal ions and were characterized by analytical and spectroscopic methods including elemental analyses, ES+-MS, conductance, infrared, UV-Visible and magnetic susceptibilities studies. Infrared spectra show that the ligand form complexes through -NH2 and carbonyl moieties, the elemental studies suggested the M(ABH)X2 composition of the coordination compounds. The synthesized complexes were studied for their biological activities against gram negative bacteria including Escherichia coli, Salmonella typhi, Enterobacter aerogenes, Proteus vulgaris, Pseudomonas aeruginosa, Gram positive bacterial strains like Staphylococcus aureus and fungus like Candida albican. These activities show that the metal complexes are more active to the tested microbes as compared to neat ligand. (author)

  8. Design, synthesis and DNA binding activities of late first row transition metal(II) complexes of bi- functional tri - and tetratopic imines

    Science.gov (United States)

    Netalkar, Priya P.; Kamath, Anupama; Netalkar, Sandeep P.; Revankar, Vidyanand K.

    2012-11-01

    A series of novel Co(II), Ni(II), Cu(II) and Zn(II) complexes of tri and tetratopic hydrazones have been prepared. Ligands L1H2 and L2H2 were synthesized by the condensation of 2-formylphenoxyacetic acid with 2-hydrazinobenzothiazole and 2-hydroxy-3-hydrazinebenzopyrazine, respectively. The prepared complexes were characterized by the analytical and spectral techniques. All the complexes were found to be monomeric in nature with octahedral geometry. Both ligands were found to be electrochemically active in the working potential range showing single electron transfer process attributed to the deprotonation of carboxylic group of the 2-formylphenoxyacetic acid. The potency of the ligand and its complexes as antimicrobial agents has been investigated and made to interact with Escherichia coli DNA to investigate the binding/cleaving ability by absorption, hydrodynamic and electrophoresis studies.

  9. NMR investigation of dynamic processes in complexes of nickel(II) and zinc(II) with iminodiacetate, n-methyliminodiacetate and n-ethyliminodiacetate

    International Nuclear Information System (INIS)

    Wagner, M.R.

    1985-11-01

    Analysis of oxygen-17 bulk water relaxation rates with an aqueous solution of 1:1 Ni(II):ida reveals that two rate-limiting processes are involved with solvent exchange. Analysis of carbon-13 longitudinal relaxation rates of the bis-ligand complexes with zinc(II) are used to determine molecular tumbling rates and methyl rotation rates. The carbon-13 transverse relaxation rates for the carbons in the bis-ligand complex with Ni(II) are adequately fitted to the Solomon-Bloembergen equation. Three carboxylate carbon peaks are seen with the 13 C spectrum of the 1:2 Ni(II):ida complex, which coalesce into a single peak above about 360 K. The mechanism and rate of ligand exchange are determined for the complexes Zn(II)L 2 -2 (L = mida, eida) in aqueous solution by total lineshape analysis of the proton spectrum at 500 MHz

  10. New nickel(II) and copper(II) complexes with unsymmetrical Schiff bases derived from (1R,2R)(-)cyclohexanediamine and the application of Cu(II) complexes for hybrid thin layers deposition.

    Science.gov (United States)

    Barwiolek, M; Szlyk, E; Surdykowski, A; Wojtczak, A

    2013-08-28

    New unsymmetrical Schiff bases obtained by condensation of (1R,2R)(-)cyclohexanediamine with 2-hydroxy-3,5-di-tert-butylbenzaldehyde (3,5-(t)bba) and 2-hydroxy-3-methoxybenzaldehyde (3-metoxba) or 2-hydroxy-5-nitrobenzaldehyde (5-nba) and 2-hydroxyacetophenone (hacphen) were used for the synthesis of Cu(ii) and Ni(ii) complexes. The ligands and complexes were characterized by circular dichroism (CD), UV-vis, IR, (1)H (NOE diff) (ligand) and (13)C NMR (ligand) spectra. The X-ray crystal structures solved for Ni(II)(1R,2R)(-)chxn(3,5-(t)bba)(hacphen) exhibit distortion of the coordination sphere towards tetrahedral in the solid phase. The complex crystallized in the orthorhombic non-centrosymmetric P2(1)2(1)2(1) space group. Thin layers of copper(II) complexes were deposited on Si(111) by a spin coating technique and characterized by scanning electron microscopy (SEM/EDS), atomic force microscopy (AFM) and fluorescence spectroscopy. Layer deposition conditions were studied and optimal parameters were found (1500 rpm, time 30 s). For copper(ii) layers the most intensive fluorescence band from intraligand transition at 514 nm was observed. CD spectra of complexes in MeCN suggest the tetrahedral distortion from the square planar geometry of the central ion of the coordination sphere in solution. The (1)H NMR NOE diff. spectra of ligands were measured and the positions of the nearest hydrogen atoms in the cyclohexane and aromatic rings were discussed.

  11. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  12. Stability Constants of Mixed Ligand Complexes of Transition Metal(II Ions with N-(2-Hydroxy-1-naphthylidene-2,6-diisopropylaniline as Primary Ligand and N-(2-Hydroxybenzylidene-2,3-dimethylaniline as Secondary Ligand

    Directory of Open Access Journals (Sweden)

    A. K. Mapari

    2011-01-01

    Full Text Available Binary and ternary complexes of the type M-Y and M-X-Y [M = Co(II, Ni(II, Cu(II and Zn(II; X = N-(2-hydroxy-1-naphthylidene-2,6-diisopropylaniline and Y = N-(2-hydroxybenzylidene-2,3-dimethylaniline] have been examined pH-metrically at 27±0.5 °C and µ = 0.1 M in 75: 25% (v/v 1,4-dioxne-water medium. The logarithms of the values of stability constants for binary (M-Y and for ternary (M-X-Y systems were calculated.

  13. Synthesis and characterization of some complexes with imidazole and pyrazole from saccharinate transition ions in oxidation state (II)

    International Nuclear Information System (INIS)

    Pineda Cedeno, Leslie William

    2001-01-01

    The synthesis and characterization of metal ions saccharinate of the first serie of transition with the imidazole and pyrazole molecules in water and absolute ethanol were studied. In general, it found that in this series of saccharinate of coordinated water molecules are replaced by imidazole and pyrazole molecules with different substitution patterns, generating neutral complex of molecular formula [M(Sac) 2 (L) n (H 2 O) n-4 ] and cationic complex of molecular formula [M(L) n (H 2 O) 2 ]x2Sac, [M(L) n (H 2 O) 3 ]x2Sac, [M(L) n ]x2Sac, where M = V(II), Cr(II), Mc(II), Fe(II), Co(II), Ni(II) y Zn(II); Sac = saccharinate ion; L = imidazole (imd) and pyrazole (pir) and n = 6,4,3 and 2. These compounds are soluble in DMF and insoluble in all other common solvents. In turn, synthesized compounds in water were characterized by X ray crystallography, where preliminary data of refinement cycles, generate formulas of isostructural type [M(imd) 4 (H 2 O) 2 ]x2Sac and [M(Sac) 2 (pir) 2 (H 2 O) 2 ] where M = Co(II), Ni(II). The imidazole complex crystallize in the triclinic crystal system and space group P-1, while the pyrazole complexes crystallize in the monoclinic crystal system and space group P2 (1)/n. Gradual diminution was observed in the bond distances of M-N (saccharinate ion), M-N (imidazole) and M-N (pyrazole). The complex was characterized by spectroscopic methods, magnetic and electrochemical. (author) [es

  14. Enthused research on DNA-binding and DNA-cleavage aptitude of mixed ligand metal complexes

    Science.gov (United States)

    Mahalakshmi, Rajkumar; Raman, Natarajan

    2013-08-01

    Five new Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) mixed ligand complexes have been synthesized using a Schiff base precursor (obtained by the condensation of N-(4-aminophenyl)acetamide and 4-chlorobenzaldehyde) as main ligand and 1,10-phenanthroline as co-ligand. They have been characterized by microanalytical data, IR, UV-Vis, magnetic moment values, conductivity and electrochemical measurements. The spectral data reveal that all the complexes exhibit octahedral geometry. The high electrical conductance of the complexes supports their electrolytic nature. The monomeric nature of the complexes has been assessed from their magnetic susceptibility values. These complexes are better antimicrobial active agents than the free ligands. DNA (CT) binding properties of these complexes have been explored by UV-Vis., viscosity measurements, cyclic voltammetry, and differential pulse voltammetry measurements. The oxidative cleavage activity of the complexes has been studied using supercoiled pUC19 DNA by gel electrophoresis. The experimental results show that the complexes are good intercalators.

  15. Metal based SOD mimetic therapeutic agents: Synthesis, characterization and biochemical studies of metal complexes

    Directory of Open Access Journals (Sweden)

    J. Joseph

    2017-05-01

    Full Text Available Coordination compounds of Fe(III, Co(II, Ni(II, Cu(II and Zn(II with the Schiff base obtained through the condensation of L1 and L2 (L1 – obtained through the condensation of 4-aminoantipyrine with furfuraldehyde and L2 – derived from 2-aminobenzothiazole and 3-nitrobenzaldehyde were synthesized under reflux conditions. The newly formed complexes were characterized using elemental analysis, magnetic susceptibility, molar conductance, 1H NMR, UV–Vis., IR and ESR techniques. Cyclic voltammogram of the complexes in DMSO solution at 300 K was recorded and their salient features were summarized. The X-band ESR spectrum of the copper complex in DMSO solution at 300 and 77 K was recorded. The in vitro biological screening of the investigated compounds was tested against the bacterial species, and fungal species by disc diffusion method. The antimicrobial activity of metal complexes was dependent on the microbial species tested, ligand and the metal salts used. A comparative study of inhibition values of Schiff bases and their complexes indicates that the complexes exhibit higher antimicrobial activity than the free ligands. The DNA binding studies were performed for the complexes using cyclic voltammetry and electronic absorption spectra. Superoxide dismutase activity of these complexes has also been examined.

  16. Synthesis, characterization of thiosemicarabzone metal complexes and antioxidant activity in different in vitro model systems

    Directory of Open Access Journals (Sweden)

    Reddy Kumar Harikishore Desireddy

    2013-01-01

    Full Text Available The synthesis of bimetallic Cu(II, Co(II, Ni(II, Zn(II and U(VI complexes with general stoichiometry [H2L M(X2(H2O2] (where H2L=dideprotanated ligand and X=chloride/sulphate were obtained by the ligand terepthaladehyde Bis(thiosemicarbazione (H2L has been discussed. The ligand and its binuclear complexes have been characterized by micro analysis (CHNS, 1H NMR, FT-IR, UV-vis, TG-DTA and conductance measurements. The thermal behavior of these complexes showed that the hydrated complexes loss water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The molar conductance measurements of the complexes in DMF correspond to the non-electrolytic nature of the complexes. Furthermore, the antioxidant activity of the ligand and its complexes were determined by hydroxyl radical scavenging, DPPH, NO, reducing power methods in vitro. The obtained IC50 value of the DPPH activity for the complex 2 (IC50 = 0.254 m was shown to be better.

  17. FIRST-ROW TRANSITION METAL COMPLEXES OF OMEPRAZOLE AS ANTI-ULCERATIVE DRUGS

    Directory of Open Access Journals (Sweden)

    Suman Malik

    2010-12-01

    Full Text Available Omeprazole (OME is a proton pump inhibitor (PPI. PPIs have enabled to improve the treatment of various acid-peptic disorders. OME is a weak base and it can form several complexes with transition and non-transition metal ions. In the present paper, we are describing series of transition metal complexes of omeprazole i.e., 5-methoxy-2[(4methoxy-3, 5dimethyl-2-pyridinyl methylsulfinyl]-1H-benzimidazole with CuII, MnII, CoII, NiII, FeII, ZnII and HgII. These complexes were characterized by elemental analysis, molar conductivity, IR, NMR, magnetic susceptibility, UV-visible spectral studies, ESR, SEM and X-ray diffraction. Based on the above studies, the ligand behaves as bidentate O, N donor and forms coordinate bonds through C=N and S=O groups. The complexes were found to non-electrolytic in nature on the basis of low values of molar conductivity. Analytical data and stoichiometry analysis suggest ligand to metal ratio of 2:1 for all the complexes. Electronic spectra and magnetic susceptibility measurements reveal octahedral geometry for Mn(II,Co(II, Ni(II,Fe(II and Cu(II complexes and tetrahedral for Hg(II and Zn(II complexes. Ligands and their metal complexes have been screened for their antibacterial and antifungal activities against bacteria Pseudomonas, Staphylococcus aureus and fungi Aspergillus niger and A. flavous.

  18. Syntheses, crystal structures, anticancer activities of three reduce Schiff base ligand based transition metal complexes

    Science.gov (United States)

    Chang, Hui-Qin; Jia, Lei; Xu, Jun; Zhu, Tao-Feng; Xu, Zhou-Qing; Chen, Ru-Hua; Ma, Tie-Liang; Wang, Yuan; Wu, Wei-Na

    2016-02-01

    Three nickel(II) complexes, [Ni2(L1)2(tren)2(H2O)](ClO4)3 (1), [NiL2(tren)2](ClO4)·2.5H2O (2), [NiL2(tren)2]I·1.5H2O·CH3OH (3) based on amino acid reduced Schiff ligands are synthesized and characterized by physico-chemical and spectroscopic methods. The results show that in all complexes, the amino acid ligand is deprotonated and acts as an anionic ligand. In the dinuclear complex 1, each Ni(II) atom has a distorted octahedron geometry while with different coordination environment. However, the complexes 2 and 3 are mononuclear, almost with the same coordination environment. Furthermore, in vitro experiments are carried out, including MTT assay, Annexin V/PI flow cytometry and western blotting, to assess whether the complexes have antitumor effect. And the results show that all the three complexes have moderate anticancer activity towards human hepatic cancer (HepG2), human cervical cancer (HeLa) and human prostate (PC3) cell lines, in a concentration dependent way. The complex 1 exhibit higher cytotoxicity than the other two complexes and can induce human hepatic cancer cell (HepG2) to cell apoptosis by activating caspase 3.

  19. Synthesis, structure, DNA/BSA binding and antibacterial studies of NNO tridentate Schiff base metal complexes

    Science.gov (United States)

    Sakthi, Marimuthu; Ramu, Andy

    2017-12-01

    A new salicylaldehyde derived 2,4-diiodo-6-((2-phenylaminoethylimino)methyl)phenol Schiff base(L) and its transition metal complexes of the type MLCl where, M = Cu(II), Ni(II), Co(II), Mn(II) and Zn(II) have been synthesized. The coordination mode of Schiff base holding NNO donor atoms with metal ions was well investigated by elemental analysis, ESI-mass as well as IR, UV-vis, CV and NMR spectral studies. The binding efficiency and mode of these complexes with biological macromolecules viz., herring sperm DNA (HS- DNA) and bovine serum albumin (BSA) have been explored through various spectroscopic techniques. The characteristic changes in absorption, emission and, circular dichroism spectra of the complexes with DNA indicate the noticeable interaction between them. From the all spectral information complexes could interact with DNA via non-intercalation mode of binding. The hyperchromisim in absorption band and hypochromisim in emission intensity of BSA with different complex concentrations shown significant information, and the binding affinity value has been predicted from Stern-Volmer plots. Further, all the complexes could cleave the circular plasmid pUC19 DNA efficiently by using an activator H2O2. The ligand and all metal(II) complexes showed good antibacterial activities. The molecular docking studies of the complexes with DNA were performed in order to make a comparison and conclusion with spectral technic results.

  20. Spectral studies, thermal investigation and biological activity of some metal complexes derived from (E)-N‧-(1-(4-aminophenyl)ethylidene)morpholine-4-carbothiohydrazide

    Science.gov (United States)

    El-Samanody, El-Sayed A.; Polis, Magdy W.; Emara, Esam M.

    2017-09-01

    A new series of biologically active Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes derived from the novel thiosemicarbazone ligand; (E)-N‧-(1-(4-aminophenyl)ethylidene)morpholine-4-carbothiohydrazide (HL) were synthesized. The mode of bonding of the ligand and the geometrical structures of its metal complexes were achieved by different analytical and spectral methods. The ligand coordinated with metal ions in a neutral bidentate fashion through the thione sulfur and azomethine nitrogen atoms. All metal complexes adopted octahedral geometry, except Cu(II) complexes (3, 6, 7) which have a square planar structure. The general thermal decomposition pathways of the ligand along with its metal complexes were explained. The thermal stability of the complexes is controlled by the number of outer and inner sphere water molecules, ionic radii and the steric hindrance. The activation thermodynamic parameters; (activation energy (E*), enthalpy of activation (ΔH*), entropy of activation (ΔS*) and Gibbs free energy (ΔG*)) along with order of reaction (n) were estimated from DTG curves. The ESR spectra of Cu(II) complexes indicated that (dx2-y2)1 is the ground state with covalence character of metal-ligand bonds. The molluscicidal and biochemical effects of the ligand and its Ni(II); Cu(II) complexes (2; 3, 5, 7) along with their combinations with metaldehyde were screened in vitro on the mucous gland of Eobania vermiculata. The tested compounds exhibited a significant toxicity against the tested animals and have almost the same toxic effect of metaldehyde which increases the mucous secretion of the snails and leads to death.

  1. A Facile Access to New Polymethylmethacrylate-Anchored Ferrocene Substituted Nickel(II) Unsymmetrical Schiff Base Complexes: Synthesis and Characterization.

    OpenAIRE

    Novoa , Néstor; Soto , Juan ,; Henríquez , Rodrigo; Manzur , Carolina; Carrillo , David; Hamon , Jean-René

    2013-01-01

    International audience; This paper discloses two new side-chain metallopolymers containing an unsymmetrical organometallic Schiff base complex of Ni(II) linked to a polymethylmethacrylate (PMMA) matrix. The neutral ferrocene substituted Schiff base complex 1, Ni{CpFe(η5-C5H4)-C(O)CH=C(CH3)N-o-C6H4N=CH-(2-O,5-OH-C6H3)} where (Cp = η5-C5H5), was synthesized via template reaction by condensation of the tridentate half-unit metalloligand Fc-C(O)CH=C(CH3)-N(H)-o-C6H4NH2 (Fc = ferrocenyl = CpFe(η5-...

  2. Screening the efficient biological prospects of triazole allied mixed ligand metal complexes

    Science.gov (United States)

    Utthra, Ponnukalai Ponya; Kumaravel, Ganesan; Raman, Natarajan

    2017-12-01

    Triazole appended mixed ligand complexes (1-8) of the general formula [ML (bpy/phen)2]Cl2, where M = Cu(II), Co(II), Ni(II) and Zn(II), L = triazole appended Schiff base (E)sbnd N-(4-nitrobenzylidene)-1H-1,2,4-triazol-3-amine and bpy/phen = 2,2‧-bipyridine/1,10-phenanthroline, have been synthesized. The design and synthesis of this elaborate ligand has been performed with the aim of increasing stability and conjugation of 1,2,4 triazole, whose Schiff base derivatives are known as biologically active compounds thereby exploring their DNA binding affinity and other biological applications. The compounds have been comprehensively characterized by elemental analysis, spectroscopic methods (IR, UV-Vis, EPR, 1H and 13C NMR spectroscopy), ESI mass spectrometry and magnetic susceptibility measurements. The complexes were found to exhibit octahedral geometry. The complexes 1-8 were subjected to DNA binding techniques evaluated using UV-Vis absorption, CV, CD, Fluorescence spectroscopy and hydrodynamic measurements. Complex 5 showed a Kb value of 3.9 × 105 M-1. The DNA damaging efficacy for the complexes was observed to be high compared to the ligand. The antimicrobial screening of the compounds against bacterial and fungal strains indicates that the complexes possess excellent antimicrobial activity than the ligand. The overall biological activity of the complexes with phen as a co-ligand possessed superior potential than the ligand.

  3. Quantitative structure-activity relationships for aqueous metal-siderophore complexes.

    Science.gov (United States)

    Duckworth, Owen W; Bargar, John R; Sposito, Garrison

    2009-01-15

    Siderophores, biogenic chelating agents that facilitate the solubilization and uptake of ferric iron, form stable complexes with a wide range of nutrient and contaminant metals and thus may profoundly affect their fate, transport, and biogeochemical cycling. To understand more comprehensively the factors that control the stability and reactivity, as well as the potential for microbial uptake, of metal-siderophore complexes, we probed the structures of complexes formed between the trihydroxamate siderophore desferrioxamine B (DFOB) and Cu(II), Ga(III), Mn(II), Ni(II), and Zn(II) in solution by using extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that all metals studied are dominantly in octahedral coordination, with significant Jahn-Teller distortion of the Cu(II)HDFOB(0) complex. Additionally, log-transformed complex stability constants correlate not only with the charge-normalized interatomic distances within the complex, affirming and expanding existing predictive relationships, but also with the Debye-Waller parameter of the first coordination shell. The derived structure-activity relationships not only quantitatively relate the measured physical architecture of aqueous complexes to their observed stability but also allow for the prediction of siderophore-metal stability constants.

  4. Adsorption of some metal complexes derived from acetyl acetone on activated carbon and purolite S-930

    Directory of Open Access Journals (Sweden)

    Salam A.H. Al-Ameri

    2014-12-01

    Full Text Available A new Schiff base (HL derived from condensation of p-anisidine and acetyl acetone has been prepared and used as a chelating ligand to prepare Cr(III, Mn(II, Co(II, Ni(II and Cu(II complexes. The study of the nature of these complexes formed in ethanol solution following the mole ratio method (2:1, L:M gave results which were compared successfully with these obtained from isolated solid state studies. These studies revealed that the complexes having square planner geometry of the type (ML2, M = Co(II, Ni(II and Cu(II, and octahedral geometry of the type [CrIIIL2(H2O2]Cl and [MNIIL2(H2O2]. The adsorption studies of three complexes Cr(III, Mn(II, and Co(II on activated carbon, H and Na-forms of purolite S-930 resin show high adsorption percentage for Cr(III on purolite S-930 due to ion exchange interaction compared with high adsorption of neutral Mn(II, Co(II complexes on activated charcoal. Linear plot of log Qe versus log Ce showed that the adsorption isotherm of these three complexes on activated carbon, H and Na-forms of purolite S-930 surface obeys Freundlich isotherm and was similar to S-curve type according to Giles classification which investigates heterogeneous adsorption. The regression values indicate that the adsorption data for these complexes fitted well within the Freundlich isothermal plots for the concentration studied. The accuracy and precision of the concentration measurements of these complexes were determined by preparing standard laboratory samples, the results show relative error ranging from ±1.08 to 5.31, ±1.04 to 4.82 and ±0.28 to 3.09 and the relative standard deviation did not exceed ±6.23, ±2.77 and ±4.38% for A1, A2 and A3 complexes, respectively.

  5. Conventional and microwave synthesis, spectral, thermal and antimicrobial studies of some transition metal complexes containing 2-amino-5-methylthiazole moiety

    Directory of Open Access Journals (Sweden)

    A.P. Mishra

    2014-12-01

    Full Text Available Schiff base metal complexes of Cr(III, Co(II, Ni(II and Cu(II derived from 5-chlorosalicylidene-2-amino-5-methylthiazole (HL1 and 2-hydroxy-1-naphthylidene-2-amino-5-methylthiazole (HL2 have been synthesized by conventional as well as microwave methods. These compounds have been characterized by elemental analysis, FT-IR, FAB-mass, molar conductance, electronic spectra, 1H-NMR, ESR, magnetic susceptibility, thermal, electrical conductivity and XRD analyses. The complexes exhibit coordination number 4 or 6. The complexes are coloured and stable in air. Analytical data reveal that all the complexes exhibit 1:2 (metal:ligand ratio. IR data show that the ligand coordinates with the metal ions in a bidentate manner through the phenolic oxygen and azomethine nitrogen. FAB-mass and thermal data show degradation pattern of the complexes. The thermal behaviour of metal complexes shows that the hydrated complexes lose water molecules of hydration in the first step; followed by decomposition of ligand molecules in the subsequent steps. XRD patterns indicate crystalline nature for the complexes. The Schiff bases and metal complexes show good activity against the Gram-positive bacteria; Staphylococcus aureus and Gram-negative bacteria; Escherichia coli and fungi Aspergillus niger and Candida albicans. The antimicrobial results also indicate that the metal complexes are better antimicrobial agents as compared to the Schiff bases.

  6. Synthesis, spectral characterisation, morphology, biological activity and DNA cleavage studies of metal complexes with chromone Schiff base

    Directory of Open Access Journals (Sweden)

    P. Kavitha

    2016-07-01

    Full Text Available Cu(II, Co(II, Ni(II and Zn(II complexes have been synthesized using 3-((pyridine-2-yliminomethyl-4H-chromen-4-one as a ligand derived from 3-formyl chromone and 2-amino pyridine. All the complexes were characterised by analytical, conductivity, IR, electronic, magnetic, ESR, thermal, powder XRD and SEM studies. The analytical data revealed that the metal to ligand molar ratio is 1:2 in all the complexes. Molar conductivity data indicates that all the complexes are neutral in nature. On the basis of magnetic and electronic spectral data, octahedral geometry is proposed for all the complexes. Thermal behaviour of the synthesized complexes indicates the coordinated and lattice water molecules are present in the complexes. The X-ray diffraction data suggest a triclinic system for all compounds. Different surface morphologies were identified from SEM micrographs. All metal complexes exhibit fluorescence. The antimicrobial and nematicidal activity data show that metal complexes are more potent than the parent ligand. The DNA cleavage activity of the ligand and its metal complexes were observed in the presence of H2O2.

  7. DNA binding propensity and nuclease efficacy of biosensitive Schiff base complexes containing pyrazolone moiety: Synthesis and characterization

    Science.gov (United States)

    Paulpandiyan, Rajakkani; Raman, Natarajan

    2016-12-01

    A series of novel Co(II), Cu(II), Ni(II) and Zn(II) complexes (1-8) were synthesized from pyrazolone precursor Schiff base(s), obtained by the condensation of 4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one (4-aminoantipyrine) with cinnamaldehyde/benzaldehyde and respective metal(II) chloride. They have been characterized by elemental analysis, magnetic susceptibility, molar conductance measurements, UV-Vis., IR, NMR, ESI mass spectra and EPR studies. These complexes show lower conductance values, supporting their non-electrolytic nature. Spectroscopic and other analytical data of the complexes suggest octahedral geometry. The binding properties of these complexes with DNA have been explored by electronic absorption spectra, cyclic voltammetry and viscosity measurements which reveal that the complexes have the ability to interact with calf thymus DNA (CT DNA) by intercalative mode. The binding constant (Kb) values clearly signify that the complex 1 has more intercalating ability than other complexes. DNA cleavage efficacy of these complexes with pUC18 DNA has been investigated by gel electrophoresis technique. All the complexes have been found to promote cleavage of pUC18 DNA from the super coiled form I to the open circular form II in presence of hydrogen peroxide. The in vitro antibacterial and antifungal assay, investigated by Minimum Inhibitory Concentration (MIC) method indicates that these complexes are good antimicrobial agents against various pathogens.

  8. Synthesis, characterization and spectroscopic studies of the dihydrobis(1,2,3-benzotriazolylborate anion and its complexes with MCl2·py2

    Directory of Open Access Journals (Sweden)

    KHWAJA S. SIDDIQI

    2006-11-01

    Full Text Available The preparation of sodium dihydrobis(1,2,3-benzotriazolylborate was realised by refluxing one mole of sodium borohydride with two moles of 1,2,3-benzotriazole in toluene over a period of 12 h. Its complexes with MCl2·py2 [whereM=Mn(II, Fe(II, Co(II, Ni(II, Cu(II and py=pyridine] were characterized by elemental analysis as well as magnetic, spectroscopic and conductivity measurements. On the basis of these studies, it is proposed that the geometry of all the complexes is octahedral. The ligand field parameters 10 Dq, B and b show extensive overlap between the M–L orbital. The molar conductance of 10-3 M solutions of the complexes in DMSO suggest them to be non-ionic in nature.

  9. Efficient Synthesis and Characterization of Some Novel Nitro-Schiff Bases and Their Complexes of Nickel(II and Copper(II

    Directory of Open Access Journals (Sweden)

    Hossein Naeimi

    2013-01-01

    Full Text Available Synthesis and characterization of some new Schiff base ligands derived from various diamines and nitrosalicylaldehyde and their complexes of Ni(II and Cu(II are reported. Several spectral techniques such as UV-Vis, FT-IR, and NMR spectra were used to identify the chemical structures of the reported ligands and their complexes. The ligands are found to be bound to the metal atom through the oxygen atoms of the hydroxyl groups and nitrogen atoms of imine groups, which is also supported by spectroscopic techniques. The results obtained by FT-IR and NMR showed that the Schiff base complexes of transition metal (II have square-planar geometry.

  10. Complex Narratives

    NARCIS (Netherlands)

    Simons, J.; Buckland, W.

    2014-01-01

    In the opening chapter, "Complex Narratives," Jan Simons brings together narratology, game theory, and complexity theory to untangle the intricate nature of complex narratives in contemporary cinema. He presents an overview of the different concepts - forking path narratives, mind-game films,

  11. phenanthroline complex

    Indian Academy of Sciences (India)

    ABHRANIL DE

    2018-02-28

    Feb 28, 2018 ... complex in a unique binding motif and provide additional stability to the compound in the solid state. This iron(II) complex is able to catalyze the cleavage of aromatic C-C linkage of 2,5-dihydroxybenzoic acid (Gentisic acid,. GA) in oxygen environment. The iron(II) complex in the presence of two equivalent ...

  12. (II) complexes

    African Journals Online (AJOL)

    activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

  13. Microwave synthesis, spectral, thermal, and antimicrobial activities of some transition metal complexes involving 5-bromosalicylaldehyde moiety

    Directory of Open Access Journals (Sweden)

    Rajendra K. Jain

    2012-07-01

    Full Text Available The coordination complexes of Co(II, Ni(II and Cu(II derived from 5-bromosalicylidene-3,4-dimethylaniline (BSMA and 5-bromosalicylidene-3,4-dichloroaniline (BSCA have been synthesized by conventional as well as microwave methods. These compounds have been characterized by elemental analysis, FT-IR, molar conductance, electronic spectra, 1H-NMR, FAB-mass, ESR, magnetic susceptibility, electrical conductivity and thermal analysis. The complexes are coloured and stable in air. Analytical data revealed that all the complexes exhibited 1:2 (metal: ligand ratio with coordination number 4 or 6. IR data shows that the ligand coordinates with the metal ions in a bidentate manner through the phenolic oxygen and azomethine nitrogen. FAB-mass and thermal data show degradation pattern of the complexes. Solid state electrical conductivity studies reflect semiconducting nature of the complexes. The Schiff base and metal complexes show a good activity against the Gram-positive bacteria; Staphylococcus aureus and Gram-negative bacteria; Escherichia coli and fungi Aspergillus niger and Candida albicans.

  14. Template synthesis and characterization of biologically active transition metal complexes comprising 14-membered tetraazamacrocyclic ligand

    Directory of Open Access Journals (Sweden)

    DHARMPAL SINGH

    2010-02-01

    Full Text Available A novel series of complexes of the type [M(C28H24N4X2], whereM = Co(II, Ni(II, Cu(II, Zn(II and Cd(II, X = Cl–, NO3–, CH3COO– and (C28H24N4 corresponds to the tetradentate macrocyclic ligand, were synthe¬sized by template condensation of 1,8-diaminonaphthalene and diacetyl in the presence of divalent metal salts in methanolic medium. The complexes were characterized by elemental analyses, conductance and magnetic measurements, as well as by UV/Vis, NMR, IR and MS spectroscopy. The low values of the molar conductance indicate non-electrolyte type of complexes. Based on these spectral data, a distorted octahedral geometry may be proposed for all of these complexes. All the synthesized macrocyclic complexes were tested for in vitro antibacterial activity against some pathogenic bacterial strains, viz Bacillus cereus, Salmonella typhi, Escherichia coli and Staphylococcus aureus. The MIC values shown by the complexes against these bacterial strains were compared with the MIC shown by the standard antibiotics linezolid and cefaclor.

  15. Synthesis, Characterization and Biological Evaluation of Transition Metal Complexes Derived from N, S Bidentate Ligands

    Directory of Open Access Journals (Sweden)

    Enis Nadia Md Yusof

    2015-05-01

    Full Text Available Two bidentate NS ligands were synthesized by the condensation reaction of S-2-methylbenzyldithiocarbazate (S2MBDTC with 2-methoxybenzaldehyde (2MB and 3-methoxybenzaldehyde (3MB. The ligands were reacted separately with acetates of Cu(II, Ni(II and Zn(II yielding 1:2 (metal:ligand complexes. The metal complexes formed were expected to have a general formula of [M(NS2] where M = Cu2+, Ni2+, and Zn2+. These compounds were characterized by elemental analysis, molar conductivity, magnetic susceptibility and various spectroscopic techniques. The magnetic susceptibility measurements and spectral results supported the predicted coordination geometry in which the Schiff bases behaved as bidentate NS donor ligands coordinating via the azomethine nitrogen and thiolate sulfur. The molecular structures of the isomeric S2M2MBH (1 and S2M3MBH (2 were established by X-ray crystallography to have very similar l-shaped structures. The Schiff bases and their metal complexes were evaluated for their biological activities against estrogen receptor-positive (MCF-7 and estrogen receptor-negative (MDA-MB-231 breast cancer cell lines. Only the Cu(II complexes showed marked cytotoxicity against the cancer cell lines. Both Schiff bases and other metal complexes were found to be inactive. In concordance with the cytotoxicity studies, the DNA binding studies indicated that Cu(II complexes have a strong DNA binding affinity.

  16. Spectral characterization, crystal structures and biological activities of iminodiacetate ternary complexes

    Science.gov (United States)

    Shahid, M.; Anjuli; Tasneem, Sana; Mantasha, I.; Ahamad, M. Naqi; Sama, Farasha; Fatma, Kehkeshan; Siddiqi, Zafar A.

    2017-10-01

    The ternary complexes with stoichiometry [M(imda)(bipy)]·6H2O (M = Cu) and [M(imda)(bipy)(H2O)]·4H2O (M = Ni, Co and Mn) where H2imda = iminodiacetic acid and bipy = 2,2‧-bipyridine, are prepared and characterized to exploit as novel antimicrobial agents and SOD mimics. The chemical structures were elucidated by IR, FAB-Mass, 1H, 13C NMR, EPR and spectral techniques. Single crystal X-ray and spectral studies of the complexes (1) and (2) have confirmed a square pyramidal geometry around Cu(II) ion while a saturated six coordinate (distorted octahedral) geometry around the Ni(II), Co(II) and Mn(II) ions due to the additional coordination from water. A supramolecular network is formed by extensive H-bonding in complex (1). The supramolecular assembly in complex (1) is additionally consolidated via the existence of unusual cyclic hexameric water clusters. The antimicrobial activities for the present complexes have been examined against Escherichia coli (K-12), Bacillus subtilis (MTC-121), Staphylococcus aureus (IOASA-22), Salmonella typhymurium (MTCC-98), Candida albicans, Aspergillus fumigatus and Penicillium marneffei. The superoxide dismutase (SOD) activity of the Cu(II) complex (1) is also assessed employing nitrobluetetrazolium (NBT) assay.

  17. Estudio del equilibrio y cinética de adsorción de Cd(II, Ni(II y Cr(VI usando Quitosano y Quitosano modificado con cobre

    Directory of Open Access Journals (Sweden)

    M. Benavente

    2013-04-01

    Full Text Available En este trabajo, se estudió el equilibrio y la cinética de adsorción de Cd(II, Ni(II en quitosano y Cr(VI en quitosano modificado con cobre. Para ello, soluciones de iones metálicos a diferentes concentraciones, fueron puestas en contacto con el adsorbente y se agitaron por un período de 3 – 4 h. Al final del proceso, las muestras fueron analizadas en un espectrómetro de absorción atómica. Los datos experimentales del equilibrio de adsorción de los iones metálicos fueron evaluados aplicando las isotermas de Langmuir y Freundlich; mientras los datos cinéticos fueron evaluados utilizando los modelos cinéticos de pseudo-primer orden y pseudo-segundo orden. Los resultados del proceso demostraron que los iones fueron eficazmente adsorbidos por el quitosano (Cd y Ni y por el Cu-quitosano (Cr. Además, se comprobó que los datos experimentales del equilibrio de adsorción de Cr(VI y Ni(II se ajustan al modelo de Langmuir; mientras que los datos experimentales del Cd(II fueron mejor ajustados por el modelo de Freundlich. Mediante el uso de la isoterma de Langmuir se determinó la capacidad máxima de adsorción de cromo (29.7 mg/g Cu-quitosano, cadmio (102.0 mg/g quitosano y níquel (83.31 mg/g quitosano. Los resultados de la cinética de adsorción de los iones metálicos mostraron que los datos experimentales fueron mejor ajustados por el modelo de pseudo-segundo orden; es decir, el paso limitante en la velocidad es la reacción de adsorción y no la transferencia de masa.

  18. Studies on coordination chemistry and bioactivity of metal complexes of a bidentate NN schiff base, (2-pyridyl-methylene)(phenyl) hydrazine, produced from the condensation of pyridine-2-carboxaldehyde with phenylhydrazine

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Zakaria, C.M.; Idrus, Razmi Mohd; Crouse, Karen A.; Ali, A.M.; Yamin, B.M.; Fun, H.-K.

    2003-07-01

    A bidentate Schiff base, (2-pyridyl-methylene)(phenyl) hydrazine, with NN donor sequence, was isolated from the condensation of pyridine-2-carboxaldehyde with phenylhydrazine in ethanol. Metal complexes of this ligand with Ni(II), Zn(It), and Cu(n) ions were synthesized and characterized by a variety of physico-chemical techniques. The structure of the Schiff base was solved by X-ray diffraction studies, which indicated that it was monoclinic with a space group of C2/c. The complexes were all four coordinated. The compounds were tested against four pathogenic bacteria and fungi. The nickel complex, [Ni(NN) 2 Cl 2 ], in particular, was found to be active against all the fungi tested. The complexes were however inactive against leukemic cell lines (CEM-SS). (author)

  19. Complexity Plots

    KAUST Repository

    Thiyagalingam, Jeyarajan

    2013-06-01

    In this paper, we present a novel visualization technique for assisting the observation and analysis of algorithmic complexity. In comparison with conventional line graphs, this new technique is not sensitive to the units of measurement, allowing multivariate data series of different physical qualities (e.g., time, space and energy) to be juxtaposed together conveniently and consistently. It supports multivariate visualization as well as uncertainty visualization. It enables users to focus on algorithm categorization by complexity classes, while reducing visual impact caused by constants and algorithmic components that are insignificant to complexity analysis. It provides an effective means for observing the algorithmic complexity of programs with a mixture of algorithms and black-box software through visualization. Through two case studies, we demonstrate the effectiveness of complexity plots in complexity analysis in research, education and application. © 2013 The Author(s) Computer Graphics Forum © 2013 The Eurographics Association and Blackwell Publishing Ltd.

  20. Synthesis, characterization and biological relevance of some metal (II) complexes with oxygen, nitrogen and oxygen (ONO) donor Schiff base ligand derived from thiazole and 2-hydroxy-1-naphthaldehyde

    Science.gov (United States)

    Nagesh, G. Y.; Mruthyunjayaswamy, B. H. M.

    2015-04-01

    The novel Schiff base ligand 2-((2-hydroxynaphthalen-1-yl)methylene)-N-(4-phenylthiazol-2-yl)hydrazinecarboxamide (L) obtained by the condensation of N-(4-phenylthiazol-2-yl)hydrazinecarboxamide with 2-hydroxy-1-naphthaldehyde and its newly synthesized Cu(II), Co(II), Ni(II), Zn(II) and Cd(II) complexes have been characterized by microanalysis, molar conductance, IR, 1H NMR, ESI-mass, UV-Visible, TGA/DTA, ESR and powder X-ray diffraction data to explicate their structures. The IR results confirmed the tridentate binding of the ligand involving oxygen atom of amide carbonyl, azomethine nitrogen and naphthol oxygen. 1H NMR spectral data of the ligand (L) and its Zn(II) complex agreed well with the proposed structures. Thermogravimetric studies for Cu(II) and Ni(II) complexes indicated the presence of coordinated water molecules and the final product is the metal oxide. In order to appraise the effect of antimicrobial activity of metal ions upon chelation, the newly synthesized ligand and its metal complexes were screened for their antimicrobial activity by minimum inhibitory concentration (MIC) method. The DNA cleavage activities were studied using plasmid DNA pBR322 (Bangal re Genei, Bengaluru, Cat. No 105850) as a target molecule by agarose gel electrophoresis method. The brine shrimp bioassay was also carried out to study the in vitro cytotoxicity properties against Artemia salina. Furthermore, the antioxidant activity were determined in vitro by reduction of 1,1-diphenyl-2-picryl hydrazyl (DPPH). The ligand exhibited better in vitro-antioxidant activity than its metal complexes.

  1. Spectroscopic studies of transition metal complexes with a N-donor tetradentate(N 4) 12-membered macrocylic ligand

    Science.gov (United States)

    Chandra, Sulekh; Verma, Shweta

    2008-11-01

    Chromium(III), manganese(II), iron(III), cobalt(II), nickel(II), copper(II), ruthenium(III), iridium(III), palladium(II) and platinum(II) complexes were synthesized with a 12-membered 1,4,7,10-tetraazadodeca-5,6,11,12-tetraene macrocylic ligand (L) and characterized by elemental analysis, molar conductance, magnetic susceptibility, IR, electronic, EPR and Mössbauer [Fe(III)] spectral studies. The molar conductance measurements of all the complexes in DMF solution correspond to non-electrolytic nature for M(L)Cl 2 complexes [where M = Mn(II), Co(II), Ni(II), Cu(II)], 1:1 electrolytes for M'(L)Cl 3 complexes [where M' = Cr(III), Fe(III), Ru(III) and Ir(III)] and 1:2 electrolytes for M″(L)Cl 2 complexes [where M″ = Pd(II) and Pt(II)]. Thus, the complexes may be formulated as [M(L)C1 2], [M'(L)C1 2]C1 and [M″(L)]C1 2, respectively [where L = ligand]. All complexes were of the high-spin type and found to have six-coordinate octahedral geometry except the Pd(II) and Pt(II) complexes which were four coordinate, square planar and diamagnetic.

  2. Synthesis, Spectroscopic Characterization, and Biological Activities of Metal Complexes of 4-((4-Chlorophenyldiazenyl-2-((p-tolyliminomethylphenol

    Directory of Open Access Journals (Sweden)

    C. Anitha

    2013-01-01

    Full Text Available Azo Schiff base complexes of VO(II, Mn(II, Co(II, Ni(II, Cu(II, and Zn(II have been synthesized from 4-((4-chlorophenyldiazenyl-2-((p-tolyliminomethylphenol (CDTMP. The nature of bonding and the structural features of the complexes have been deduced from elemental analysis, molar conductance, magnetic susceptibility measurements, IR, UV-Vis, 1H-NMR, EPR, mass, SEM, and fluorescence spectral studies. Spectroscopic and other analytical studies reveal square-planar geometry for copper, square-pyramidal geometry for oxovanadium, and octahedral geometry for other complexes. The EPR spectra of copper(II complex in DMSO at 300 K and 77 K were recorded, and its salient features are reported. Antimicrobial studies against several microorganisms indicate that the complexes are more potent bactericides and fungicides than the ligand. The electrochemical behavior of the copper(II complex was studied by cyclic voltammetry. All the synthesized compounds can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic conversion efficiency of the synthesized azo Schiff base was found to be higher than that of urea and KDP (potassium dihydrogen phosphate. SEM image of copper(II complex implies the crystalline state and surface morphology of the complex.

  3. Synthesis, characterization and biological studies of homo and hetero-binuclear 13-membered pentaaza bis (macrocyclic) complexes

    Science.gov (United States)

    Zafar, Hina; Kareem, Abdul; Sherwani, Asif; Mohammad, Owais; Khan, Tahir Ali

    2015-01-01

    A new series of homo and hetero binuclear 13-membered pentaaza bis (macrocyclic) complexes, [MM‧LX4], [M = Cu(II), M‧ = Cu(II), Co(II), Ni(II) and Sn(II); L = ligand and X = Cl or NO3] have been synthesized by the template reaction of dichloro/dinitrato diphenyl sulphone 1,3,6,9,12-tetra hydro pentaazacyclo pantane copper (II) complexes with formaldehyde, triethylenetetraamine, and respective metal salts in 1:2:1:1 molar ratio. The complexes have been characterized by elemental analyses, molar conductance measurements, ESI-mass, 1H, 13C and 119Sn NMR, IR, electronic and EPR spectral studies. The results of elemental analyses, ESI-mass and conductivity measurements confirmed the stoichiometry of the complexes while the characteristic absorption bands and resonance peaks in IR and NMR spectra confirmed the formation of macrocyclic frameworks of the complexes. These studies showed octahedral geometry around the metal ion. The thermal stability of copper complexes was also studied by TGA and DTA analyses. Some complexes of this series were also studied for their in vitro anticancer activity against cancer cells lines: Hep3B, MCF7, and HeLa. The recorded IC50 values for the tested complexes show moderate to good cytotoxicity against these cancer cell lines.

  4. Spectral, NLO, Fluorescence, and Biological Activity of Knoevenagel Condensate of β-Diketone Ligands and Their Metal(II Complexes

    Directory of Open Access Journals (Sweden)

    S. Sumathi

    2011-01-01

    Full Text Available Transition metal complexes of various acetylacetone-based ligands of the type ML (where M=  Cu(II, Ni(II, Co(II; L=  3-(aryl-pentane-2,4-dione have been synthesized. The structural features have been derived from their elemental analysis, magnetic susceptibility, molar conductance, IR, UV-Vis, H1NMR, mass and ESR spectral studies. Conductivity measurements reveal that all the complexes are nonelectrolytic in nature. Spectroscopic and other analytical data of the complexes suggest square planar geometry for copper(II, cobalt(II, and nickel(II complexes of 3-(3-phenylallylidenepentane-2,4-dione and octahedral geometry for other metal(II complexes. The redox behaviors of the copper(II complexes have been studied by cyclic voltammetry. The free ligands and their metal complexes have been screened for their in vitro biological activities against bacteria and fungus. The metal(II complexes are found to possess increased activities compared to those of the free ligands. All synthesized compounds may serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic generation (SHG efficiency of the ligands was found to have considerable effect compared to that of urea and KDP.

  5. A tetranuclear cubane-like nickel(II complex with a tridentate salicylideneimine Schiff base ligand: tetrakis[μ3-4-methyl-N-(2-oxidophenylsalicylideneiminato]tetrakis[methanolnickel(II] methanol 0.8-solvate

    Directory of Open Access Journals (Sweden)

    Gordana Pavlović

    2016-12-01

    Full Text Available The tetranuclear title complex, [Ni4(C14H11NO24(CH3OH4]·0.8CH3OH, has a distorted cubane topology shaped by four Schiff base ligands. The cubane [Ni4(μ3-O4] core is formed via the O atoms from the Schiff base ligands. The octahedrally coordinated NiII ions occupy alternating vertices of the cube. Each NiII ion is coordinated by one O,N,O′-tridentate dianionic ligand, two O atoms of oxidophenyl groups from adjacent ligands and the O atom of a coordinating methanol molecule. The cubane core is stabilized via an intramolecular O—H...O hydrogen bond between the hydroxy group of the coordinating methanol molecules and the phenolate O atom of the aldehyde Schiff base fragment. Additional stabilization is obtained via intramolecular C—H...O hydrogen bonds involving aromatic C—H groups and the oxygen atoms of adjacent methanol molecules. In the crystal, complex molecules are linked into chains parallel to the c axis via weak C—H...O hydrogen bonds. The partial-occupancy disordered methanol solvent molecule has a site occupancy of 0.8 and is linked to the tetranuclear unit via an intermolecular C—H...O hydrogen bond involving a phenolate O atom.

  6. Reversible DNA condensation induced by a tetranuclear nickel(II) complex.

    Science.gov (United States)

    Dong, Xindian; Wang, Xiaoyong; He, Yafeng; Yu, Zhen; Lin, Miaoxin; Zhang, Changli; Wang, Jing; Song, Yajie; Zhang, Yangmiao; Liu, Zhipeng; Li, Yizhi; Guo, Zijian

    2010-12-17

    DNA condensing agents play a critical role in gene therapy. A tetranuclear nickel(II) complex, [Ni(II)(4)(L-2H)(H(2)O)(6)(CH(3)CH(2)OH)(2)]·6NO(3) (L=3,3',5,5'-tetrakis{[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]methyl}biphenyl-4,4'-diol), has been synthesized as a nonviral vector to induce DNA condensation. X-ray crystallographic data indicate that the complex crystallizes in the monoclinic system with space group P2(1)/n, a=10.291(9), b=24.15(2), c=13.896(11) Å, and β=98.175(13)°. The DNA condensation induced by the complex has been investigated by means of UV/Vis spectroscopy, fluorescence spectroscopy, circular dichroism spectroscopy, dynamic light scattering, atomic force microscopy, gel electrophoresis assay, and zeta potential analysis. The complex interacts strongly with DNA through electrostatic attraction and induces its condensation into globular nanoparticles at low concentration. The release of DNA from its compact state has been achieved using the chelator ethylenediaminetetraacetic acid (EDTA) for the first time. Other essential properties, such as DNA cleavage inactivity and biocompatibility, have also been examined in vitro. In general, the complex satisfies the requirements of a gene vector in all of these respects.

  7. Scanning tunneling microscopy investigation of nano-structured α-K5PW11(M x OH2)O39(M = Mn(II), Co(II), Ni(II), and Zn(II)) Keggin heteropolyacid catalyst monolayers.

    Science.gov (United States)

    Choi, Jung Ho; Kang, Tae Hun; Bang, Yongju; Yoo, Jaekyeong; Jun, Jin Oh; Song, In Kyu

    2014-11-01

    Nano-structured α-K5PW11(M x OH2)O39 (M = Mn(II), Co(II), Ni(II), and Zn(II)) Keggin heteropolyacids (HPAs) were investigated by scanning tunneling microscopy (STM) and tunneling spectroscopy (TS) measurements in order to elucidate their redox property and oxidation catalysis. HPA molecules formed two-dimensional self-assembled monolayer arrays on highly oriented pyrolytic graphite (HOPG) surface. Furthermore, HPAs exhibited a distinctive current-voltage behavior referred to as negative differential resistance (NDR) phenomenon. The measured NDR peak voltage of HPAs was correlated with the reduction potential and the absorption edge energy determined by electrochemical method and UV-visible spectroscopy, respectively. NDR peak voltage of HPAs appeared at less negative voltage with increasing reduction potential and with decreasing UV-visible absorption edge energy. The correlations strongly suggested that NDR phenomenon was closely related to the redox property of HPAs. Vapor-phase oxidation of benzyl alcohol to benzaldehyde was carried out as a model reaction to track the oxidation catalysis of HPAs. NDR peak voltage appeared at less negative voltage with increasing yield for benzaldehyde.

  8. Complex odontoma.

    Science.gov (United States)

    Preetha, A; Balikai, Bharati S; Sujatha, D; Pai, Anuradha; Ganapathy, K S

    2010-01-01

    Odontomas are hamartomatous lesions or malformations composed of mature enamel, dentin, and pulp. They may be compound or complex, depending on the extent of morphodifferentiation or their resemblance to normal teeth. The etiology of odontoma is unknown, although several theories have been proposed. This article describes a case of a large infected complex odontoma in the residual mandibular ridge, resulting in considerable mandibular expansion.

  9. Complex narratives

    NARCIS (Netherlands)

    Simons, J.

    2008-01-01

    This paper brings together narratology, game theory, and complexity theory to untangle the intricate nature of complex narratives in contemporary cinema. It interrogates the different terms - forking-path narratives, mind-game films, modular narratives, multiple-draft films, database narratives,

  10. Complexity Theory

    Science.gov (United States)

    Lee, William H K.

    2016-01-01

    A complex system consists of many interacting parts, generates new collective behavior through self organization, and adaptively evolves through time. Many theories have been developed to study complex systems, including chaos, fractals, cellular automata, self organization, stochastic processes, turbulence, and genetic algorithms.

  11. Zinc, copper and nickel complexes of a macrocycle synthesized from pyridinedicarboxylic acid: A spectroscopic, thermal and theoretical study

    Directory of Open Access Journals (Sweden)

    Soleimani Esmaiel

    2017-01-01

    Full Text Available The metal(II ion complexes of a pentadentate macrocycle 1, namely 3,12-dioxa-6,9,18-triazabicyclo[12.3.1]octadeca-1(18,14,16-triene-2,13-dione are synthesized. This macrocycle is prepared from the reaction of dipotassium salt of 2,6-pyridinedicarboxylic acid with ethylenediamine and 1,2-dibromoethane. The reaction of 1 (L in methanol with MCl2.xH2O gave complexes with the general formula [M(LCl2] (where M= Ni(II 2, Cu(II 3 and Zn(II 4, respectively. The analysis of IR, 1H- and 13C-NMR spectral data of all complexes propose that 1 is bonded to metal(II ions through a nitrogen atom of pyridine ring, two nitrogen atoms of amine groups and two oxygen atoms of ester moieties. The thermal analysis indicated that there are no water molecules of hydration or coordinated in the structure of the complexes. Among these complexes, the Cu(II 3 complex demonstrated good antibacterial and antifungal activities. The molecular geometry, AIM atomic charge and frontier molecular orbitals of the compounds are investigated theoretically using DFT method. Based on the theoretical data of these complexes represented, a bipyramidal pentagonal arrangement can be envisaged in such a way that the N3O2 pentadentate donor sites form the planar pentagonal base of the bipyramid and the two Cl atoms occupy the vertexes.

  12. Syntheses, structural elucidation, thermal properties, theoretical quantum chemical studies (DFT and biological studies of barbituric–hydrazone complexes

    Directory of Open Access Journals (Sweden)

    Amina A. Soayed

    2015-03-01

    Full Text Available Condensation of barbituric acid with hydrazine hydrate yielded barbiturichydrazone (L which was characterized using IR, 1H NMR and mass spectra. The Co(II, Ni(II and Cu(II complexes derived from this ligand have been synthesized and structurally characterized by elemental analyses, spectroscopic methods (IR, UV–Vis and ESR and thermal analyses (TGA, DTG and DTA and the structures were further elucidated using quantum chemical density functional theory. Complexes of L were found to have the ML.nH2O stoichiometry with either tetrahedral or octahedral geometry. The ESR data showed the Cu(II complex to be in a tetragonal geometry. Theoretical investigation of the electronic structure of metal complexes at the TD-DFT/B3LYP level of theory has been carried out and discussed. The fundamental vibrational wavenumbers were calculated and a good agreement between observed and scaled calculated wavenumbers was achieved. Thermal studies were performed to deduce the stabilities of the ligand and complexes. Thermodynamic parameters, such as the order of reactions (n, activation energy ΔE∗, enthalpy of reaction ΔH∗ and entropy ΔS∗ were calculated from DTA curves using Horowitz–Metzger method. The ligand L and its complexes have been screened for their antifungal and antibacterial activities and were found to possess better biological activities compared to those of unsubstituted barbituric acid complexes.

  13. Synthesis, spectroscopic, coordination and biological activities of some transition metal complexes containing ONO tridentate Schiff base ligand.

    Science.gov (United States)

    Belal, A A M; El-Deen, I M; Farid, N Y; Zakaria, Rosan; Refat, Moamen S

    2015-01-01

    The main target of this paper is to get an interesting data for the preparation and characterizations of metal oxide (MO) nanoparticles using H2L Schiff base complexes as precursors through the thermal decomposition procedure. Five Schiff base complexes of Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) metal ions were synthesized from 2-[(2-hydroxy-naphthalen-1-ylmethylene)-amino]-benzoic acid new adduct (H2L). Theses complexes were characterized using infrared, electronic, mass and (1)H NMR spectroscopic techniques. The elemental analysis data was confirmed that the stoichiometry of (metal:H2L) is 1:1 molar ratio. The molar conductance indicates that all of complexes are non electrolytic. The general chemical formulas of these complexes is [M(L)(NH3)]·nH2O. All complexes are tetrahedral geometry. The thermal decomposition behavior of H2L hydrated and anhydrous complexes has been discussed using thermogravimetric analysis (TG/DTG) and differential thermal analyses (DTA) under nitrogen atmosphere. The crystalline phases of the reaction products were checked using X-ray diffractometer (XRD) and scanning electron microscopy (SEM). Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Tetra-, Penta- and Hexa-Coordinated Transition Metal Complexes Constructed from Coumarin-Containing N2O2 Ligand

    Directory of Open Access Journals (Sweden)

    Lei Gao

    2018-02-01

    Full Text Available Three newly designed complexes, [Cu(L]·CHCl3 (1, [Co(L(MeOH]·CHCl3 (2 and [{Ni(L(MeOH(PhCOO}2Ni] (3 a coumarin-containing Salamo-type chelating ligand (H2L have been synthesized and characterized by elemental analyses, IR and UV-VIS spectra, and X-ray crystallography. Complex 1 includes one Cu(II atom, one completely deprotonated (L2− unit and one crystalling chloroform molecule, the Cu(II atom shows a square-planar geometry. Complex 2 includes one Co(II atom, one completely deprotonated (L2− unit, one coordinated methanol molecule and one crystalling chloroform molecule. The Co(II atom is a distorted trigonal-bipyramidal geometry. While complex 3 includes three Ni(II atoms, two completely deprotonated (L2− units, two benzoates and two coordinated methanol molecules. The complexes 1 and 2 are both possess three-dimensional supra-molecular structures by abundant noncovalent interactions. But, complex 3 formed a two-dimensional supra-molecular structure by intra-molecular hydrogen bonds. In addition, the antimicrobial and fluorescence properties of H2L and its complexes 1, 2 and 3 were also investigated.

  15. Complex variables

    CERN Document Server

    Fisher, Stephen D

    1999-01-01

    The most important topics in the theory and application of complex variables receive a thorough, coherent treatment in this introductory text. Intended for undergraduates or graduate students in science, mathematics, and engineering, this volume features hundreds of solved examples, exercises, and applications designed to foster a complete understanding of complex variables as well as an appreciation of their mathematical beauty and elegance. Prerequisites are minimal; a three-semester course in calculus will suffice to prepare students for discussions of these topics: the complex plane, basic

  16. Managing Complexity

    DEFF Research Database (Denmark)

    Maylath, Bruce; Vandepitte, Sonia; Minacori, Patricia

    2013-01-01

    This article discusses the largest and most complex international learning-by-doing project to date- a project involving translation from Danish and Dutch into English and editing into American English alongside a project involving writing, usability testing, and translation from English into Dutch...... and into French. The complexity of the undertaking proved to be a central element in the students' learning, as the collaboration closely resembles the complexity of international documentation workplaces of language service providers. © Association of Teachers of Technical Writing....

  17. Complex Covariance

    Directory of Open Access Journals (Sweden)

    Frieder Kleefeld

    2013-01-01

    Full Text Available According to some generalized correspondence principle the classical limit of a non-Hermitian quantum theory describing quantum degrees of freedom is expected to be the well known classical mechanics of classical degrees of freedom in the complex phase space, i.e., some phase space spanned by complex-valued space and momentum coordinates. As special relativity was developed by Einstein merely for real-valued space-time and four-momentum, we will try to understand how special relativity and covariance can be extended to complex-valued space-time and four-momentum. Our considerations will lead us not only to some unconventional derivation of Lorentz transformations for complex-valued velocities, but also to the non-Hermitian Klein-Gordon and Dirac equations, which are to lay the foundations of a non-Hermitian quantum theory.

  18. Communication Complexity

    Indian Academy of Sciences (India)

    Jaikumar Radhakrishnan

    Alice and Bob are randomized agents. They exchange messages in order to compute a function f(x, y). We allow a small probability of error. Goal: minimize the total number of bits transmitted. Jaikumar Radhakrishnan. Communication Complexity ...

  19. Tetradentate Schiff base ligands and their complexes: Synthesis, structural characterization, thermal, electrochemical and alkane oxidation

    Science.gov (United States)

    Ceyhan, Gökhan; Köse, Muhammet; McKee, Vickie; Uruş, Serhan; Gölcü, Ayşegül; Tümer, Mehmet

    Three Schiff base ligands (H2L1-H2L3) with N2O2 donor sites were synthesized by condensation of 1,5-diaminonapthalene with benzaldehyde derivatives. A series of Cu(II), Co(II), Ni(II), Mn(II) and Cr(III) complexes were prepared and characterized by spectroscopic and analytical methods. Thermal, electrochemical and alkane oxidation reactions of the ligands and their metal complexes were investigated. Extensive application of 1D (1H, 13C NMR) and 2D (COSY, HETCOR, HMBC and TOSCY) NMR techniques were used to characterize the structures of the ligands and establish the 1H and 13C resonance assignments of the three ligands. Ligands H2L1 and H2L3 were obtained as single crystals from THF solution and characterized by X-ray diffraction. Both molecules are centrosymmetric and asymmetric unit contains one half of the molecule. Catalytic alkane oxidation reactions with the transition metal complexes investigated using cyclohexane and cyclooctane as substrates. The Cu(II) and Cr(III) complexes showed good catalytic activity in the oxidation of cyclohexane and cyclooctane to desired oxidized products. Electrochemical and thermal properties of the compounds were also investigated.

  20. New 14-membered octaazamacrocyclic complexes of divalent transition metal ions with their antimicrobial and spectral studies

    Science.gov (United States)

    Singh, D. P.; Kumar, Krishan; Sharma, Chetan

    2010-01-01

    A novel series of macrocyclic complexes of the type [M(C 18H 14N 10S 2)X 2]; where M = Co(II), Ni(II), Cu(II), Zn(II) and Cd(II); X = Cl -, NO 3-, CH 3COO - has been synthesized by [2+2] condensation of thiocarbohydrazide and isatin in the presence of divalent metal salts in methanolic medium. The complexes have been characterized with the help of elemental analyses, conductance measurements, magnetic measurements, electronic, NMR and infrared spectral studies. The low value of molar conductance indicates them to be non-electrolytes. On the basis of various studies a distorted octahedral geometry may be proposed for all of these complexes. These metal complexes were also tested for their in vitro antimicrobial activities against some Gram-positive bacteria viz. Staphylococcus aureus, Bacillus subtilis, and some Gram-negative bacteria Escherichia coli, Pseudomonas aeruginosa and some fungal strains Aspergillus niger, Aspergillus flavus (molds), Candida albicans, Saccharomyces cerevisiae (yeasts). The results obtained were compared with standard antibiotic: Ciprofloxacin and the standard antifungal drug: Amphotericin-B.

  1. Synthesis, spectral, thermal, potentiometric and antimicrobial studies of transition metal complexes of tridentate ligand

    Directory of Open Access Journals (Sweden)

    Sarika M. Jadhav

    2014-01-01

    Full Text Available A series of metal complexes of Cu(II, Ni(II, Co(II, Fe(III and Mn(II have been synthesized with newly synthesized biologically active tridentate ligand. The ligand was synthesized by condensation of dehydroacetic acid (3-acetyl-6-methyl-(2H pyran-2,4(3H-dione or DHA, o-phenylene diamine and fluoro benzaldehyde and characterized by elemental analysis, molar conductivity, magnetic susceptibility, thermal analysis, X-ray diffraction, IR, 1H-NMR, UV–Vis spectroscopy and mass spectra. From the analytical data, the stoichiometry of the complexes was found to be 1:2 (metal:ligand with octahedral geometry. The molar conductance values suggest the non-electrolyte nature of metal complexes. The IR spectral data suggest that the ligand behaves as a dibasic tridentate ligand with ONN donor atoms sequence towards central metal ion. Thermal behaviour (TG/DTA and kinetic parameters calculated by the Coats–Redfern and Horowitz–Metzger method suggest more ordered activated state in complex formation. To investigate the relationship between stability constants of metal complexes and antimicrobial activity, the dissociation constants of Schiff bases and stability constants of their binary metal complexes have been determined potentiometrically in THF–water (60:40% solution at 25 ± 1 °C and at 0.1 M NaClO4 ionic strength. The potentiometric study suggests 1:1 and 1:2 complexation. Antibacterial and antifungal activities in vitro were performed against Staphylococcus aureus, Escherichia coli and Aspergillus niger, Trichoderma, respectively. The stability constants of the metal complexes were calculated by the Irving–Rosotti method. A relation between the stability constant and antimicrobial activity of complexes has been discussed. It is observed that the activity enhances upon complexation and the order of antifungal activity is in accordance with stability order of metal ions.

  2. Designer ligands. Part 15. Synthesis and characterisation of novel Mn(lI), Ni(II) and Zn(II) complexes of 1,10-phenanthroline-derived ligands

    CSIR Research Space (South Africa)

    Wellington, Kevin W

    2009-01-01

    Full Text Available ., 2002, 1757. 5. Law, N. A.; Caudle, M. T.; Pecoraro, V. L. Adv. Inorg. Chem. 1999, 46, 305. 6. Zouni, A.; Witt, H. T.; Kern, J.; Fromme, P.; Krauss, N.; Saenger, W.; Orth, P. Nature 2001, 409, 739. 7. Whittaker, J. W. In Metal Ions in Biological...

  3. Thermolysis synthesis of pure phase NiO from novel sonochemical synthesized Ni(II) nano metal-organic supramolecular architecture.

    Science.gov (United States)

    Hanifehpour, Younes; Morsali, Ali; Mirtamizdoust, Babak; Joo, Sang Woo; Soltani, Behzad

    2017-07-01

    Nano-structures of a new supramolecular coordination compound of divalent nickel with the pyrazol (pzH) containing the terminal azide anions, [Ni(pzH) 2 (N 3 ) 2 ] (1), with discrete molecular architecture (DMA) in solid state was synthesized via sonochemical method. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, IR, and elemental analysis. Compound 1 was structurally characterized by single crystal X-ray diffraction and the single-crystal X-ray data shows that the coordination number of Ni (II) ions is six, (NiN 6 ), with four N-donor atoms from neutral "pzH" ligands and two N-donors from two terminal azide anions. The supramolecular features in these complexes are guided and controlled by weak directional intermolecular interactions. The structure of the title complex was optimized by density functional theory calculations. Calculated structural parameters and IR spectra for the title complex are consistent with the crystal structure. The NiO nanoparticles were obtained by thermolysis of 1 at 180°C with oleic acid as a surfactant. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Synthesis, characterization and thermal studies of nickel (II), copper (II), zinc (II) and cadmium (II) complexes with some mixed ligands

    International Nuclear Information System (INIS)

    Mitra, Samiran; Kundu, Parimal; Singh, Rajkumar Bhubon

    1998-01-01

    Dichloro-(DCA) and trichloroacetate(TCA) -cyclic ligand morpholine (Morph)/thiomorpholine (Tmorph)/methylmorpholine (Mmorph)/dimethyl-piperazine (DMP) complexes of nickel (II), copper (II), zinc (II) and cadmium (II) with the compositions [Ni(tmorph) 2 (DCA) 2 ], [Ni(tmorph) 2 (TCA) 2 ].2H 2 O, [Cu(DMP) 2 (TCA) 2 ],[ML 2 X 2 ].nH 2 O where M=Zn II or Cd II , L=Morph, DMP or tmorph and X=DCA or TCA and n=O except in case of [Cd (Morph) 2 (TCA) 2 ] where n=1 have been synthesised. Some intermediate complexes have been isolated by temperature arrest technique (pyrolysis) and characterised. Configurational and conformational changes have been studied by elemental analyses, IR and electronic spectra, magnetic moment data (in the case of Ni(II) and Cu(II) complexes) and thermal analysis. E a * , ΔH, and ΔS for the decomposition reaction of these complexes are evaluated and the stability of the complexes with respect to activation energy has also been compared. The linear correlation has been found between E a * and ΔS for the decomposition of the complexes. (author)

  5. Transition metal complexes of a new 15-membered [N5] penta-azamacrocyclic ligand with their spectral and anticancer studies

    Science.gov (United States)

    El-Boraey, Hanaa A.; Serag El-Din, Azza A.

    2014-11-01

    Novel penta-azamacrocyclic 15-membered [N5] ligand [L] i.e. 1,5,8,12-tetetraaza-3,4: 9,10-dibenzo-6-ethyl-7-methyl-1,12-(2,6-pyrido)cyclopentadecan-5,7 diene-2,11-dione and its transition metal complexes with Co(II), Ni(II), Cu(II), Ru(III) and Pd(II) have been synthesized and structurally characterized by elemental analysis, spectral, thermal as well as magnetic and molar conductivity measurements. On basis of IR, MS, UV-Vis 1H NMR and EPR spectral studies an octahedral geometry has been proposed for all complexes except Co(II), Cu(II) nitrate complexes and Pd(II) chloride complex that adopt tetrahedral, square pyramidal and square planar geometries, respectively. The antitumor activity of the synthesized ligand and some complexes against human breast cancer cell lines (MCF-7) and human hepatocarcinoma cell lines (HepG2) has been studied. The complexes (IC50 = 2.04-9.7, 2.5-3.7 μg/mL) showed potent antitumor activity comparable with their ligand (IC50 = 11.7, 3.45 μg/mL) against the above mentioned cell lines, respectively. The results evidently show that the activity of the ligand becomes more pronounced and significant when coordinated to the metal ion.

  6. Designing, synthesis and spectral characterization of Schiff base transition metal complexes: DNA cleavage and antimicrobial activity studies

    Directory of Open Access Journals (Sweden)

    N. RAMAN

    2008-10-01

    Full Text Available A new series of transition metal complexes of Cu(II, Ni(II, Co(II and Zn(II have been designed and synthesized using a Schiff base (L derived from 4-aminoantipyrine, benzaldehyde and o-phenylenediamine. The structural features were derived from their elemental analyses, magnetic susceptibility and molar conductivity, as well as from mass, IR, UV–Vis, 1H-NMR and ESR spectral studies. The FAB mass spectral data and elemental analyses showed that the complexes had a composition of the ML type. The UV–Vis and ESR spectral data of the complexes suggested a square-planar geometry around the central metal ion. The magnetic susceptibility values of the complexes indicated that they were monomeric in nature. Antimicrobial screening tests were also performed against four bacteria, viz. Salmonella typhi, Staphylococcus aureus, Escherichia coli, and Bacillus subtilis and three fungi, viz. Aspergillus niger, Aspergillus flavus and Rhizoctonia bataicola. These data gave good results in the presence of metal ion in the ligand system. The nuclease activity of the above metal complexes shows that only the copper complex cleaves CT DNA in the presence of an oxidant.

  7. Synthesis, Characterization, and Biological Activity of Some Transition Metal Complexes Derived from Novel Hydrazone Azo Schiff Base Ligand

    Directory of Open Access Journals (Sweden)

    C. Anitha

    2011-01-01

    Full Text Available A series of metal(II complexes ML where M = VO(II, Co(II, Ni(II, Cu(II, and Zn(II have been synthesized from azo Schiff base ligand (N′E-N′-(5-((4-chlorophenyldiazenyl-2-hydroxybenzylidene-2-hydroxybenzohydrazide and characterized on the basis of elemental analyses, electronic, IR, and 1H NMR spectra, magnetic susceptibility and also by aid of scanning electron microscopy (SEM, X-ray powder diffraction, fluorescence spectral studies, and molar conductivity measurements. Conductivity measurements reveal that the complexes are nonelectrolytes. Spectroscopy and other analytical studies reveal distorted square planar geometry for copper, square-pyramidal geometry for oxovanadium, and tetrahedral geometry for other complexes. Redox behavior of the copper(II complex has been studied with cyclic voltammetry, and the biological activities of the ligand and metal complexes have been studied against several microorganisms by the well diffusion method. All synthesized compounds can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The second harmonic generation (SHG efficiency of the ligand was measured and found to be higher than that of urea and KDP. The SEM image of the copper(II complex implies that the size of the particles is 50 nm.

  8. Synthesis and spectral studies on metal complexes of s-triazine based ligand and non linear optical properties

    Science.gov (United States)

    Shanmugakala, R.; Tharmaraj, P.; Sheela, C. D.

    2014-11-01

    A series of transition metal complexes of type [ML] and [ML2]Cl2 (where M = Cu(II), Ni(II), Co(II) have synthesized from 2-phenylamino-4,6-dichloro-s-triazine and 3,5-dimethyl pyrazole; their characteristics have been investigated by means of elemental analyses, magnetic susceptibility, molar conductance, IR, UV-Vis, Mass, NMR and ESR spectra. The electrochemical behavior of copper(II) complexes we have studied, by using cyclic voltammetry. The ESR spectra of copper(II) complexes are recorded at 300 K and 77 K and their salient features are appropriately reported. Spectral datas, we found, show that the ligand acts as a neutral tridentate, and coordinates through the triazine ring nitrogen and pyrazolyl ring nitrogen atoms to the metal ion. Evident from our findings, the metal(II) complexes of [ML] type exhibit square pyramidal geometry, and that of [ML2]Cl2 exhibit octahedral geometry. The in vitro antimicrobial activities of the ligand and its complexes are evaluated against Bacillus subtilis, Micrococcus luteus, Staphylococcus aureus, Staphylococcus epidermidis, Streptococcus mutans, Escherichia coli, Enterobacter aerogenes, Klebsiella pneumoniae, Proteus vulgaris, Cryptococcus neoformans, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Shigella flexneri, Vibrio cholera, Vibris parahaemolyticus, Aspergillus niger, Candida albicans and Penicillium oxalicum by well-diffusion method. The second harmonic generation efficiency of the ligand and its complexes are determined and compared with urea and KDP.

  9. Characterization of the effects of lignin and lignin complex particles as filler on a polystyrene film

    International Nuclear Information System (INIS)

    El-Zawawy, Waleed K.; Ibrahim, Maha M.; Belgacem, Mohamed Naceur; Dufresne, Alain

    2011-01-01

    Highlights: ► We have studied the use of Co(II) to form a complex with the lignin. We use first vanillin as the lignin model and we observed a change in color for the produced complex depending on the light wavelength. The use of other transition metals does not give the same observation. ► The use of the transition metal with the lignin precipitated from the black liquor after pulping of agricultural residues, gave a fluorescent color under fluorescent microscope. ► We applied the resulted lignin complex to prepare polymer film that can be used as special polymer packaging which can be color changed under different wavelengths. - Abstract: The work in this research outlines the use of lignin precipitated from lignocellulosic substrate as fillers after modified with transition metal cations, Fe(III), Ni(II) and Co(II), in the production of a polystyrene based composite for polymer packaging applications. Virgin polystyrene was compared with lignin and lignin complex filled composites with loading of 5% by weight prepared using twin screw extrusion. The lignin complexes were first characterized by the UV spectra to identify the new absorption bands occurred due to the complex formation. Moreover, lignin model, namely vanillin, was used to notify the geometric structure of the resulting complexes applying the GC mass spectra. Scanning electron microscopy was used to indicate the change in the morphological structure of the filler particles. On the other hand, the mechanical and thermal analysis for the resulting polymer composites was studied and it was noticed that the type of lignin or lignin complex plays a roll in the results. The inclusion of the Co(II)–lignin complex was observed to increase the tensile strength of the resulting polymer composite and a decrease of the glass transition temperature. Furthermore, light wave lengths and UV fluorescent microscope were used to identify the change of color for the resulting polymer film.

  10. Characterization of the effects of lignin and lignin complex particles as filler on a polystyrene film

    Energy Technology Data Exchange (ETDEWEB)

    El-Zawawy, Waleed K., E-mail: wkzawawy@yahoo.com [Cellulose and Paper Department, National Research Center, El-Tahrir St., Giza (Egypt); Ibrahim, Maha M. [Cellulose and Paper Department, National Research Center, El-Tahrir St., Giza (Egypt); Belgacem, Mohamed Naceur; Dufresne, Alain [Grenoble Institute of Technology (INP) - The International School of Paper, Print Media and Biomaterials (PAGORA), BP 65, 38402 Saint Martin d' Heres cedex, Grenoble (France)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer We have studied the use of Co(II) to form a complex with the lignin. We use first vanillin as the lignin model and we observed a change in color for the produced complex depending on the light wavelength. The use of other transition metals does not give the same observation. Black-Right-Pointing-Pointer The use of the transition metal with the lignin precipitated from the black liquor after pulping of agricultural residues, gave a fluorescent color under fluorescent microscope. Black-Right-Pointing-Pointer We applied the resulted lignin complex to prepare polymer film that can be used as special polymer packaging which can be color changed under different wavelengths. - Abstract: The work in this research outlines the use of lignin precipitated from lignocellulosic substrate as fillers after modified with transition metal cations, Fe(III), Ni(II) and Co(II), in the production of a polystyrene based composite for polymer packaging applications. Virgin polystyrene was compared with lignin and lignin complex filled composites with loading of 5% by weight prepared using twin screw extrusion. The lignin complexes were first characterized by the UV spectra to identify the new absorption bands occurred due to the complex formation. Moreover, lignin model, namely vanillin, was used to notify the geometric structure of the resulting complexes applying the GC mass spectra. Scanning electron microscopy was used to indicate the change in the morphological structure of the filler particles. On the other hand, the mechanical and thermal analysis for the resulting polymer composites was studied and it was noticed that the type of lignin or lignin complex plays a roll in the results. The inclusion of the Co(II)-lignin complex was observed to increase the tensile strength of the resulting polymer composite and a decrease of the glass transition temperature. Furthermore, light wave lengths and UV fluorescent microscope were used to identify

  11. Synthesis, characterization, thermal behavior, and DNA-cleaving studies of cyano-bridged nickel(II)-copper(II) complexes of 4-(pyridin-2-ylazenyl)resorcinol.

    Science.gov (United States)

    Karipcin, Fatma; Ozmen, Ismail; Cülü, Burcin; Celikoğlu, Umut

    2011-10-01

    We present here the syntheses of a mononuclear Cu(II) complex and two polynuclear Cu(II)-Ni(II) complexes of the azenyl ligand, 4-(pyridin-2-ylazenyl)resorcinol (HL; 1). The reaction of HL (1) and copper(II) perchlorate with KCN gave a mononuclear complex [CuL(CN)] (4). Using 4, one pentanuclear complex, [{CuL(NC)}(4) Ni](ClO(4))(2) (5) and one trinuclear complex, [{CuL(CN)}(2) NiL]ClO(4) (6), were prepared and characterized by elemental analyses, magnetic susceptibility, molar conductance, IR, and thermal analysis. Stoichiometric and spectral results of the mononuclear Cu(II) complex indicated that the metal/ligand/CN ratio was 1 : 1 : 1, and the ligand behaved as a tridentate ligand forming neutral metal chelates through the pyridinyl and azenyl N-, and resorcinol O-atom. The interaction between the compounds (the ligand 1, its Ni(II) and Cu(II) complexes without CN, i.e., 2 and 3, and its complexes with CN, 4-6) and DNA has also been investigated by agarose gel electrophoresis. The pentanuclear Cu(4) Ni complex (5) with H(2) O(2) as a co-oxidant exhibited the strongest DNA-cleaving activity. Copyright © 2011 Verlag Helvetica Chimica Acta AG, Zürich.

  12. Iminopyridine-Based Cobalt(II and Nickel(II Complexes: Synthesis, Characterization, and Their Catalytic Behaviors for 1,3-Butadiene Polymerization

    Directory of Open Access Journals (Sweden)

    Quanquan Dai

    2016-01-01

    Full Text Available A series of iminopyridine ligated Co(II (1a–7a and Ni(II (1b–7b complexes were synthesized. The structures of complexes 3a, 4a, 5a, 7a, 5b, and 6b were determined by X-ray crystallographic analyses. Complex 3a formed a chloro-bridged dimer, whereas 4a, 5a, and 7a, having a substituent (4a, 5a: CH3; 7a: Br at the 6-position of pyridine, producing the solid structures with a single ligand coordinated to the central metal. The nickel atom in complex 5b features distorted trigonal-bipyramidal geometry with one THF molecule ligating to the metal center. All the complexes activated by ethylaluminum sesquichloride (EASC were evaluated in 1,3-butadiene polymerization. The catalytic activity and selectivity were significantly influenced by the ligand structure and central metal. Comparing with the nickel complexes, the cobalt complexes exhibited higher catalytic activity and cis-1,4-selectivity. For both the cobalt and nickel complexes, the aldimine-based complexes showed higher catalyst activity than their ketimine counterparts.

  13. Complex analysis

    CERN Document Server

    Freitag, Eberhard

    2005-01-01

    The guiding principle of this presentation of ``Classical Complex Analysis'' is to proceed as quickly as possible to the central results while using a small number of notions and concepts from other fields. Thus the prerequisites for understanding this book are minimal; only elementary facts of calculus and algebra are required. The first four chapters cover the essential core of complex analysis: - differentiation in C (including elementary facts about conformal mappings) - integration in C (including complex line integrals, Cauchy's Integral Theorem, and the Integral Formulas) - sequences and series of analytic functions, (isolated) singularities, Laurent series, calculus of residues - construction of analytic functions: the gamma function, Weierstrass' Factorization Theorem, Mittag-Leffler Partial Fraction Decomposition, and -as a particular highlight- the Riemann Mapping Theorem, which characterizes the simply connected domains in C. Further topics included are: - the theory of elliptic functions based on...

  14. Synthesis of polyaniline catalysed by Cu(I), Ni(II) and Fe(II) supported on the polyethylene-i-acrylic acid copolymer

    International Nuclear Information System (INIS)

    Hernandez, L.; Urena, F.; Lopez, R.

    1997-01-01

    In this study the active sites of acrylic acid (AA) were grafted in low density polyethylene (PEBD) using gamma radiation. Subsequently, the graft copolymer PEBD-i-AA was coordinated with different metals such as copper, nickel and iron. The organometallic copolymers so formed were used as catalysts in the aniline polymerization reaction. Finally, it was realized the characterization of the obtained products, determining their thermal properties, copolymer graft percentage, quantification of the metal contained in the complex as well as polymerization and electric conductivity percentages of the poly aniline film. (Author)

  15. Complex Analysis

    CERN Document Server

    Stein, Elias M

    2009-01-01

    With this second volume, we enter the intriguing world of complex analysis. From the first theorems on, the elegance and sweep of the results is evident. The starting point is the simple idea of extending a function initially given for real values of the argument to one that is defined when the argument is complex. From there, one proceeds to the main properties of holomorphic functions, whose proofs are generally short and quite illuminating: the Cauchy theorems, residues, analytic continuation, the argument principle.With this background, the reader is ready to learn a wealth of additional m

  16. Complex manifolds

    CERN Document Server

    Morrow, James

    2006-01-01

    This book, a revision and organization of lectures given by Kodaira at Stanford University in 1965-66, is an excellent, well-written introduction to the study of abstract complex (analytic) manifolds-a subject that began in the late 1940's and early 1950's. It is largely self-contained, except for some standard results about elliptic partial differential equations, for which complete references are given. -D. C. Spencer, MathSciNet The book under review is the faithful reprint of the original edition of one of the most influential textbooks in modern complex analysis and geometry. The classic

  17. Separation Studies of Pd(II from Acidic Chloride Solutions of Pt(IV, Ni(II and Rh(III by Using 4-Aroyl-3-Phenyl-5-Isoxazolones

    Directory of Open Access Journals (Sweden)

    Koduru Janardhan Reddy

    2012-01-01

    Full Text Available This study examined the effect influence of various factors on the extraction of Pd(II to develop a new liquid-liquid extraction mechanism for the selective separation of palladium(II from its acidic chloride solutions using 4-aroyl-3-phenyl-5-isoxazolones (HA, such as 3-phenyl-4-(4-fluorobenzoyl-5- isoxazolone (HFBPI, 3-phenyl-4-benzoyl-5-isoxazolone (HPBI and 3-phenyl-4- (4-toluoyl-5-isoxazolone (HTPI. The extraction strength of Pd(II with HA were in the following order: HFBPI > HPBI > HTPI, which is opposite to that observed with their pKa values. HPBI was used to separate Pd(II from Pt(IV, Ni(II and Rh(III metal ions and calculated their separation factors (S.F. were followed in the order: Pd/Ni (40±0.4 > Pd/Pt (25±0.2 > Pd/Rh (15±0.3 > Rh/Ni (2.7±0.3 > Pt/Ni ≈ Rh/Pt (1.7±0.2. The loading and striping of Pd(II (1.12×10-4 mol L-1 were also examined using 1.0×10-3 mol L-1 HPBI in CHCl3 and 1.0 mol L-1 HCl, respectively. The results demonstrated that the maximum (97.5% extraction and desorption (89% of metal required at least 3.0 cycles. The developed method was applied successfully to the separation of palladium from synthetic water samples.

  18. Tetracarboxylate-based Co(II), Ni(II) and Cu(II) three-dimensional coordination polymers: syntheses, structures and magnetic properties.

    Science.gov (United States)

    Su, Shengqun; Guo, Zhiyong; Li, Guanghua; Deng, Ruiping; Song, Shuyan; Qin, Chao; Pan, Chengling; Guo, Huadong; Cao, Feng; Wang, Song; Zhang, Hongjie

    2010-10-14

    Methylenediisophthalic acid (H(4)MDIP), as semi-rigid 'V'-shaped carboxylate ligands, react with CoO, NiO and Cu(NO(3))(2)·3H(2)O to give three novel coordination polymers [H(3)O](2)[Co(3)(MDIP)(2)]·2DMF (1), [Ni(2)(HMDIP)(μ(2)-OH)(H(2)O)(3)(DMF)]·4H(2)O·DMF (2) and [Cu(3)(MDIP)(μ(2)-OH)(2)(H(2)O)(4)]·6.5H(2)O (3) (DMF = N,N'-dimethylformamide). All compounds have been characterized by thermogravimetric analysis, IR spectroscopy, elemental and single-crystal X-ray diffraction analyses. Complex 1 is an unusual open anionic framework that is defined as the metal-organic replica of fluorite. Both 2 and 3 features a 3D open framework with one-dimensional elliptical channels and R- and L-helical chains, and their resulting frameworks can be rationalized as crb and pts topology respectively. An interesting feature of complex 3 is the presence of the linear Cu(3) units that is formed by carboxylate and μ(2)-hydroxyl groups linking three Cu(II) metal centers. Magnetic investigations indicate that ferromagnetic couplings are dominant in the three compounds.

  19. Communication Complexity

    Indian Academy of Sciences (India)

    Jaikumar Radhakrishnan

    Communication complexity. Motivation . . . An abstract model to study the communicaiton required for computation. A tool for showing lower bounds in several computational models. The study often requires deep understanding of computation using tools from combinatorics, coding theory, algebra, analysis, etc. Jaikumar ...

  20. Lecithin Complex

    African Journals Online (AJOL)

    1Department of Food Science and Engineering, Xinyang College of Agriculture and Forestry, Xinyang 464000, 2Henan. Economy and Trade ... Methanol of HPLC grade was purchased from Tedia (USA). Other chemicals used were of analytical grade. Preparation of polydatin-lecithin complex. Polydatin (200 mg) and ...

  1. Complex Networks

    CERN Document Server

    Evsukoff, Alexandre; González, Marta

    2013-01-01

    In the last decade we have seen the emergence of a new inter-disciplinary field focusing on the understanding of networks which are dynamic, large, open, and have a structure sometimes called random-biased. The field of Complex Networks is helping us better understand many complex phenomena such as the spread of  deseases, protein interactions, social relationships, to name but a few. Studies in Complex Networks are gaining attention due to some major scientific breakthroughs proposed by network scientists helping us understand and model interactions contained in large datasets. In fact, if we could point to one event leading to the widespread use of complex network analysis is the availability of online databases. Theories of Random Graphs from Erdös and Rényi from the late 1950s led us to believe that most networks had random characteristics. The work on large online datasets told us otherwise. Starting with the work of Barabási and Albert as well as Watts and Strogatz in the late 1990s, we now know th...

  2. New 3,4-diaminobenzoic acid Schiff base compounds and their complexes: synthesis, characterization and thermodynamics.

    Science.gov (United States)

    Mohammadi, Khosro; Niad, Mahmood; Jafari, Tahereh

    2014-03-25

    Some new tetradentate Schiff base ligands (H3L) were prepared via condensation of 3,4-diaminobenzoic acid with 2-hydroxybenzaldehyde derivatives, such as 3,4-bis((E)-2,4-dihydroxybenzylideneamino)benzoic acid (H3L(1)), 3,4-bis((E)-2-hydroxy-3-methoxybenzylideneamino)benzoic acid (H3L(2)) and 3,4-bis((E)-5-bromo-2-hydroxybenzylideneamino)benzoic acid (H3L(4)). Additionally, a tetradentate Schiff base ligand 3,4-bis((E)-2-hydroxybenzylideneamino)benzoic acid (H3L(3)) and its complexes were synthesized. Their metal complexes of Co(II), Ni(II), Cu(II) and Zn(II) were prepared in good yields from the reaction of the ligands with the corresponding metal acetate. They were characterized based on IR, (1)H NMR, Mass spectroscopy and UV-Vis spectroscopy. Also, the formation constants of the complexes were measured by UV-Vis spectroscopic titration at constant ionic strength 0.1M (NaClO4), at 25 °C in dimethylformamide (DMF) as a solvent. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  3. Effect of G-quadruplex polymorphism on the recognition of telomeric DNA by a metal complex.

    Directory of Open Access Journals (Sweden)

    Caterina Musetti

    Full Text Available The physiological role(s played by G-quadruplexes renders these 'non-canonical' DNA secondary structures interesting new targets for therapeutic intervention. In particular, the search for ligands for selective recognition and stabilization of G-quadruplex arrangements has led to a number of novel targeted agents. An interesting approach is represented by the use of metal-complexes, their binding to DNA being modulated by ligand and metal ion nature, and by complex stoichiometry. In this work we characterized thermodynamically and stereochemically the interactions of a Ni(II bis-phenanthroline derivative with telomeric G-quadruplex sequences using calorimetric, chiroptical and NMR techniques. We employed three strictly related sequences based on the human telomeric repeat, namely Tel22, Tel26 and wtTel26, which assume distinct conformations in potassium containing solutions. We were able to monitor specific enthalpy/entropy changes according to the structural features of the target telomeric sequence and to dissect the binding process into distinct events. Interestingly, temperature effects turned out to be prominent both in terms of binding stoichiometry and ΔH/ΔS contributions, while the final G-quadruplex-metal complex architecture tended to merge for the examined sequences. These results underline the critical choice of experimental conditions and DNA sequence for practical use of thermodynamic data in the rational development of effective G-quadruplex binders.

  4. Synthesis, Spectroscopic, and Thermal Investigations of Metal Complexes with Mefenamic Acid

    Directory of Open Access Journals (Sweden)

    Karolina Kafarska

    2017-01-01

    Full Text Available The novel metal complexes with empirical formulae M(mef2·nH2O (where M = Mn(II, Co(II, Ni(II, Cu(II, Zn(II, and Cd(II; mef is the mefenamic ligand were synthesized and characterized by elemental analysis, molar conductance, FTIR-spectroscopy, and thermal decomposition techniques. All IR spectra revealed absorption bands related to the asymmetric (νas and symmetric (νs vibrations of carboxylate group. The Nakamoto criteria clearly indicate that this group is bonded in a bidentate chelate mode. The thermal behavior of complexes was studied by TGA methods under non-isothermal condition in air. Upon heating, all compounds decompose progressively to metal oxides, which are the final products of pyrolysis. Cu(II, Zn(II, and Cd(II complexes were also characterized by the coupled TG-FTIR technique, which finally proved the path and gaseous products of thermal decomposition. Additionally, the coupled TG-MS system was used to determine the principal volatile products of thermolysis and fragmentation processes of Mn(mef2·3H2O and Co(mef2·2H2O.

  5. Complex chemistry with complex compounds

    Directory of Open Access Journals (Sweden)

    Eichler Robert

    2016-01-01

    Full Text Available In recent years gas-phase chemical studies assisted by physical pre-separation allowed for the investigation of fragile single molecular species by gas-phase chromatography. The latest success with the heaviest group 6 transactinide seaborgium is highlighted. The formation of a very volatile hexacarbonyl compound Sg(CO6 was observed similarly to its lighter homologues molybdenum and tungsten. The interactions of these gaseous carbonyl complex compounds with quartz surfaces were investigated by thermochromatography. Second-generation experiments are under way to investigate the intramolecular bond between the central metal atom of the complexes and the ligands addressing the influence of relativistic effects in the heaviest compounds. Our contribution comprises some aspects of the ongoing challenging experiments as well as an outlook towards other interesting compounds related to volatile complex compounds in the gas phase.

  6. Fluorescence Titrations of Bio-relevant Complexes with DNA: Synthesis, Structural Investigation, DNA Binding/Cleavage, Antimicrobial and Molecular Docking Studies.

    Science.gov (United States)

    Arun, Thesingu Rajan; Subramanian, Ramasamy; Packianathan, Seemon; Raman, Natarajan

    2015-07-01

    In the present work, we attempted to develop new metal complexes (Cu(II), Co(II), Ni(II) and Zn(II)) of the imine ligand which was synthesized from 9,10-phenanthrenequinone and para-anisidine. With an intention to make the complexes most stable, very special chelating amino acid has been coordinated to the metal centre. The resultant metal complexes have been characterized by variety of techniques including FT-IR, UV-Vis., (1)H NMR, (13)C NMR, powder XRD, EPR and mass spectral studies. The interaction of the complexes with DNA has been effectively examined and explored by fluorescence titration, UV-Vis absorption, viscometer titration, cyclic voltammetry (CV) and differential pulse voltammetry. Moreover, molecular docking analysis has been performed to understand the nature of binding of the complexes with DNA. These studies prove that CT DNA interaction of the complexes follows intercalation mode. The metal complexes exhibit effective cleavage of pUC19 DNA by an oxidative cleavage mechanism. The antimicrobial screening indicates that these complexes are good antimicrobial agents against various organisms.

  7. Biological Active Cobalt(II and Nickel(II Complexes of 12-Membered Hexaaza [N6] Macrocyclic Ligand Synthetic and Spectroscopic Aspects

    Directory of Open Access Journals (Sweden)

    Umendra Kumar

    2010-01-01

    Full Text Available New cobalt(II and nickel(II complexes of 12-membered macrocyclic Schiff - base ligand containing thiosemicarbazone moiety as a part of ring have been prepared having general composition [MLX2] where M = Co(II or Ni(II, L=3,4,9,10–tetra-2-furanyl-1,2,5,6,8,11- hexaazacyclododeca-7,12- dithione - 2,4,8,10 – tetraene, X = Cl-, NO3-, NCS-. The complexes have been characterized by elemental analysis, molar conductance, magnetic susceptibility measurements, spectral (IR, electronic, EPR techniques and thermal analysis. Spectroscopic studies suggested a six coordinated octahedral geometry for all the complexes. The IR spectra of complexes suggest that ligand is coordinated to the metal ion through its four imines nitrogen. Conductivity measurements supported the non electrolytic nature of the complexes. The antifungal activities of complexes have been studied against a number of pathogenic fungi under laboratory conditions. The complexes showed good antifungal results. Thermal analysis of reported complexes suggests the absence of water molecule either in or outside the coordination sphere.

  8. Synthesis of cis - and trans-diisothiocyanato-bis(NHC) complexes of nickel(II) and applications in the Kumada-Corriu reaction

    KAUST Repository

    Jothibasu, Ramasamy

    2010-09-13

    Metathetical reaction of AgSCN with a series of trans-dihalido-bis(carbene) nickel(II) complexes in CH3CN readily afforded the novel diisothiocyanato-bis(carbene) complexes [Ni(NCS)2(NHC)2] (trans-2a, NHC = 1,3-diisopropylbenzimidazolin-2-ylidene; trans-2b, NHC = 1,3-diisobutylbenzimidazolin-2-ylidene; trans-2c, NHC = 1,3- dibenzylbenzimidazolin-2-ylidene; cis-2d, NHC = 1,3-di(2-propenyl) benzimidazolin-2-ylidene; cis-2e, NHC = 1-propyl-3-methylbenzimidazolin-2- ylidene) as greenish-yellow powders in moderate to good yields. While dihalido-bis(carbene) Ni(II) complexes exclusively form trans-complexes, a trans-cis isomerization occurs upon halido-isothiocyanato exchange with complexes bearing less bulky carbene ligands, i.e., cis-2d/e. DFT calculations indicated that this isomerization can be attributed to a reduced energy difference between trans- and cis-isomers of diisothiocyanato complexes. All complexes have been characterized by multinuclear NMR spectroscopy, ESI mass spectrometry, and X-ray diffraction analysis. A catalytic study revealed that cis-complexes generally exhibit greater activities in the Kumada-Corriu coupling reaction. © 2010 American Chemical Society.

  9. Heteroleptic metal(II) complexes of hydrotris(methimazolyl)borate and diimines: Synthesis, theoretical calculations, antimicrobial, antioxidant, in vitro cytotoxicity and molecular docking studies.

    Science.gov (United States)

    Jayakumar, S; Mahendiran, D; Rehana, Dilaveez; Kalilur Rahiman, A

    2017-08-01

    A series of heteroleptic metal(II) complexes of formulation [M(Tm)(diimine)](ClO 4 ) (1-8), [Tm = hydrotris(methimazolyl)borate, diimine = 2,2'-bipyridyl or 1,10-phenanthroline and M = Mn(II), Ni(II), Cu(II) or Zn(II)] have been synthesized and characterized by spectroscopic methods. The geometric parameters of the complexes were determined using UV-Vis spectroscopy and DFT calculations. The analyses of HOMO and LUMO have been used to explain the charge transfer within the molecule. Antimicrobial activity of the synthesized heteroleptic complexes were evaluated against two Gram (-ve) (Escherichia coli and Klebsiella pneumoniae) and two Gram (+ve) (Bacillus cereus and Staphylococcus aureus) bacterial, and three fungal (Candida albicans, Candida glabrata and Candida krusei) strains with respect to the standard drugs erythromycin and amphotericin-B. The copper(II) complex 6 showed better scavenging activity against DPPH when compared to other complexes. The cytotoxic activity of copper(II) complexes 5 and 6 against MCF-7 cell line was assessed by MTT assay, which showed exponential responses toward increasing concentration of complexes. In the molecular docking studies, the complexes showed π-π, σ-π, hydrogen bonding, van der Waals and electrostatic interactions with FGFR kinase receptor. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Copper(II), cobalt(II) and nickel(II) complexes of juglone: synthesis, structure, DNA interaction and enhanced cytotoxicity.

    Science.gov (United States)

    Tabrizi, Leila; Fooladivanda, Mahrokh; Chiniforoshan, Hossein

    2016-12-01

    Three novel copper(II), cobalt(II), and nickel(II) complexes of juglone (Jug) containing 1,10-phenanthroline (phen) ligand, [M(Jug) 2 (phen)] (M = Cu(II), 1, Co(II), 2, and Ni(II), 3), have been synthesized and characterized using, elemental analysis and spectroscopic studies. Their interactions with calf thymus DNA were investigated using viscosity measurements, UV-visible and fluorescence spectrophotometric methods. The catalytic activities on DNA cleavage of the complexes 1-3 were studied, which copper complex 1 showed better catalyst activity in the DNA cleavage process than complexes 2 and 3. The in vitro cytotoxic potential of the complexes 1-3 against human cervical carcinoma (HeLa), human liver hepatocellular carcinoma (HepG-2), and human colorectal adenocarcinoma (HT-29) cells indicated their promising antitumor activity with quite low IC 50 values in the range of 0.09-1.89 μM, which are 75 times lower than those of cisplatin.

  11. Synthesis, physico-chemical and antimicrobial screening studies on 14 and 16-membered hexaazamacrocyclic complexes bearing pendant amine groups

    Directory of Open Access Journals (Sweden)

    Shakir Mohammad

    2006-01-01

    Full Text Available The synthesis and characterization of a series of 14 and 16-membered hexaazamacrocyclic complexes, which were obtained via template condensation of 1,2- diaminoethane or 1,3-diaminopropane, formaldehyde and hydrazine hydrate in the presence of first row transition metal salts are reported. Complexes of the types, [ML¹(NO32]; [CuL¹](NO32 and [ML²Cl2]; [CuL²]Cl2 (where M = Co(II, Ni(II and Zn(II, were obtained. Elemental analyses, IR spectra, ¹H NMR, EPR, UV-Vis, magnetic susceptibility and conductivity measurements have ascertained the overall geometry and stereochemistry of the complexes. An octahedral geometry has been suggested for all the complexes, except for copper compounds, in which the metal centre coordinates to the four nitrogen atoms of macrocyclic ligand in a square planar fashion. These complexes were screened against different fungi and bacteria in vitro and were found to be potentially active in the concentration 5 mg mL-1.

  12. Managing Complexity

    Energy Technology Data Exchange (ETDEWEB)

    Chassin, David P.; Posse, Christian; Malard, Joel M.

    2004-08-01

    Physical analogs have shown considerable promise for understanding the behavior of complex adaptive systems, including macroeconomics, biological systems, social networks, and electric power markets. Many of today’s most challenging technical and policy questions can be reduced to a distributed economic control problem. Indeed, economically-based control of large-scale systems is founded on the conjecture that the price-based regulation (e.g., auctions, markets) results in an optimal allocation of resources and emergent optimal system control. This paper explores the state of the art in the use physical analogs for understanding the behavior of some econophysical systems and to deriving stable and robust control strategies for them. In particular we review and discussion applications of some analytic methods based on the thermodynamic metaphor according to which the interplay between system entropy and conservation laws gives rise to intuitive and governing global properties of complex systems that cannot be otherwise understood.

  13. Time complexity and gate complexity

    International Nuclear Information System (INIS)

    Koike, Tatsuhiko; Okudaira, Yosuke

    2010-01-01

    We formulate and investigate the simplest version of time-optimal quantum computation theory (TO-QCT), where the computation time is defined by the physical one and the Hamiltonian contains only one- and two-qubit interactions. This version of TO-QCT is also considered as optimality by sub-Riemannian geodesic length. The work has two aims: One is to develop a TO-QCT itself based on a physically natural concept of time, and the other is to pursue the possibility of using TO-QCT as a tool to estimate the complexity in conventional gate-optimal quantum computation theory (GO-QCT). In particular, we investigate to what extent is true the following statement: Time complexity is polynomial in the number of qubits if and only if gate complexity is also. In the analysis, we relate TO-QCT and optimal control theory (OCT) through fidelity-optimal computation theory (FO-QCT); FO-QCT is equivalent to TO-QCT in the limit of unit optimal fidelity, while it is formally similar to OCT. We then develop an efficient numerical scheme for FO-QCT by modifying Krotov's method in OCT, which has a monotonic convergence property. We implemented the scheme and obtained solutions of FO-QCT and of TO-QCT for the quantum Fourier transform and a unitary operator that does not have an apparent symmetry. The former has a polynomial gate complexity and the latter is expected to have an exponential one which is based on the fact that a series of generic unitary operators has an exponential gate complexity. The time complexity for the former is found to be linear in the number of qubits, which is understood naturally by the existence of an upper bound. The time complexity for the latter is exponential in the number of qubits. Thus, both the targets seem to be examples satisfyng the preceding statement. The typical characteristics of the optimal Hamiltonians are symmetry under time reversal and constancy of one-qubit operation, which are mathematically shown to hold in fairly general situations.

  14. Welding complex

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, V.K.; Kuchuk-Yatsenko, S.I.; Sakharnov, V.A.; Galyan, B.A.; Krivenko, V.G.; Asoyants, G.B.

    1992-10-27

    A welding complex for construction of a continuous underwater pipeline is adapted to be installed aboard a ship. The complex includes a welding machine positionable at a joint of the pipeline with a pipe section to be welded, burr-removing trimmers positionable coaxially with the pipeline for displacement relative to the pipeline in the joint area, and a support device for the end part of the pipeline. A rotatably mounted holding device for setting, holding, and retaining the pipe section to be welded, the welding machine, and the trimmers is axially aligned with the end part of the pipeline. An accumulator is provided for storing and delivering successive pipe sections at a loading position laterally offset from the common axis of the pipeline and of the pipe section to be welded to it. The holding device includes a platform movable along the common axis of the pipeline and of the pipe section to be welded to it by a resistance butt welding machine, and a plate with a means for carrying the pipe section to be welded which is mounted on a pivot carried by the platform for rotation between the loading position and the aligning position. The welding complex of the invention provides for implementing resistance butt welding in construction of continuous underwater pipelines and ensures the accuracy of alignment and permanence of the gap between the edges being welded. The welding complex's structure allows handling of longer pipe sections, thus reducing the overall number of joints to be welded. 7 figs.

  15. Coordination chemistry and bioactivity of Ni2+, Cu2+, and Zn2+ complexes containing a bidentate NS ligand, β-N-phenyldithiocarbazic acid, and the crystal structure of β-hydroxy-β-phenylmethylene α-phenylimine

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Ahmed Faizal Shamsuddin; Grouse, Karen A.; Yamin, B.M.; Ali, A.M.; Fun, H.-K.

    2003-07-01

    A bidentate ligand (PhDTCH) with NS donor sequence was prepared from the reaction between carbon disulfide and phenylhydrazine in ethanol. Complexes of this ligand with Ni(II), Cu(II) and Zn(II) were synthesized and characterized by elemental analyses, and various physicochemical techniques. The metal complexes were all four coordinated. In an attempt to resolve the crystal structure of PhDTCH, an ethanolic solution, after leaving for a few days gave bright crystals of PhD6, β-hydroxy-β-phenylmethylene α-phenylimine, the crystal structure of which has been resolved. The crystal packing indicated that it is monoclinic with a space group of P21/n. All of the compounds were tested against different bacteria and fungi, and also against leukemic cell lines. All of the compounds showed weak biological properties compared to standard drugs. (author)

  16. Synthesis of Two Potentially Heptadentate (N4O3 Schiff-base Ligands Derived from Condensation of Tris(3-aminopropyl-amine and Salicylaldehyde or 4-Hydroxysalicylaldehyde. Nickel(II and Copper(II Complexes of the Former Ligand

    Directory of Open Access Journals (Sweden)

    R. V. Parish

    2002-02-01

    Full Text Available Two potentially heptadentate (N4O3 tripodal Schiff-base ligands: tris(3-(salicylideneiminopropylamine (H3L1 and tris(3-(4’-hydroxysalicylideneimino-propylamine (H3L2 have been prepared and characterized by various spectroscopic methods (IR, FAB-MS, NMR. They are derived from the condensation reactions of tris(3-aminopropylamine (tpt, with 3 equivalents of either salicylaldehyde or the ringsubstituted salicylaldehyde, 4-hydroxysalicylaldehyde. The nickel(II and copper(II complexes of H3L1 were obtained from the its reactions Ni(II and Cu(II salts in absolute methanol. These complexes were studied by IR and FAB-Mass spectrometry.

  17. Spectroscopic, thermal analysis and DFT computational studies of salen-type Schiff base complexes

    Science.gov (United States)

    Ebrahimi, Hossein Pasha; Hadi, Jabbar S.; Abdulnabi, Zuhair A.; Bolandnazar, Zeinab

    2014-01-01

    A new series of metal(II) complexes of Co(II), Ni(II), Cu(II), Zn(II), and Pb(II) have been synthesized from a salen-type Schiff base ligand derived from o-vanillin and 4-methyl-1,2-phenylenediamine and characterized by elemental analysis, spectral (IR, UV-Vis, 1H NMR, 13C NMR and EI-mass), molar conductance measurements and thermal analysis techniques. Coats-Redfern method has been utilized to calculate the kinetic and thermodynamic parameters of the metal complexes. The molecular geometry, Mulliken atomic charges of the studied compounds were investigated theoretically by performing density functional theory (DFT) to access reliable results to the experimental values. The theoretical 13C chemical shift results of the studied compounds have been calculated at the B3LYP, PBEPBE and PW91PW91 methods and standard 6-311+G(d,p) basis set starting from optimized geometry. The comparison of the results indicates that B3LYP/6-311+G(d,p) yields good agreement with the observed chemical shifts. The measured low molar conductance values in DMF indicate that the metal complexes are non-electrolytes. The spectral and thermal analysis reveals that all complexes have octahedral geometry except Cu(II) complex which can attain the square planner arrangement. The presence of lattice and coordinated water molecules are indicated by thermograms of the complexes. The thermogravimetric (TG/DTG) analyses confirm high stability for all complexes followed by thermal decomposition in different steps.

  18. Study of retention properties of fluoro-apatite carbonate relative to Ni(II), Am(III) and Th(IV)

    International Nuclear Information System (INIS)

    Perrone, Jane

    1999-01-01

    Apatite minerals and particularly the carbonated species (francolites), are characterized by their chemical and geological stability and also by their capacity to retain durably a large number of elements. Therefore, they should be able to improve the retention properties of the engineered barriers of a deep geological nuclear waste repository. But there is a wide variety of francolites, so we focused our study on a synthetic carbonate fluoro-apatite of formula: Ca 10 (PO 4 ) 5 (CO 3 )(F,OH) 3 and on a natural apatite. We first studied their solubility which is an important criterion for the choice of the materials. A particular attention was also paid to the determination of their surface characteristics and to the study of the radionuclide/solution interactions. Sorption experiments have been performed for the three radionuclides and the influence of various parameters has been investigated. The modelling of the sorption isotherms with surface complexation models leads us to estimate the values of the constants associated to the equilibria under consideration. We have also demonstrated that the phosphate ions of the solution participate to the immobilization of americium as the AmPO 4 ,xH 2 O compound. Both apatites show high retention levels for the actinides: the sorption is quite total over all the pH range studied and the Kd values are close to 10 4 m 3 kg -1 . Consequently, the use of apatites could be considered as a specific solution for the immobilisation of heavy elements, specially actinides. Moreover, the results indicate that high amounts of carbonates and impurities do not alter the retention properties of francolites. This bears out the feasibility of the use of natural apatites as additives for the engineered barrier materials. (author)

  19. Complex variables

    CERN Document Server

    Flanigan, Francis J

    2010-01-01

    A caution to mathematics professors: Complex Variables does not follow conventional outlines of course material. One reviewer noting its originality wrote: ""A standard text is often preferred [to a superior text like this] because the professor knows the order of topics and the problems, and doesn't really have to pay attention to the text. He can go to class without preparation."" Not so here-Dr. Flanigan treats this most important field of contemporary mathematics in a most unusual way. While all the material for an advanced undergraduate or first-year graduate course is covered, discussion

  20. Complex dynamics

    CERN Document Server

    Carleson, Lennart

    1993-01-01

    Complex dynamics is today very much a focus of interest. Though several fine expository articles were available, by P. Blanchard and by M. Yu. Lyubich in particular, until recently there was no single source where students could find the material with proofs. For anyone in our position, gathering and organizing the material required a great deal of work going through preprints and papers and in some cases even finding a proof. We hope that the results of our efforts will be of help to others who plan to learn about complex dynamics and perhaps even lecture. Meanwhile books in the field a. re beginning to appear. The Stony Brook course notes of J. Milnor were particularly welcome and useful. Still we hope that our special emphasis on the analytic side will satisfy a need. This book is a revised and expanded version of notes based on lectures of the first author at UCLA over several \\Vinter Quarters, particularly 1986 and 1990. We owe Chris Bishop a great deal of gratitude for supervising the production of cour...

  1. Complex Systems

    Directory of Open Access Journals (Sweden)

    Yi Zhao

    2012-01-01

    Full Text Available Quantum instanton (QI approximation is recently proposed for the evaluations of the chemical reaction rate constants with use of full dimensional potential energy surfaces. Its strategy is to use the instanton mechanism and to approximate time-dependent quantum dynamics to the imaginary time propagation of the quantities of partition function. It thus incorporates the properties of the instanton idea and the quantum effect of partition function and can be applied to chemical reactions of complex systems. In this paper, we present the QI approach and its applications to several complex systems mainly done by us. The concrete systems include, (1 the reaction of H+CH4→H2+CH3, (2 the reaction of H+SiH4→H2+SiH3, (3 H diffusion on Ni(100 surface; and (4 surface-subsurface transport and interior migration for H/Ni. Available experimental and other theoretical data are also presented for the purpose of comparison.

  2. Transition metal complexes of an isatinic quinolyl hydrazone

    Directory of Open Access Journals (Sweden)

    Seleem Hussein S

    2011-06-01

    Full Text Available Abstract Background The importance of the isatinic quinolyl hydrazones arises from incorporating the quinoline ring with the indole ring in the same compound. Quinoline ring has therapeutic and biological activities. On the other hand, isatin (1H-indole-2,3-dione and its derivatives exhibit a wide range of biological activities. Also, the indole ring occurs in Jasmine flowers and Orange blossoms. Recently, the physiological and biological activities of quinolyl hydrazones arise from their tendency to form metal chelates with transition metal ions. In this context, we have reported to isolate, characterize and study the biological activity of some transition metal complexes of an isatinic quinolyl hydrazone; 3-[2-(4-methyl quinolin-2-ylhydrazono] indolin-2-one. Results Mono- and binuclear as well as dimeric chelates were obtained from the reaction of a new isatinic quinolyl hydrazone with Fe(III, Co(II, Ni(II, Cu(II, VO(II and Pd(II ions. The ligand showed a variety of modes of bonding viz. (NNO2-, (NO- and (NO per each metal ion supporting its ambidentate and flexidentate characters. The mode of bonding and basicity of the ligand depend mainly on the type of the metal cation and its counter anion. All the obtained Pd(II- complexes have the preferable square planar geometry (D4h- symmetry and depend mainly on the mole ratio (M:L. Conclusion The effect of the type of the metal ion for the same anion (Cl- is obvious from either structural diversity of the isolated complexes (Oh, Td and D4h or the various modes of bonding. The isatinic hydrazone uses its lactim form in all complexes (Cl- except complex 5 (SO42- in which it uses its lactam form. The obtained Pd(II- complexes (dimeric, mono- and binuclear are affected by the mole ratio (M:L and have the square planar (D4h geometry. Also, the antimicrobial activity is highly influenced by the nature of the metal ion and the order for S. aureus bacteria is as follows: Nickel(II > Vanadyl(II > Cobalt

  3. New 15-membered tetraaza (N4) macrocyclic ligand and its transition metal complexes: Spectral, magnetic, thermal and anticancer activity

    Science.gov (United States)

    El-Boraey, Hanaa A.; EL-Gammal, Ohyla A.

    2015-03-01

    Novel tetraamidemacrocyclic 15-membered ligand [L] i.e. naphthyl-dibenzo[1,5,9,12]tetraazacyclopentadecine-6,10,11,15-tetraoneand its transition metal complexes with Fe(II), Co(II), Ni(II), Cu(II), Ru(III) and Pd(II) have been synthesized and characterized by elemental analysis, spectral, thermal as well as magnetic and molar conductivity measurements. On the basis of analytical, spectral (IR, MS, UV-Vis, 1H NMR and EPR) and thermal studies distorted octahedral or square planar geometry has been proposed for the complexes. The antitumor activity of the synthesized ligand and some complexes against human breast cancer cell lines (MCF-7) and human hepatocarcinoma cell lines (HepG2) has been studied. The complexes (IC50 = 2.27-2.7, 8.33-31.1 μg/mL, respectively) showed potent antitumor activity, towards the former cell lines comparable with their ligand (IC50 = 13, 26 μg/mL, respectively). The results show that the activity of the ligand towards breast cancer cell line becomes more pronounced and significant when coordinated to the metal ion.

  4. Novel thiourea derivative and its complexes: Synthesis, characterization, DFT computations, thermal and electrochemical behavior, antioxidant and antitumor activities

    Science.gov (United States)

    Yeşilkaynak, Tuncay; Muslu, Harun; Özpınar, Celal; Emen, Fatih Mehmet; Demirdöğen, Ruken Esra; Külcü, Nevzat

    2017-08-01

    A novel thiourea derivative, N-((2-chloropyridin-3-yl)carbamothioyl) thiophene-2-carboxamide,C11H8ClN3OS2 (HL) and its Co(II), Ni(II) and Cu(II) complexes (ML2 type) were prepared and characterized by elemental analysis, FT-IR,1H NMR and HR-MS methods. The crystal structure of HL was also investigated by single crystal X-ray diffraction study. The HL crystallizes in the orthorhombic crystal system with P 21 21 21 space group, Z = 4, a = 3.8875(3) Å, b = 14.6442(13) Å, c = 21.8950(19) Å. The [ML2] complex structures were optimized by using B97D/TZVP level. Molecular orbitals of HL ligand were calculated at the same level. Thermal and electrochemical behaviors of the complexes were investigated. Anticancer and antioxidant activities of the complexes were also investigated. Antioxidant activities were determined by using DPPH (2,2-diphenyl-1-picrylhydrazyl) and ABTS (2,2‧-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) assays. Anticancer activities were studied via MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay in MCF-7 (Michigan Cancer Foundation-7) breast cancer cells.

  5. Cosmic Complexity

    Science.gov (United States)

    Mather, John C.

    2012-01-01

    What explains the extraordinary complexity of the observed universe, on all scales from quarks to the accelerating universe? My favorite explanation (which I certainty did not invent) ls that the fundamental laws of physics produce natural instability, energy flows, and chaos. Some call the result the Life Force, some note that the Earth is a living system itself (Gaia, a "tough bitch" according to Margulis), and some conclude that the observed complexity requires a supernatural explanation (of which we have many). But my dad was a statistician (of dairy cows) and he told me about cells and genes and evolution and chance when I was very small. So a scientist must look for me explanation of how nature's laws and statistics brought us into conscious existence. And how is that seemll"!gly Improbable events are actually happening a!1 the time? Well, the physicists have countless examples of natural instability, in which energy is released to power change from simplicity to complexity. One of the most common to see is that cooling water vapor below the freezing point produces snowflakes, no two alike, and all complex and beautiful. We see it often so we are not amazed. But physlc!sts have observed so many kinds of these changes from one structure to another (we call them phase transitions) that the Nobel Prize in 1992 could be awarded for understanding the mathematics of their common features. Now for a few examples of how the laws of nature produce the instabilities that lead to our own existence. First, the Big Bang (what an insufficient name!) apparently came from an instability, in which the "false vacuum" eventually decayed into the ordinary vacuum we have today, plus the most fundamental particles we know, the quarks and leptons. So the universe as a whole started with an instability. Then, a great expansion and cooling happened, and the loose quarks, finding themselves unstable too, bound themselves together into today's less elementary particles like protons and

  6. Synthesis, spectroscopic, thermal and biological activity studies on triazine metal complexes

    Science.gov (United States)

    Mohamed, Gehad G.; Badawy, M. A.; Omar, M. M.; Nassar, M. M.; Kamel, A. B.

    2010-11-01

    The coordination behaviour of the triazine ligand with NNO donation sites, derived from 3-benzyl-7-hydrazinyl-4H-[1,3,4]thiadiazolo[2,3c][1,2,4]triazin-4-one (HL), towards some metal ions namely Mn(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) are reported. The metal complexes are characterized based on elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance and thermal analyses (TG, DTG and DTA). The ionization constants of the organic ligand under investigation as well as the stability constants of its metal chelates are calculated spectrophotometrically at 25 °C. The chelates are found to have octahedral geometrical structures. The ligand (HL) and its binary chelates are subjected to thermal analyses (TG, DTG and DTA) and the different activation thermodynamic parameters are calculated from their corresponding DTG curves to throw more light on the nature of changes accompanying the thermal decomposition process of these compounds. The synthesized ligand and its metal complexes were found to have biological activity against the desert locust Schistocerca gregaria (Forsk.) (Orthoptera - Acrididae) and its adult longevities.

  7. Synthesis, anticancer activity and molecular docking study of Schiff base complexes containing thiazole moiety

    Directory of Open Access Journals (Sweden)

    Mokhles M. Abd-Elzaher

    2016-03-01

    Full Text Available A Schiff base ligand 1 was prepared from condensation of salicyaldehyde with 2-amino-4-phenyl-5-methyl thiazole. The ligand forms complexes with CoII, NiII, CuII, and ZnII in good yield. The synthesized compounds were characterized by elemental analysis, magnetic susceptibility, molar conductance, infrared spectra, 1H and 13C NMR, mass, electronic absorption and ESR spectroscopy. The anticancer activity of the synthesized compounds was studied against different human tumor cell lines: breast cancer MCF-7, liver cancer HepG2, lung carcinoma A549 and colorectal cancer HCT116 in comparison with the activity of doxorubicin as a reference drug. The study showed that ZnII complex showed potent inhibition against human TRK in the four cell lines (HepG2, MCF7, A549, HCT116 by the ratio 80, 70, 61 and 64% respectively as compared to the inhibition in the untreated cells. Moreover, the molecular docking into TRK (PDB: 1t46 was done for the optimization of the aforementioned compounds as potential TRK inhibitors.

  8. Thermal and spectral studies of 3-N-methyl-morpholino-4-amino-5-mercapto-1,2,4-triazole and 3-N-methyl-piperidino-4-amino-5-mercapto-1,2,4-triazole complexes of cobalt(II), nickel(II) and copper(II)

    International Nuclear Information System (INIS)

    Maravalli, P.B.; Goudar, T.R.

    1999-01-01

    Novel complexes obtained by 3-N-methyl-morpholino-4-amino-5-mercapto-1,2,4-triazole and 3-N-methyl-piperidino-4-amino-5-mercapto-1,2,4-triazole with Co(II), Ni(II) and Cu(II) have been synthesized and characterized by elemental analysis, electronic, IR, ESR and TG studies. TG studies of these complexes showed that thermal degradation proceeds in two steps. Kinetic and thermodynamic parameters were computed from the thermal decomposition data. The activation energy of both the thermal degradation steps is in the 0.22-44.67 kJ mol -1 range. Based on the spectral and TG studies, an octahedral geometry can be proposed for the above complexes. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  9. Synthesis of polyaniline catalysed by Cu(I), Ni(II) and Fe(II) supported on the polyethylene-i-acrylic acid copolymer; Sintesis de polianilina catalizada por Cu(I), Ni(II) y Fe(II), soportados en el copolimero polietileno-i-acido acrilico

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, L.; Urena, F.; Lopez, R. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, 11801 Mexico D.F. (Mexico)

    1997-07-01

    In this study the active sites of acrylic acid (AA) were grafted in low density polyethylene (PEBD) using gamma radiation. Subsequently, the graft copolymer PEBD-i-AA was coordinated with different metals such as copper, nickel and iron. The organometallic copolymers so formed were used as catalysts in the aniline polymerization reaction. Finally, it was realized the characterization of the obtained products, determining their thermal properties, copolymer graft percentage, quantification of the metal contained in the complex as well as polymerization and electric conductivity percentages of the poly aniline film. (Author)

  10. Fixation of metallic sulfosalicylate complexes on an anionic exchange resin

    International Nuclear Information System (INIS)

    Cahuzac, S.

    1969-06-01

    Since sulfosalicylate ions have acid-base properties, sulfosalicylate complexes have an apparent stability which varies with the ph. As a result, the fixation of sulfo-salicylates on an anionic exchange resin depends on the ph of the solution in equilibrium with the resin. This research has been aimed at studying the influence of the ph on the fixation on an anionic exchange resin (Dowex 1 x 4) of sulfosalicylate anions on the one hand, and of metallic sulfosalicylate complexes on the other hand. In the first part of this work, a determination has been made, by frontal analysis of the distribution of sulfosalicylate ions in the resin according to the total sulfosalicylate I concentration in the aqueous solution in equilibrium with the resin. The exchange constants of these ions between the resin and the solution have been calculated. In the second part, a study has been made of the fixation of anionic sulfosalicylate complexes of Fe(III), Al(III), Cr(III), Cu(II), Ni(II), Co(II), Zn(II), Mn(II), Cd(II), Fe(II) and UO 2 2+ . By measuring the partition coefficients of these different elements between the resin and the solution it has been possible to give interpretation for the modes of fixation of the metallic ions, and to calculate their exchange constant between the resin and the solution. The relationship has been established for each metallic element studied, between its partition coefficient, the ph and the total concentration of the complexing agent in solution. Such a relationship makes it possible to predict, for given conditions, the nature of the species in solution and in the resin, as well as the partition coefficient of a metallic, element. Finally, in the third part of the work, use has been made of results obtained previously, to carry out some separations (Ni 2+ - Co 2+ ; Ni 2+ - Co 2+ - Cu 2+ ; UO 2 2+ - Fe 3+ ; UO 2 2+ - Cr 3+ ; UO 2 2+ - Cu 2+ ; UO 2 2+ - Ni 2+ ; UO 2 2+ - Co 2+ ; UO 2 2+ - Mn 2+ and UO 2 2+ - Cd 2+ ), as well as the purification

  11. Ni(II) and Cu(II)

    Indian Academy of Sciences (India)

    Administrator

    ethylidene)-. 1,5-carbohydrazone and bis(1,2-dimethyl-1-hydroxyimino-2- ethylidene)-1,5-carbodihydrazone N4-macrocycles as precursors for vitamin B12 and coenzyme B12 models. D U WARAD, C D SATISH and CHANDRASEKHAR S BAJGUR.

  12. Synthesis, spectroscopic characterisation, DNA cleavage, superoxidase dismutase activity and antibacterial properties of some transition metal complexes of a novel bidentate Schiff base derived from isatin and 2-aminopyrimidine

    Science.gov (United States)

    Nitha, L. P.; Aswathy, R.; Mathews, Niecy Elsa; Sindhu kumari, B.; Mohanan, K.

    2014-01-01

    Complexes of manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II) with a Schiff base, formed by the condensation of isatin with 2-aminopyrimidine have been synthesised and characterised through elemental analysis, molar conductance measurements, magnetic susceptibility, IR, UV-Vis, 1HNMR, FAB mass and EPR spectral studies. The spectral data revealed that the ligand acts as neutral bidentate, coordinating to the metal ion through the carbonyl oxygen and azomethine nitrogen. Molar conductance values adequately support the electrolytic nature of the complexes. On the basis of the above observations the complexes have been formulated as [M(ISAP)2]X2, where M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); X = Cl, OAc; ISAP = 2-[N-indole-2-one]aminopyrimidine. The ligand and copper(II) complex were subjected to X-ray diffraction studies. The DNA cleavage study was monitored by gel electrophoresis method. The superoxide dismutase (SOD) mimetic activities of the ligand and the metal complexes were checked using NBT assay. The in vitro antibacterial activity of the synthesized compounds has been tested against gram negative and gram positive bacteria.

  13. Spectral characterization, optical band gap calculations and DNA binding of some binuclear Schiff-base metal complexes derived from 2-amino-ethanoic acid and acetylacetone

    Science.gov (United States)

    Hussien, Mostafa A.; Nawar, Nagwa; Radwan, Fatima M.; Hosny, Nasser Mohammed

    2015-01-01

    Bi-nuclear metal complexes derived from the reaction of Cu(II), Co(II), Ni(II) and Zn(II) acetates with the Schiff-base ligand (H2L) resulted from the condensation of 2-amino-ethanoic acid (glycine) and acetylacetone have been synthesized and characterized by elemental analyses, Raman spectra, FT-IR, ES-MS, UV-Vis., 1H NMR, ESR, thermal analyses (TG, DTG and DTA) and magnetic measurements. The results showed that, the Schiff base ligand can bind two metal ions in the same time. It coordinates to the first metal ion as mono-negative bi-dentate through azomethine nitrogen and enolic carbonyl after deprotonation. At the same time, it binds to the second metal ion via carboxylate oxygen after deprotonation. The thermodynamic parameters E∗, ΔH∗, ΔG∗ and ΔS∗ have been calculated by Coats-Redfern (CR) and Horowitz-Metzger (HM) methods. The optical band gaps of the isolated complexes have been calculated from absorption spectra and the results indicated semi-conducting nature of the investigated complexes. The interactions between the copper (II) complex and calf thymus DNA (CT-DNA) have been studied by UV spectra. The results confirm that the Cu(II) complex binds to CT-DNA.

  14. Structural, spectral and biological studies of binuclear tetradentate metal complexes of N 3O Schiff base ligand synthesized from 4,6-diacetylresorcinol and diethylenetriamine

    Science.gov (United States)

    Emara, Adel A. A.

    2010-09-01

    The binuclear Schiff base, H 2L, ligand was synthesized by reaction of 4,6-diacetylresorcinol with diethylenetriamine in the molar ratio 1:2. The coordination behavior of the H 2L towards Cu(II), Ni(II), Co(II), Zn(II), Fe(III), Cr(III), VO(IV) and UO 2(VI) ions has been investigated. The elemental analyses, magnetic moments, thermal studies and IR, electronic, 1H NMR, ESR and mass spectra were used to characterize the isolated ligand and its metal complexes. The ligand acts as dibasic with two N 3O-tetradentate sites and can coordinate with two metal ions to form binuclear complexes. The bonding sites are the nitrogen atoms of the azomethine and amine groups and the oxygen atoms of the phenolic groups. The metal complexes exhibit either square planar, tetrahedral, square pyramid or octahedral structures. The Schiff base ligand and its metal complexes were tested against four pathogenic bacteria ( Staphylococcus aureus and Streptococcus pyogenes) as Gram-positive bacteria, and ( Pseudomonas fluorescens and Pseudomonas phaseolicola) as Gram-negative bacteria and two pathogenic fungi ( Fusarium oxysporum and Aspergillus fumigatus) to assess their antimicrobial properties. Most of the complexes exhibit mild antibacterial and antifungal activities against these organisms.

  15. Spectral, optical and cytotoxicity studies on 2-isonicotinoyl-N-phenylhydrazine-1-carboxamide(H3L) and some of its metal complexes

    Science.gov (United States)

    Hosny, Nasser M.; Hassan, Nader Y.; Mahmoud, Heba M.; Abdel-Rhman, Mohamed H.

    2018-03-01

    The ligand 2-isonicotinoyl-N-phenylhydrazine-1-carboxamide (H3L) and its metal complexes with Co(II), Ni(II), Cu(II) and Zn(II) acetates have been synthesized. The isolated compounds have been characterized by elemental analyses, FT-IR, 1H NMR, 13C NMR, ESR, mass, electronic spectra, electrical conductivity, effective magnetic moments and thermal analyses. The free organic ligand exists in the keto form, but in the metal complexes, it coordinates in the enol form. Four coordinated species were suggested for all the isolated metal complexes. The measured optical band gap values confirmed the presence of direct electronic transition and the semi-conductivity of the compounds. The ligand and its Zn(II) complex were examined as cytotoxic agent against HCT-116 and HePG-2. The ligand showed very strong cytotoxic effect against HePG-2, but moderate cytotoxicity against HCT-116. Zn(II) complex showed weak cytotoxicity against the two cell lines.

  16. Synthesis and Spectral Investigations of Manganese(II, Cobalt(II, Nickel(II, Copper(II and Zinc(II Complexes of New Polydentate Ligands Containing a 1,8-Naphthyridine Moiety

    Directory of Open Access Journals (Sweden)

    Sunkari Jyothi

    2006-12-01

    Full Text Available 2-(o-Hydroxyphenyl-1,8-naphthyridine (HN, 2-(4-hydroxy-6-methylpyran-2-one-3-yl-1,8-naphthyridine (HMPN and 2-(benzimidazol-2-yl-1,8-naphthyridine(BN react with acetates of Mn(II, Co(II, Ni(II, Cu(II and Zn(II to yield metal ioncomplexes of definite composition. These compounds were characterized by elementalanalyses, molar conductivity, magnetic susceptibility measurements, thermal studies, IR,UV-visible, NMR and mass spectral investigations. The complexes are found to have theformulae [M(HN2(H2O2], [M(HMPN2(H2O2] and [M(BN2(OAc2], respectively.

  17. Metal ion complexes with HisGly: comparison with PhePhe and PheGly.

    Science.gov (United States)

    Dunbar, Robert C; Oomens, Jos; Berden, Giel; Lau, Justin Kai-Chi; Verkerk, Udo H; Hopkinson, Alan C; Siu, K W Michael

    2013-06-27

    Gas-phase complexes of five metal ions with the dipeptide HisGly have been characterized by DFT computations and by infrared multiple photon dissociation spectroscopy (IRMPD) using the free electron laser FELIX. Fine agreement is found in all five cases between the predicted IR spectral features of the lowest energy structures and the observed IRMPD spectra in the diagnostic region 1500-1800 cm(-1), and the agreement is largely satisfactory at longer wavelengths from 1000 to 1500 cm(-1). Weak-binding metal ions (K(+), Ba(2+), and Ca(2+)) predominantly adopt the charge-solvated (CS) mode of chelation involving both carbonyl oxygens, an imidazole nitrogen of the histidine side chain, and possibly the amino nitrogen. Complexes with Mg(2+) and Ni(2+) are found to adopt iminol (Im) binding, involving the deprotonated amide nitrogen, with tetradentate chelation. This tetradentate coordination of Ni(II) is the preferred binding mode in the gas phase, against the expectation under condensed-phase conditions that such binding would be sterically unfavorable and overshadowed by other outcomes such as metal ion hydration and formation of dimeric complexes. The HisGly results are compared with corresponding results for the PheAla, PheGly, and PhePhe ligands, and parallel behavior is seen for the dipeptides with N-terminal Phe versus His residues. An exception is the different chelation pattern determined for PhePhe versus HisGly, reflecting the intercalation-type cation binding pocket of the PhePhe ligand. The complexes group into three well-defined spectroscopic patterns: nickel and magnesium, calcium and barium, and potassium. Factors leading to differentiation of these distinct spectroscopic categories are (1) differing propensities for choosing the iminol binding pattern, and (2) single versus double charge on the metal center. Nickel and magnesium ions show similar gas-phase binding behavior, contrasting with their quite different patterns of peptide interaction in

  18. Synthesis, spectroscopic identification, thermal, potentiometric and antibacterial activity studies of 4-amino-5-mercapto-S-triazole Schiff's base complexes

    Science.gov (United States)

    Alaghaz, Abdel-Nasser M. A.; Zayed, Mohamed E.; Alharbi, Suliman A.; Ammar, Reda A. A.; Chinnathambi, Arunachalam

    2015-05-01

    Complexes of manganese(II), cobalt(II), nickel(II), copper(II) and zinc(II) of general composition [M(L)2] have been synthesized [L = 4-pyridin-2-yl-methylene amino-4H-1,2,4-triazole-3-thiol]. The elemental analyses, molar conductance, spectral (IR, UV-Vis, 1H NMR, mass), magnetic moment and thermal measurements studies of the compounds led to the conclusion that the ligand acts as a tridentate manner (SNN). The molar conductance of the metal complexes in fresh solution of DMSO lies in the range of 8.34-10.46 Ω-1 cm2 mol-1 indicating their non-electrolytic behavior. On the basis of analytical and spectroscopic techniques, octahedral geometry of the complexes was proposed. The Schiff base acts as tridentate ligand coordinated through deprotonated thiolic sulfur, azomethine nitrogen and pyridine nitrogen atoms. The ligand field parameters were calculated for Co(II), Ni(II) and Cu(II) complexes and their values were found in the range reported for a octahedral structure. The data show that the complexes have composition of ML2 type. The activation of thermodynamic parameters are calculated using Coast-Redfern, Horowitz-Metzger (HM), Piloyan-Novikova (PN) and Broido's equations. Protonation constants of Schiff base and stability constants of their binary metal complexes have been determined potentiometrically in 50% DMSO-water media at 25 °C and ionic strength 0.10 M potassium nitrate. Both the Schiff's base ligand and its complexes have been screened for antibacterial activities.

  19. Synthesis, spectral characterization, molecular modeling and antimicrobial activity of new potentially N2O2 Schiff base complexes

    Science.gov (United States)

    Adly, Omima M. I.; Taha, Ali; Fahmy, Shery A.

    2013-12-01

    Metal complexes of a new potentially tetradentate symmetrical Schiff base ligand (H2L) with Cu(II), Ni(II), Co(II), VO(IV), Zn(II), Cd(II), Ce(III), Fe(III) and UO2(VI) metal ions have been synthesized and characterized based on their elemental analyses, spectral (IR, UV-Vis, 1H NMR and mass spectra), magnetic and molar conductance studies as well as thermal gravimetric analysis (TGA). The synthesized complexes have the general formula [MHxL(H2O)yXn]: x = 0-1, y = 0-4 and n = 0-1; where: L = dianion of 6-hydroxy-5-[N-(2-{[(1E)-1-(6-hydroxy-2,4-dioxo-3,4-dihydro-2H-1,3-thiazin-5-yl)ethylidene]amino}ethyl) ethanimidoyl]-2H-1,3-thiazine-2,4(3H)-dione and X = nitrate or sulphate anion. The ligand behaves as diabasic tetradentate N2O2 sites, except in cases of Co(II), VO(IV) and UO2(VI) metal ions, it behaves as monobasic tetradentate Schiff base ligand. The metal complexes exhibited square planar, square-pyramidal and octahedral geometrical arrangements except for Ce(III) and UO2(VI) complexes, they are octa-coordinated. The Coats-Redfern equation was used to calculate the kinetic and thermodynamic parameters for the different thermal decomposition stages of some complexes. Structural parameters of the ligand and its metal complexes have been theoretically computed on the basis of semiemperical PM3 level, and the results were correlated with their experimental data. The antimicrobial activities of the ligand and its metal complexes were tested against some Gram-positive and Gram-negative bacteria; and fungus strain and the results were discussed.

  20. Nickel(II) complexes of pentadentate N5 ligands as catalysts for alkane hydroxylation by using m-CPBA as oxidant: a combined experimental and computational study.

    Science.gov (United States)

    Sankaralingam, Muniyandi; Balamurugan, Mani; Palaniandavar, Mallayan; Vadivelu, Prabha; Suresh, Cherumuttathu H

    2014-09-01

    A new family of nickel(II) complexes of the type [Ni(L)(CH(3)CN)](BPh(4))(2), where L=N-methyl-N,N',N'-tris(pyrid-2-ylmethyl)-ethylenediamine (L1, 1), N-benzyl-N,N',N'-tris(pyrid-2-yl-methyl)-ethylenediamine (L2, 2), N-methyl-N,N'-bis(pyrid-2-ylmethyl)-N'-(6-methyl-pyrid-2-yl-methyl)-ethylenediamine (L3, 3), N-methyl-N,N'-bis(pyrid-2-ylmethyl)-N'-(quinolin-2-ylmethyl)-ethylenediamine (L4, 4), and N-methyl-N,N'-bis(pyrid-2-ylmethyl)-N'-imidazole-2-ylmethyl)-ethylenediamine (L5, 5), has been isolated and characterized by means of elemental analysis, mass spectrometry, UV/Vis spectroscopy, and electrochemistry. The single-crystal X-ray structure of [Ni(L(3))(CH(3)CN)](BPh(4))(2) reveals that the nickel(II) center is located in a distorted octahedral coordination geometry constituted by all the five nitrogen atoms of the pentadentate ligand and an acetonitrile molecule. In a dichloromethane/acetonitrile solvent mixture, all the complexes show ligand field bands in the visible region characteristic of an octahedral coordination geometry. They exhibit a one-electron oxidation corresponding to the Ni(II) /Ni(III) redox couple the potential of which depends upon the ligand donor functionalities. The new complexes catalyze the oxidation of cyclohexane in the presence of m-CPBA as oxidant up to a turnover number of 530 with good alcohol selectivity (A/K, 7.1-10.6, A=alcohol, K=ketone). Upon replacing the pyridylmethyl arm in [Ni(L1)(CH(3)CN)](BPh(4))(2) by the strongly σ-bonding but weakly π-bonding imidazolylmethyl arm as in [Ni(L5)(CH(3)CN)](BPh(4))(2) or the sterically demanding 6-methylpyridylmethyl ([Ni(L3)(CH(3)CN)](BPh(4))(2) and the quinolylmethyl arms ([Ni(L4)(CH(3)CN)](BPh(4))(2), both the catalytic activity and the selectivity decrease. DFT studies performed on cyclohexane oxidation by complexes 1 and 5 demonstrate the two spin-state reactivity for the high-spin [(N5)Ni(II)-O(.)] intermediate (ts1(hs), ts2(doublet)), which has a low-spin state located closely in

  1. Characterization of Complexes Synthesized Using Schiff Base Ligands and Their Screening for Toxicity Two Fungal and One Bacterial Species on Rice Pathogens

    Directory of Open Access Journals (Sweden)

    T. Mangamamba

    2014-01-01

    Full Text Available Coordination complexes with metal ions Cu(II, Ni(II, Co(II, Fe(III, Mn(II, Cr(III, and VO(II with six ligands formed by condensation products using azides and aldehydes or ketones are characterized. Both the ligands and the complexes synthesized are characterized by C, H, N, Cl and metal analyses, IR, UV-Vis, TGA, and magnetic susceptibility for tentative structure proposal. Several of them are screened for their toxicity (i.e., physiological activity against fungal species Rhizoctonia solani and Acrocylindrium oryzae and a bacterium, Xanthomonas oryzae on rice pathogens. The study shows that the observed physiological activity is enhanced for the metal complexes as compared to the simple metal salts or ligands, except in the case of L3 or HAEP ligand, where the free –OH and –NH2 groups on the ligand seemed to have inhibited the activity. It is also observed that the order of activity has a dependence on the increased atomic weight of the metal ion in use. In some cases, especially the VO(II complexes, they are found to be better than the standards in use, both for the fungicides and for the bactericide.

  2. Ferro- to antiferromagnetic crossover angle in diphenoxido- and carboxylato-bridged trinuclear Ni(II)₂-Mn(II) complexes: experimental observations and theoretical rationalization.

    Science.gov (United States)

    Seth, Piya; Figuerola, Albert; Jover, Jesús; Ruiz, Eliseo; Ghosh, Ashutosh

    2014-09-02

    Three new trinuclear heterometallic Ni(II)-Mn(II) complexes have been synthesized using a [NiL] metalloligand, where H2L = N,N'-bis(salicylidene)-1,3-propanediamine. The complexes [(NiL)2Mn(OCnn)2(CH3OH)2]·CH3OH (1), [(NiL)2Mn(OPh)2(CH3OH)2][(NiL)2Mn(OPh)2]·H2O (2), and [(NiL)2Mn(OSal)2(CH3OH)2]·2[NiL] (3) (where OCnn = cinnamate, OPh = phenylacetate, OSal = salicylate) have been structurally characterized. In all three complexes, in addition to the double phenoxido bridge, the two terminal Ni(II) atoms are linked to the central Mn(II) by means of a syn-syn bridging carboxylate, giving rise to a linear structure. Complexes 1 and 2 with Ni-O-Mn angles of 97.24 and 96.43°, respectively, exhibit ferromagnetic interactions (J(Ni-Mn) = +1.38 and +0.50 cm(-1), respectively), whereas 3 is antiferromagnetic (J(Ni-Mn) = -0.24 cm(-1)), having an Ni-O-Mn angle of 98.51°. DFT calculations indicate that there is a clear magneto-structural correlation between the Ni-O-Mn angle and J(Ni-Mn) values, which is in agreement with the experimental results.

  3. Study of retention properties of fluoro-apatite carbonate relative to Ni(II), Am(III) and Th(IV); Etude des proprietes de retention des carbonate fluoroapatites vis-a-vis de Ni(II), Am(III) et Th(IV)

    Energy Technology Data Exchange (ETDEWEB)

    Perrone, Jane [Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)

    1999-07-12

    Apatite minerals and particularly the carbonated species (francolites), are characterized by their chemical and geological stability and also by their capacity to retain durably a large number of elements. Therefore, they should be able to improve the retention properties of the engineered barriers of a deep geological nuclear waste repository. But there is a wide variety of francolites, so we focused our study on a synthetic carbonate fluoro-apatite of formula: Ca{sub 10}(PO{sub 4}){sub 5}(CO{sub 3})(F,OH){sub 3} and on a natural apatite. We first studied their solubility which is an important criterion for the choice of the materials. A particular attention was also paid to the determination of their surface characteristics and to the study of the radionuclide/solution interactions. Sorption experiments have been performed for the three radionuclides and the influence of various parameters has been investigated. The modelling of the sorption isotherms with surface complexation models leads us to estimate the values of the constants associated to the equilibria under consideration. We have also demonstrated that the phosphate ions of the solution participate to the immobilization of americium as the AmPO{sub 4},xH{sub 2}O compound. Both apatites show high retention levels for the actinides: the sorption is quite total over all the pH range studied and the Kd values are close to 10{sup 4} m{sup 3} kg{sup -1}. Consequently, the use of apatites could be considered as a specific solution for the immobilisation of heavy elements, specially actinides. Moreover, the results indicate that high amounts of carbonates and impurities do not alter the retention properties of francolites. This bears out the feasibility of the use of natural apatites as additives for the engineered barrier materials. (author)

  4. Structure and morphology of spinel MFe2O4 (M=Fe, Co, Ni) nanoparticles chemically synthesized from heterometallic complexes.

    Science.gov (United States)

    Naidek, Karine Priscila; Bianconi, Flavia; da Rocha, Tulio Costa Rizuti; Zanchet, Daniela; Bonacin, Juliano Alves; Novak, Miguel Alexandre; Vaz, Maria das Graças Fialho; Winnischofer, Herbert

    2011-06-01

    We synthesized magnetic spinel ferrites from trimetallic single-source precursors. Fe(II), Co(II), and Ni(II) ferrite nanoparticles in the range of 9-25 nm were synthesized by solvothermal decomposition of trimetallic acetate complex precursors in benzyl ether in the presence of oleic acid and oleylamine, using 1,2-dodecanediol as the reducing agent. For comparison, spinel ferrite nanoparticles were synthesized by stoichiometric mixtures of metal acetate or acetylacetonate salts. The nanoparticles (NP) were characterized by TEM, DLS, powder XRD, and Raman spectroscopy; and their magnetic properties were characterized by ZFC-FC and M(H) measurements. The ferrite-NP were more homogeneous and had a narrower size distribution when trimetallic complexes were used as precursors. As a consequence, the magnetic properties of these ferrite-NP are closer to the aimed room temperature superparamagnetic behavior, than are those of other ferrites obtained by a mixture of salts. Copyright © 2011 Elsevier Inc. All rights reserved.

  5. Structure and spectroscopic studies of homo-and heterometallic complexes of adipic acid dihydrazide

    Science.gov (United States)

    Jeragh, Bakir; El-Asmy, Ahmed A.

    A single crystal of adipic acid dihydrazide, ADH, has been analyzed. Its reaction with Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Hg2+, Ag+, Pd2+ and/or Pt2+ gave homometallic and heterometallic complexes which are characterized by partial elemental analysis, spectra (MS, ESR, 1H NMR, electronic; IR), thermal analysis and magnetic measurements. Some complexes: Zn0.73Cu(ADH)Cl4·H2O; Zn0.71Hg0.36(ADH)Cl4·H2O; Zn0.65Cd0.46(ADH)Cl4·½H2O; Zn0.75Co0.41(ADH-2H)Cl2·3H2O; Cd0.85Co0.43(ADH)Cl4·½EtOH were isolated having nonstiochiometric metal ratios. The ligand behaves as a neutral (bidentate or tetradentate) and/or binegative tetradentate. A square-pyramid, square-planar and tetrahedral structures were proposed for the homo Co(II), Cu(II) and Ni(II) complexes, respectively. A similar and different stereochemistry around each metal ion (tetrahedral + tetrahedral; tetrahedral + square-planar; tetrahedral + tetrahedral and/or tetrahedral + octahedral) was suggested for the heterometallic complexes. Some complexes were found highly stable with stability point >240 °C; the most stable is [HgNi(ADH-2H)Cl2]. The presence of diamagnetic atom (Zn, Cd or Hg) reduces the magnetic moments and gave anomalous moments. The degradation steps and the hydrated complexes are confirmed through the TGA study. The order of covalency of [Zn0.73Cu(ADH)Cl4]·H2O, [CdCu(ADH)Cl4]·H2O and [HgCu(ADH-2H)Cl2] matches with the size of the second metal (Zn complex > Cd complex > Hg complex). Some heterometallic complexes were found nonstoichiometric through the analysis of their metal content and supported by TGA.

  6. [Study on UV-Vis absorption spectra and fluorescence emission spectra of sixteen tetra-substituted metallophthalocyanine complexes].

    Science.gov (United States)

    Huang, Zi-yang; Huang, Jian-dong; Chen, Nai-sheng; Huang, Jin-ling

    2009-05-01

    The UV-Visible absorption spectra and the fluorescence emission spectra of sixteen tetra-substituted metallo-phthalocyanine complexes {R4 PcM, where R = 2-[4-(2-sulfonic ethyl) piperazin-1-] ethoxyl (SPEO--), 2-(piperidin-1-yl) ethoxyl (PEO--); substitution position at alpha-position and beta-position of phthalocyanine ring; M = Zn(II), Ni(II), Co(II) and Cu(II)} were measured. The influence of different central ion, substituted group and its position, as well as different solvent on the Q-band of phthalocyanine complex in its UV-Vis absorption spectra was investigated. The influence of different central ion, substituted group and its position on the fluorescence emission spectra was discussed. Some properties of the UV-Vis absorption spectra such as the maximum absorption wavelength (lamdamax ) of Q-band and its molar extinction coefficient (epsilon), and those of the fluorescence emission spectra such as fluorescence quantum yield (phiF), fluorescence lifetime (r) and excited state energy (Es) were studied. The results showed that the lamdamax of Qband of all complexes were located at 681-718 nm, which had a distinct red shift in contrast with unsubstituted metallophthalocyanines (669-671 nm). All complexes of R4 PcM possessed a very high molar extinction coefficient up to 10(5) L x mol(-1) x cm(-1). And the UV-Vis absorption spectra and the fluorescence emission spectra of all complexes exhibited mirror shape concurrently. Two beta-substituted zinc phthalocyanine complexes with formula beta-(SPEO)4PcZn and beta-(PEO)4PcZn possessed very high molar extinction coefficient, fluorescence quantum yield and fluorescence lifetime specially. Therefore, it is hoped that these two would be developing to be new photosensitizers for photodynamic therapy (PDT)and photodynamic diagnosis (PDD).

  7. Weak interactions modulating the dimensionality in supramolecular architectures in three new nickel(II)-hydrazone complexes, magnetostructural correlation, and catalytic potential for epoxidation of alkenes under phase transfer conditions.

    Science.gov (United States)

    Sadhukhan, Dipali; Ray, Aurkie; Pilet, Guillaume; Rizzoli, Corrado; Rosair, Georgina M; Gómez-García, Carlos J; Signorella, Sandra; Bellú, Sebastián; Mitra, Samiran

    2011-09-05

    Three different ONO donor acetyl hydrazone Schiff bases have been synthesized from the condensation of acetic hydrazide with three different carbonyl compounds: salicylaldehyde (HL(1)), 2-hydroxyacetophenone (HL(2)), and 2, 3-dihydroxybenzaldehyde (HL(3)). These tridentate ligands are reacted with Ni(OOCCF(3))(2)·xH(2)O to yield three new Ni(II) complexes having distorted octahedral geometry at each Ni center: [Ni(L(1))(OOCCF(3))(CH(3)OH)](2) (1), [Ni(L(2))(OOCCF(3))(H(2)O)](2) (2), and [Ni(L(3))(L(3)H)](OOCCF(3))(H(2)O)(1.65)(CH(3)OH)(0.35) (3). The ligands and the complexes have been characterized by elemental analysis and IR and UV-vis spectroscopy, and the structures of the complexes have been established by single crystal X-ray diffraction (XRD) study. 1 and 2 are centrosymmetric dinuclear complexes and are structural isomers whereas 3 is a bis chelated cationic monomer coordinated by one neutral and one monoanionic ligand. O-H···O hydrogen bonds in 3 lead to the formation of a dimer. Slight steric and electronic modifications in the ligand backbone provoke differences in the supramolecular architectures of the complexes, leading to a variety of one, two, and three-dimensional hydrogen bonded networks in complexes 1-3 respectively. Variable temperature magnetic susceptibility measurements reveal that moderate antiferromagnetic interactions operate between phenoxo bridged Ni(II) dimers in 1 and 2 whereas very weak antiferromagnetic exchange occurs through hydrogen bonding and π-π stacking interactions in 3. All complexes are proved to be efficient catalysts for the epoxidation of alkenes by NaOCl under phase transfer condition. The efficiency of alkene epoxidation is dramatically enhanced by lowering the pH, and the reactions are supposed to involve high valent Ni(III)-OCl or Ni(III)-O· intermediates. 3 is the best epoxidation catalyst among the three complexes with 99% conversion and very high turnover number (TON, 396).

  8. Complex analysis and geometry

    CERN Document Server

    Silva, Alessandro

    1993-01-01

    The papers in this wide-ranging collection report on the results of investigations from a number of linked disciplines, including complex algebraic geometry, complex analytic geometry of manifolds and spaces, and complex differential geometry.

  9. Complex Systems: An Introduction

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 9. Complex Systems: An Introduction - Anthropic Principle, Terrestrial Complexity, Complex Materials. V K Wadhawan. General Article Volume 14 Issue 9 September 2009 pp 894-906 ...

  10. Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WVHeterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.

    Science.gov (United States)

    Vieru, Veacheslav; Pasatoiu, Traian D; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F

    2016-12-05

    The polynuclear compounds containing anisotropic metal ions often exhibit efficient barriers for blocking of magnetization at fairly arbitrary geometries. However, at variance with mononuclear complexes, which usually become single-molecule magnets (SMM) under the sole requirement of a highly axial crystal field at the metal ion, the factors influencing the SMM behavior in polynuclear complexes, especially, with weakly axial magnetic ions, still remain largely unrevealed. As an attempt to clarify these conditions, we present here the synthesis, crystal structures, magnetic behavior, and ab initio calculations for a new series of Ni II -Ln III -W V trimetallics, [(CN) 7 W(CN)Ni(H 2 O)(valpn)Ln(H 2 O) 4 ]·H 2 O (Ln = Y 1, Eu 2, Gd 3, Tb 4, Dy 5, Lu 6). The surprising finding is the absence of the magnetic blockage even for compounds involving strongly anisotropic Dy III and Tb III metal ions. This is well explained by ab initio calculations showing relatively large transversal components of the g-tensor in the ground exchange Kramers doublets of 1 and 4 and large intrinsic tunneling gaps in the ground exchange doublets of 3 and 5. In order to get more insight into this behavior, another series of earlier reported compounds with the same trinuclear [W V Ni II Ln III ] core structure, [(CN) 7 W(CN)Ni(dmf)(valdmpn)Ln(dmf) 4 ]·H 2 O (Ln = Gd III 7, Tb III 8a, Dy III 9, Ho III 10), [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Tb(dmf) 2.5 (H 2 O) 1.5 ]·H 2 O·0.5dmf 8b, and [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Er(dmf) 3 (H 2 O) 1 ]·H 2 O·0.5dmf 11, has been also investigated theoretically. In this series, only 8b exhibits SMM behavior which is confirmed by the present ab initio calculations. An important feature for the entire series is the strong ferromagnetic coupling between Ni(II) and W(V), which is due to an almost perfect trigonal dodecahedron geometry of the octacyano wolframate fragment. The reason why only 8b is an SMM is explained by positive zero-field splitting on the nickel

  11. Photochemical Stability and Photostabilizing Efficiency of Poly(methyl methacrylate Based on 2-(6-Methoxynaphthalen-2-ylpropanoate Metal Ion Complexes

    Directory of Open Access Journals (Sweden)

    Emad Yousif

    2015-06-01

    Full Text Available The photostabilization of poly(methyl methacrylate (PMMA films having 2-(6-methoxynaphthalen-2-ylpropanoate and Sn(II, Ni(II, Zn(II and Cu(II complexes was investigated. The production of PMMA films containing such complexes (0.5% by weight was carried out by the casting method using chloroform. The photostabilization activities of the compounds were determined by monitoring the hydroxyl index with irradiation time. The quantum yield of the chain scission (Φcs for the complexes in PMMA films and the changes in the viscosity average molecular weight of PMMA with irradiation time were evaluated. The rate of photostabilization for PMMA in the presence of the additives was found to follow the order NiL2 > CuL2 > ZnL2 > SnL2 (L, ligand. Depending on the structure of the additive, such as a peroxide decomposer, UV absorption or a radical scavenger for the photostabilizer, several mechanisms are suggested.

  12. Synthesis, Structure, and Reactivity ofbis(1,2,4-tri-t-butylcyclopentadienyl) Complexes of Cerium

    Energy Technology Data Exchange (ETDEWEB)

    Werkema, Evan L. [Univ. of California, Berkeley, CA (United States)

    2005-05-19

    fluorobenzenes, permittingthe synthesis of specific Cp'2CeC6HxF5-x complexes. The crystal structureof Cp'2CeC6F5 is presented. The hydride and the metallacycle react withfluoromethanes, CH4-xFx, x = 1-3, through postulated Cp'2CeCH3-xFx intermediates to generate Cp'2CeF and other products. The other products,CH4, tri-t-butylbenzenes, tri-t-butylfluorobenzenes, and a presumedmetallocene cerium fluoride with one Cp' and one (Me2EtC)(Me3C)2C5H2 ligand, suggest a decomposition pathway for Cp'2CeCH3-xFx , x = 1-3, thatinvolves carbenes or carbenoids, which are trapped. The hydridepolymerizes ethylene, but hydrogenates other olefins. The metallacycleactivates C-H bonds in olefins and aromatics to generate new complexeswith Ce-C bonds. The hydride reacts with one equivalent of CO in pentaneto generate (Cp'2Ce)2CH2O, whose crystal structure shows the presence ofa bridging dianionic formaldehyde ligand. (Cp'2Ce)2CH2O reacts H2 to givethe hydride and Cp'2CeOMe, or with a mixture of H2 and CO to generate Cp'2CeOMe exclusively. (Cp'2Ce)2CH2O or the hydride can react with anadditional equivalent of CO to generate dimeric enediolate,(Cp'2CeCHO)2.

  13. Novel transition metal complexes of 4-hydroxy-coumarin-3-thiocarbohydrazone: Pharmacodynamic of Co(III) on rats and antimicrobial activity

    Science.gov (United States)

    Mosa, A. I.; Emara, Adel A. A.; Yousef, J. M.; Saddiq, A. A.

    2011-10-01

    A new series of stable transition metal complexes of the formula M(L)X·S, where M = Cu(II), Ni(II), Co(III), Cr(III) and Fe(III) and L is the deprotonated ligand of 4-hydroxy-coumarin-3-thiocarbohydrazone, X = Cl -, NO 3- or CH 3COO - and S = H 2O and/or EtOH. The HL ligand was prepared by the reaction of 3-formyl-4-hydroxy-coumarine with thiocarbohydrazide in the molar ratio 1:1. The HL ligand and its metal complexes were characterized by elemental analysis, 1H NMR, IR and electronic spectra, and molar conductance and magnetic measurements and thermal gravimetric analysis (TGA). The HL ligand acts as a monobasic tridentate ONS donor in all metal complexes, and coordinated through the phenolic OH, azomethine nitrogen and thione sulfur. Electronic spectra with magnetic moments suggested varieties of geometries around the central metal atoms. Thermal gravimetric analysis indicates that the complexes are stable up to 300 °C, and release the uncoordinated and/or coordinated H 2O/solvent molecules, which is accompanied by a color change. The formed complexes after releasing the solvent were investigated and their structures are suggested to have square planar or octahedral arrangement. Pharmacodynamic of cobalt(III) complex on some biochemical parameters and histological studies in serum and heart tissue in rats have been studied. Although the complexes demonstrated a significant effect at low dose than the high dose, the ligand showed significant good effects in both high and low doses on the biochemical analysis in serum and heart tissue. Cobalt complex was screened in order to evaluate its antifungal activity against the filamentous fungi Aspergillus niger, Aspergillus fumigatus, and Aspergillus flavus, and antibacterial activity against the Candida albicans, Escherichia coli, Klebseilla pneumoniae and Pseudomonas aeruginosa.

  14. One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone and some of its transition metal complexes in aqueous solution and in aqueous isopropanol-acetone-mixed solvent: a steady-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, S.; Bhattacharya, A.; Mandal, P.C.; Rath, M.C.; Mukherjee, T.

    2002-01-01

    One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone (DHA) and its complexes with Cu(II), Ni(II) and Fe(III), by acetone ketyl radical, (CH 3 ) 2 C·OH, was carried out in aqueous solution and in aqueous isopropanol acetone mixed solvent using both steady-state gamma radiolysis and pulse radiolysis techniques. The rate constants for the reduction of DHA at different pH values by the ketyl radical are in the order of ∼10 9 dm 3 mol -1 s -1 , whereas those for the metal complexes are comparatively less. These rate constants are, however, in conformity with the one-electron reduction potentials of the ligand in free DHA and in its metal complexes. Decay kinetics of the one-electron reduced semiquinones of the free ligand and its metal complexes suggest disproportionation of the semiquinone in the case of the free ligand and intermolecular electron transfer from the co-ordinated semiquinone radical to the metal centre in the case of the metal complexes

  15. The Mitochondrial Complex(Ity of Cancer

    Directory of Open Access Journals (Sweden)

    Félix A. Urra

    2017-06-01

    Full Text Available Recent evidence highlights that the cancer cell energy requirements vary greatly from normal cells and that cancer cells exhibit different metabolic phenotypes with variable participation of both glycolysis and oxidative phosphorylation. NADH–ubiquinone oxidoreductase (Complex I is the largest complex of the mitochondrial electron transport chain and contributes about 40% of the proton motive force required for mitochondrial ATP synthesis. In addition, Complex I plays an essential role in biosynthesis and redox control during proliferation, resistance to cell death, and metastasis of cancer cells. Although knowledge about the structure and assembly of Complex I is increasing, information about the role of Complex I subunits in tumorigenesis is scarce and contradictory. Several small molecule inhibitors of Complex I have been described as selective anticancer agents; however, pharmacologic and genetic interventions on Complex I have also shown pro-tumorigenic actions, involving different cellular signaling. Here, we discuss the role of Complex I in tumorigenesis, focusing on the specific participation of Complex I subunits in proliferation and metastasis of cancer cells.

  16. Physiochemical characterization and antimicrobial evaluation of phenylthiourea-formaldehyde polymer (PTF) based polymeric ligand and its polymer metal complexes

    Science.gov (United States)

    Ahamad, Tansir; Alshehri, Saad M.

    2013-05-01

    Phenylthiourea-formaldehyde polymer (PTF) has been synthesized via polycondensation of phenylthiourea and formaldehyde in basic medium and its corresponding metal complexes [PTF-M(II)] were prepared with Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) ions. The synthesized polymers have been characterized by elemental analysis, magnetic susceptibility, UV-visible, FT-IR, 1H NMR, 13C NMR, ESR spectroscopy and thermogravimetric analysis (TGA). Elemental analysis, electronic spectra and magnetic moment measurement indicate that PTF-Mn(II), PTF-Co(II) and PTF-Ni(II) show octahedral geometry, while PTF-Cu(II) and PTF-Zn(II) show square planar and tetrahedral geometry, respectively. The results of TGA ascribed that all the PTF-M(II) showed better heat-resistance properties than PTF resin. In vitro antimicrobial activities were performed against several bacteria and fungi using agar well diffusion method. The results of microbial activity were compared with Kanamycin and Miconazole as standard antibiotics for antibacterial and antifungal activities respectively.

  17. Synthesis, structure and catalytic activities of nickel(II) complexes bearing N4 tetradentate Schiff base ligand

    Science.gov (United States)

    Sarkar, Saikat; Nag, Sanat Kumar; Chattopadhyay, Asoke Prasun; Dey, Kamalendu; Islam, Sk. Manirul; Sarkar, Avijit; Sarkar, Sougata

    2018-05-01

    Two new nickel(II) complexes [Ni(L)Cl2] (1) and [Ni(L)(NCS)2] (2) of a neutral tetradentate mono-condensed Schiff base ligand, 3-(2-(2-aminoethylamino)ethylimino)butan-2-one oxime (L) have been synthesized and characterized using different physicochemical techniques e.g. elemental analyses, spectroscopic (IR, Electronic, NMR) methods, conductivity and molecular measurements. The crystal structure of complex (2) has been determined by using single crystal X-ray diffraction method and it suggests a distorted octahedral geometry around nickel(II) having a NiN6 coordinating atmosphere. The non-coordinated Osbnd H group on the ligand L remain engaged in H-bonding interactions with the S end of the coordinated thiocyanate moiety. These H-bonding interactions lead to Osbnd S separations of 3.132 Å and play prominent role in crystal packing. It is observed that the mononuclear units are glued together with such Osbnd H…S interactions and finally results in an 1D supramolecular sheet-like arrangement. DFT/TDDFT based theoretical calculations were also performed on the ligand and the complexes aiming at the accomplishment of idea regarding their optimized geometry, electronic transitions and the molecular energy levels. Finally the catalytic behavior of the complexes for oxidation of styrene has also been carried out. A variety of reaction conditions like the effect of solvent, effect of temperature and time as well as the effect of ratio of substrate to oxidant were thoroughly studied to judge the catalytic efficiency of the Ni(II) coordination entity.

  18. Mononuclear late first row transition metal complexes of ONO donor hydrazone ligand: Synthesis, characterization, crystallographic insight, in vivo and in vitro anti-inflammatory activity

    Science.gov (United States)

    Kendur, Umashri; Chimmalagi, Geeta H.; Patil, Sunil M.; Gudasi, Kalagouda B.; Frampton, Christopher S.; Mangannavar, Chandrashekhar V.; Muchchandi, Iranna S.

    2018-02-01

    Air and moisture stable coordination compounds of late first row transition metal ions, viz., Co(II), Ni(II), Cu(II) and Zn(II) with a newly designed ligand, (E)-2-amino-N'-(1-(2-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)ethylidene)benzohydrazide (H2L) were prepared and extensively characterized using various spectro-analytical techniques. The ligand acts both in mono as well as doubly deprotonated manner. The ligand to metal stoichiometry was found to be 1:2 in case of complexes using chloride salts, whereas 1:1 in case of copper (II) complex using its acetate salt. The molecular structures of H2L, nickel and copper complexes were unambiguously determined by single-crystal X-ray diffraction studies reveal that H2L exists in a zwitterionic form while copper complex has copper centre in a distorted square planar environment. On the other hand, cobalt, nickel and zinc complexes display distorted octahedral coordination around the metal ion. In case of [Ni(HL)2].H2O, intramolecular Csbnd H⋯π stacking interaction were observed between the centroid of five membered chelate ring and phenyl proton C5sbnd H5 and intermolecular Csbnd H⋯π stacking interaction between the centroid of phenyl ring, dehydroacetic acid (DHA) ring and phenyl protons. The [Cu(L)DMF] complex is stabilized by intramolecular hydrogen bonding N1H⋯N2 and by intermolecular hydrogen bonding N1H⋯O4. Intermolecular interactions were investigated by Hirshfeld surfaces. Further, H2L and its metal complexes were screened for their in vivo and in vitro anti-inflammatory activities. The activity of the ligand has enhanced on coordination with transition metals. The tested compounds have shown excellent activity, which is almost equipotent to the standard used in the study.

  19. Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.

    Science.gov (United States)

    Machonkin, Timothy E; Boshart, Monica D; Schofield, Jeremy A; Rodriguez, Meghan M; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W; Holland, Patrick L

    2014-09-15

    Metal complexes incorporating the tris(3,5-diphenylpyrazolyl)borate ligand (Tp(Ph2)) and ortho-dihalophenolates were synthesized and characterized in order to explore metal-halogen secondary bonding in biorelevant model complexes. The complexes Tp(Ph2)ML were synthesized and structurally characterized, where M was Fe(II), Co(II), or Ni(II) and L was either 2,6-dichloro- or 2,6-dibromophenolate. All six complexes exhibited metal-halogen secondary bonds in the solid state, with distances ranging from 2.56 Å for the Tp(Ph2)Ni(2,6-dichlorophenolate) complex to 2.88 Å for the Tp(Ph2)Fe(2,6-dibromophenolate) complex. Variable temperature NMR spectra of the Tp(Ph2)Co(2,6-dichlorophenolate) and Tp(Ph2)Ni(2,6-dichlorophenolate) complexes showed that rotation of the phenolate, which requires loss of the secondary bond, has an activation barrier of ~30 and ~37 kJ/mol, respectively. Density functional theory calculations support the presence of a barrier for disruption of the metal-halogen interaction during rotation of the phenolate. On the other hand, calculations using the spectroscopically calibrated angular overlap method suggest essentially no contribution of the halogen to the ligand-field splitting. Overall, these results provide the first quantitative measure of the strength of a metal-halogen secondary bond and demonstrate that it is a weak noncovalent interaction comparable in strength to a hydrogen bond. These results provide insight into the origin of the specificity of the enzyme 2,6-dichlorohydroquinone 1,2-dioxygenase (PcpA), which is specific for ortho-dihalohydroquinone substrates and phenol inhibitors.

  20. Complex differential geometry

    CERN Document Server

    Zheng, Fangyang

    2002-01-01

    The theory of complex manifolds overlaps with several branches of mathematics, including differential geometry, algebraic geometry, several complex variables, global analysis, topology, algebraic number theory, and mathematical physics. Complex manifolds provide a rich class of geometric objects, for example the (common) zero locus of any generic set of complex polynomials is always a complex manifold. Yet complex manifolds behave differently than generic smooth manifolds; they are more coherent and fragile. The rich yet restrictive character of complex manifolds makes them a special and interesting object of study. This book is a self-contained graduate textbook that discusses the differential geometric aspects of complex manifolds. The first part contains standard materials from general topology, differentiable manifolds, and basic Riemannian geometry. The second part discusses complex manifolds and analytic varieties, sheaves and holomorphic vector bundles, and gives a brief account of the surface classifi...

  1. Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.

    Science.gov (United States)

    Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk

    2016-06-20

    The 2-pyridylmethyl N-pendant-armed heptadentate macrocyclic ligand {3,12-bis(2-methylpyridine)-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca-1,14,16-triene = L} and [M(L)](ClO4)2 complexes, where M = Mn(II) (1), Fe(II) (2), Co(II) (3), Ni(II) (4), and Cu(II) (5), were prepared and thoroughly characterized, including elucidation of X-ray structures of all the compounds studied. The complexes 1-5 crystallize in non-centrosymmetric Sohncke space groups as racemic compounds. The coordination numbers of 7, 6 + 1, and 5 were found in complexes 1-3, 4, and 5, respectively, with a distorted pentagonal bipyramidal (1-4) or square pyramidal (5) geometry. On the basis of the magnetic susceptibility experiments, a large axial zero-field splitting (ZFS) was found for 2, 3, and 4 (D(Fe) = -7.4(2) cm(-1), D(Co) = 34(1) cm(-1), and D(Ni) = -12.8(1) cm(-1), respectively) together with a rhombic ZFS (E/D = 0.136(3)) for 4. Despite the easy plane anisotropy (D > 0, E/D = 0) in 3, the slow relaxation of the magnetization below 8 K was observed and analyzed either with Orbach relaxation mechanism (the relaxation time τ0 = 9.90 × 10(-10) s and spin reversal barrier Ueff = 24.3 K (16.9 cm(-1))) or with Raman relaxation mechanism (C = 2.12 × 10(-5) and n = 2.84). Therefore, compound 3 enlarges the small family of field-induced single-molecule magnets with pentagonal-bipyramidal chromophore. The cyclic voltammetry in acetonitrile revealed reversible redox processes in 1-3 and 5, except for the Ni(II) complex 4, where a quasi-reversible process was dominantly observed. Presence of the two 2-pyridylmethyl pendant arms in L with a stronger σ-donor/π-acceptor ability had a great impact on the properties of all the complexes (1-5), concretely: (i) strong pyridine-metal bonds provided slight axial compression of the coordination sphere, (ii) substantial changes in magnetic anisotropy, and (iii) stabilization of lower oxidation states.

  2. Synthesis and coordination behavior of a bipyridine platinum(II) complex with thioglucose.

    Science.gov (United States)

    Tsuji, Takaaki; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi

    2013-05-06

    A mononuclear platinum(II) complex with two monodentate-S H4tg(-) ligands, [Pt(H4tg-κS)2(bpy)] (1), was newly synthesized by the reaction of [PtCl2(bpy)] (bpy = 2,2'-bipyridyl) with NaH4tg (NaH4tg =1-thio-β-d-glucose sodium salt) in water. Complex 1 reacted with additional [PtCl2(bpy)] in water to give an S-bridged dinuclear complex, [Pt2(μ2-H4tg-κ(1)S:κ(1)S)2(bpy)2](2+) ([2](2+)), in which a square-planar [Pt(H4tg)2(bpy)] unit binds to a [Pt(bpy)](2+) moiety through two thiolato groups. Treatments of 1 with Cu(2+) and Ni(2+) in water in the presence of bpy produced S-bridged dinuclear complexes [PtCu(μ2-H4tg-κ(1)S:κ(2)O,S)2(bpy)2](2+) ([3](2+)) and [PtNi(μ2-H4tg-κ(1)S:κ(2)O,S)2(bpy)2](2+) ([4](2+)), respectively, in which a square-planar [Pt(H4tg)2(bpy)] unit binds to a [M(bpy)](2+) (M = Cu(II), Ni(II)) moiety through two thiolato and two hydroxyl groups to form a chiral [M(N)2(O)2(S)2] octahedron with the Δ configuration. On the other hand, similar treatment with Cd(2+) in the presence of bpy resulted in the formation of an S-bridged trinuclear complex, [Cd{Pt(μ2-H4tg-κ(1)S:κ(2)O,S)(μ2-H4tg-κ(1)S:κ(1)S)(bpy)}2](2+) ([5](2+)), in which each of two square-planar [Pt(H4tg)2(bpy)] units binds to a Cd(II) ion through two thiolato groups and one hydroxyl group to form a chiral [Cd(O)2(S)4] octahedron with the Λ configuration. Of two geometrical configurations, syn and anti, which arise from the relative arrangement of two β-D-pyranose moieties, [2](2+) adopts the syn configuration with symmetric bridging sulfur atoms, while [3](2+), [4](2+), and [5](2+) all have the anti configuration with R configurational bridging sulfur atoms. All of the complexes were fully characterized by electronic absorption, CD, and NMR spectroscopies, along with single-crystal X-ray crystallography.

  3. Radioisotope trithiol complexes

    Science.gov (United States)

    Jurisson, Silvia S.; Cutler, Cathy S.; Degraffenreid, Anthony J.

    2016-08-30

    The present invention is directed to a series of stable radioisotope trithiol complexes that provide a simplified route for the direct complexation of radioisotopes present in low concentrations. In certain embodiments, the complex contains a linking domain configured to conjugate the radioisotope trithiol complex to a targeting vector. The invention is also directed to a novel method of linking the radioisotope to a trithiol compound to form the radioisotope trithiol complex. The inventive radioisotope trithiol complexes may be utilized for a variety of applications, including diagnostics and/or treatment in nuclear medicine.

  4. Complex and symplectic geometry

    CERN Document Server

    Medori, Costantino; Tomassini, Adriano

    2017-01-01

    This book arises from the INdAM Meeting "Complex and Symplectic Geometry", which was held in Cortona in June 2016. Several leading specialists, including young researchers, in the field of complex and symplectic geometry, present the state of the art of their research on topics such as the cohomology of complex manifolds; analytic techniques in Kähler and non-Kähler geometry; almost-complex and symplectic structures; special structures on complex manifolds; and deformations of complex objects. The work is intended for researchers in these areas.

  5. Mesoporous silica nanoparticles supported copper(II) and nickel(II) Schiff base complexes: Synthesis, characterization, antibacterial activity and enzyme immobilization

    Science.gov (United States)

    Tahmasbi, Leila; Sedaghat, Tahereh; Motamedi, Hossein; Kooti, Mohammad

    2018-02-01

    Mesoporous silica nanoparticles (MSNs) were prepared by sol-gel method and functionalized with 3-aminopropyltriethoxysilane. Schiff base grafted mesoporous silica nanoparticle was synthesized by the condensation of 2-hydroxy-3-methoxybenzaldehyde and amine-functionalized MSNs. The latter material was then treated with Cu(II) and Ni(II) salts separately to obtain copper and nickel complexes anchored mesoporous composites. The newly prepared hybrid organic-inorganic nanocomposites have been characterized by several techniques such as FT-IR, LA-XRD, FE-SEM, TEM, EDS, BET and TGA. The results showed all samples have MCM-41 type ordered mesoporous structure and functionalization occurs mainly inside the mesopore channel. The presence of all elements in synthesized nanocomposites and the coordination of Schiff base via imine nitrogen and phenolate oxygen were confirmed. MSNs and all functionalized MSNs have uniform spherical nanoparticles with a mean diameter less than 100 nm. The as-synthesized mesoporous nanocomposites were investigated for antibacterial activity against Gram-positive (B. subtilis and S. aureus) and Gram-negative (E. coli and P. aeruginosa) bacteria, as carrier for gentamicin and also for immobilization of DNase, coagulase and amylase enzymes. MSN-SB-Ni indicated bacteriocidal effect against S.aureus and all compounds were found to be good carrier for gentamicin. Results of enzyme immobilization for DNase and coagulase and α-amylase revealed that supported metal complexes efficiently immobilized enzymes.

  6. A DFT Study of Some Structural and Spectral Properties of 4-Methoxyacetophenone Thiosemicarbazone and Its Complexes with Some Transition Metal Chlorides: Potent Antimicrobial Agents

    Directory of Open Access Journals (Sweden)

    Julius Numbonui Ghogomu

    2016-01-01

    Full Text Available Recent studies have shown that 4-methoxyacetophenone thiosemicarbazone (MAPTSC and its complexes with some transition metal chlorides are potent antimicrobial agents. To deepen the understanding of their structure-activity relationships necessary for rational drug design, their structural and spectral properties, along with thione-thiol tautomerism of MAPTSC, have been studied herein using the density functional theory (DFT. From our results, the thione tautomer of MAPTSC is more stable than the thiol counterpart in ethanolic solution, and thione-to-thiol tautomerization is highly precluded at ambient temperature (25°C by a high barrier height ≈46.41 kcal/mol. MAPTSC can therefore exist as a mixture of the thione (major and thiol (minor tautomers in ethanolic solution at room and higher temperatures. Conformational analysis has revealed five possible conformers of the thione tautomer, of which two are stable enough to be isolated at 25°C. Based on our computed values of MAPTSC-metal(II binding energies, enthalpies, and Gibbs free energies, the thione tautomer of MAPTSC exhibits a higher affinity for the d8 metal ions Ni(II, Pd(II, and Pt(II and can therefore efficiently chelate them in chemical and biological systems. Natural population analysis has revealed ligand-metal charge transfer in the MAPTSC complexes studied. A good agreement has been found between calculated and experimentally observed spectral properties (IR, UV-Vis, and NMR.

  7. Synthesis, characterization and anti-microbial activity of phenylurea-formaldehyde resin (PUF) and its polymer metal complexes (PUF-Mn(II)

    Science.gov (United States)

    Ahamad, Tansir; Alshehri, Saad M.

    2012-10-01

    Phenylurea-formaldehyde polymer (PUF) was synthesized via polycondensation of phenylurea and formaldehyde in basic medium, its polymer-metal complexes [PUF-M(II)] were prepared with Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) ions. PUF and PUF-M(II) were characterized with magnetic moment measurements, elemental and spectral (UV-visible, FTIR, 1H-NMR, 13C-NMR and ESR) analysis. The thermal behaviors of all the synthesized polymers were carried out using thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The thermal data revealed that all of the PUF-M(II) showed higher thermal stabilities than the PUF and also ascribed that the PUF-Cu(II) showed better thermal stability than the other PUF-M(II). The kinetic parameters such as activation energy, pre-exponential factor etc., were evaluated for these polymer metal complexes using Coats-Redfern equation. In addition, the antimicrobial activity of the synthesized polymers was tested against several microorganisms using agar well diffusion methods. Among all of the PUF-M(II), the antimicrobial activity of the PUF-Cu(II) showed the highest zone of inhibition because of its higher stability constant and may be used in biomedical applications.

  8. Synthesis, spectroscopic and thermal characterization of sulpiride complexes of iron, manganese, copper, cobalt, nickel, and zinc salts. Antibacterial and antifungal activity

    Science.gov (United States)

    Mohamed, Gehad G.; Soliman, Madiha H.

    2010-08-01

    Sulpiride (SPR; L) is a substituted benzamide antipsychotic which is reported to be a selective antagonist of central dopamine receptors and claimed to have mood-elevating properties. The ligation behaviour of SPR drug is studied in order to give an idea about its potentiality towards some transition metals in vitro systems. Metal complexes of SPR have been synthesized by reaction with different metal chlorides. The metal complexes of SPR with the formula [MCl 2(L) 2(H 2O) 2]· nH 2O [M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); n = 0-2] and [FeCl 2(HL)(H 2O) 3]Cl·H 2O have been synthesized and characterized using elemental analysis (CHN), electronic (infrared, solid reflectance and 1H NMR spectra) and thermal analyses (TG and DTA). The molar conductance data reveal that the bivalent metal chelates are non-electrolytes while Fe(III) complex is 1:1 electrolyte. IR spectra show that SPR is coordinated to the metal ions in a neutral monodentate manner with the amide O. From the magnetic and solid reflectance spectra, octahedral geometry is suggested. The thermal decomposition processes of these complexes were discussed. The correlation coefficient, the activation energies, E*, the pre-exponential factor, A, and the entropies, Δ S*, enthalpies, Δ H*, Gibbs free energies, Δ G*, of the thermal decomposition reactions have been derived from thermogravimetric (TG) and differential thermogravimetric (DTG) curves. The synthesized ligand and its metal complexes were also screened for their antibacterial and antifungal activity against bacterial species ( Escherichia coli and Staphylococcus aureus) and fungi ( Aspergillus flavus and Candida albicans). The activity data show that the metal complexes are found to have antibacterial and antifungal activity than the parent drug and less than the standard.

  9. Oligocyclopentadienyl transition metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    de Azevedo, Cristina G.; Vollhardt, K. Peter C.

    2002-01-18

    Synthesis, characterization, and reactivity studies of oligocyclopentadienyl transition metal complexes, namely those of fulvalene, tercyclopentadienyl, quatercyclopentadienyl, and pentacyclopentadienyl(cyclopentadienyl) are the subject of this account. Thermal-, photo-, and redox chemistries of homo- and heteropolynuclear complexes are described.

  10. Mycobacterium Avium Complex (MAC)

    Science.gov (United States)

    ... 30, 2014 Select a Language: Fact Sheet 514 Mycobacterium Avium Complex (MAC) WHAT IS MAC? HOW DO ... INTERACTION PROBLEMS THE BOTTOM LINE WHAT IS MAC? Mycobacterium Avium Complex (MAC) is a serious illness caused ...

  11. Complex sulfides and thiosalts

    International Nuclear Information System (INIS)

    Uehlls, A.

    1987-01-01

    Different types of the structures of complex sulfides, thiosalts of alkali, alkaline earth, rare earth, transition and actinide metals are considered in the review of the papers published before 1980 and devoted to the crystal structure of complex sulfides

  12. Holograms as complex media

    Science.gov (United States)

    Caulfield, H. John

    2005-08-01

    Complex media can be grown, found in nature, or manufactured.. Holography is one way of fabricating such media. Here I review some examples of holographically manufactured complex media and speculate about some that could be made.

  13. Syntheses, crystal structures and magnetic properties of complexes based on [Ni(L-L)3]2+ complex cations with dimethylderivatives of 2,2‧-bipyridine and TCNQ

    Science.gov (United States)

    Černák, Juraj; Hegedüs, Michal; Váhovská, Lucia; Kuchár, Juraj; Šoltésová, Daniela; Čižmár, Erik; Feher, Alexander; Falvello, L. R.

    2018-03-01

    From the aqueous-methanolic systems Ni(NO3)2 - LiTCNQ - 5,5‧-dmbpy and Ni(NO3)2 - LiTCNQ - 4,4‧-dmbpy three novel complexes [Ni(5,5‧-dmbpy)3](TCNQ)2 (1), [Ni(4,4‧-dmbpy)3](TCNQ)2 (2) and [Ni(4,4‧-dmbpy)3]2(TCNQ-TCNQ)(TCNQ)2•0.60H2O (3), were isolated in single crystal form. The new compounds were identified using chemical analyses and IR spectroscopy. Single crystal studies of all samples corroborated their compositions and have shown that their ionic structures contain the complex cations [Ni(5,5‧-dmbpy)]2+ (1) or [Ni(4,4‧-dmbpy)]2+ (2 and 3). The anionic parts of the respective crystal structures 1-3 are formed by TCNQṡ- anion-radicals and in 3 also by a σ-dimerized dianion (TCNQ-TCNQ)2- with a C-C distance of 1.663(5) Å. The supramolecular structures are governed by weak hydrogen bonding interactions. The variable-temperature (2-300 K) magnetic studies of 1 and 3 confirmed the presence of magnetically active Ni(II) atoms with S = 1 and TCNQṡ- anion-radicals with S = 1/2 while the (TCNQ-TCNQ)2- dianion is magnetically silent. The magnetic behavior was described by a complex magnetic model assuming strong antiferromagnetic interactions between some TCNQṡ- anion-radicals.

  14. The simple complex numbers

    OpenAIRE

    Zalesny, Jaroslaw

    2008-01-01

    A new simple geometrical interpretation of complex numbers is presented. It differs from their usual interpretation as points in the complex plane. From the new point of view the complex numbers are rather operations on vectors than points. Moreover, in this approach the real, imaginary and complex numbers have similar interpretation. They are simply some operations on vectors. The presented interpretation is simpler, more natural, and better adjusted to possible applications in geometry and ...

  15. The Visibility Complex

    NARCIS (Netherlands)

    Pocchiola, Michel; Vegter, Gert

    1993-01-01

    We introduce the visibility complex of a collection O of n pairwise disjoint convex objects in the plane. This 2–dimensional cell complex may be considered as a generalization of the tangent visibility graph of O. Its space complexity k is proportional to the size of the tangent visibility graph. We

  16. Complex fuzzy soft multisets

    Science.gov (United States)

    Alkouri, Abd Ulazeez M.; Salleh, Abdul Razak

    2014-09-01

    In this paper we combine two definitions, namely fuzzy soft multiset and complex fuzzy set to construct the definition of a complex fuzzy soft multiset and study its properties. In other words, we study the extension of a fuzzy soft multiset from real numbers to complex numbers. We also introduce its basic operations, namely complement, union and intersection. Some examples are given.

  17. Nickel complexes with "click"-derived pyridyl-triazole ligands: weak intermolecular interactions and catalytic ethylene oligomerisation.

    Science.gov (United States)

    Schweinfurth, David; Su, Cheng-Yong; Wei, Shi-Chao; Braunstein, Pierre; Sarkar, Biprajit

    2012-11-07

    The ligands 1-(cyclohexyl)-4-(2-pyridyl)-1,2,3-triazole (1), 1-(2,6-diisopropylphenyl)-4-(2-pyridyl)-1,2,3-triazole (2), 1-(4-butoxyphenyl)-4-(2-pyridyl)-1,2,3-triazole (3) and 1-(methyl)-4-(2-pyridyl)-1,2,3-triazole (4) were synthesized by the Cu(I) catalyzed "Click" reaction between 2-pyridylacetylene and the corresponding azides. The ligands were then reacted with NiBr(2)·3H(2)O to generate the complexes (1)(2)NiBr(2) (1a), (2)(2)NiBr(2) (2a), (3)(2)NiBr(2) (3a) and (4)(2)NiBr(2) (4a). Structural characterization of 1a confirmed the mononuclear and distorted octahedral environment around the Ni(II) center, with the pyridyl-triazole ligands coordinating in a bis-chelating fashion. Bond length analysis inside the 1,2,3-triazole ring shows a short N=N double bond that is flanked by two longer C-N and N-N bonds pointing to the existence of "azo" character in the ring. The highly polar five-membered 1,2,3-triazole ring makes its C-H bond acidic, and these bonds participate in an extended weak intermolecular C-H···Br interactions with the Br-groups of neighboring molecules, resulting in a 3-D network. The nickel complexes with these "Click" ligands were tested as pre-catalysts for ethylene oligomerization, and the complexes showed moderate activity in that reaction with good selectivity towards C4 oligomers.

  18. Synthesis and Crystal Structure of Binuclear and Pentanuclear Nickel(II Complexes Containing 4-(salicylaldiminatoantipyrine Schiff base

    Directory of Open Access Journals (Sweden)

    Mohamed N. EL-Kaheli

    2015-11-01

    Full Text Available The new title binuclear Ni (II compound  (1 and the novel pentanuclear Ni (II cluster {[   } (2 are formed from the reaction of an asymmetric Schiff base ligand L (L = 4-(salicylaldiminatoantipyrine with Ni .4  in the former or Ni(ClO42.6H2O in presence of malonate in the later.  Complex (1 consists of ( ]+ cation and one uncoordinated tetraphenylborate anion.  The cation adopts a distorted octahedral arrangement around each metal center.  In the binuclear unit both Ni(II ions are linked through two phenolate (µ2-O oxygen atoms of L, and two oxygen atoms of a  bridging carboxylate group. Each Ni (II coordinates to four oxygen atoms at the basal plane, two oxygen atoms from two bridging phenolate groups, one from pyrazolone ring and the last of an aqua molecule, and at the axial positions to a bridging carboxylate-O atom and an azomethine nitrogen atom.  In the pentanuclear cluster (2 consisting of [ ]+2 cation and two tetraphenylborate anions, the core of the cation is assembled by four [Ni( ] units, linked to the central Ni-ion by two bridging water molecules. The resulting coordination sphere for the external symmetry related nickel ions is a pseudo octahedron.  The central Ni-atom unusually adopts dodecahedron geometry through its coordination to eight bridging water molecules. In complex (1 each Ni-atom is coordinated to one tridentate L ligand and in complex (2 each [Ni ( ] unit is coordinated to two bidentate L ligands.  Inter-and intramolecular hydrogen bonds are present in both crystal structures.

  19. Synthesis, characterization, density functional study and antimicrobial evaluation of a series of bischelated complexes with a dithiocarbazate Schiff base ligand

    Directory of Open Access Journals (Sweden)

    E. Zangrando

    2017-02-01

    Full Text Available A nitrogen-sulfur Schiff base HL (1 derived from S-hexyldithiocarbazate and 4-methylbenzaldehyde has been reacted with different divalent metal ions in 2:1 molar ratio, producing neutral complexes (2–7 of general formula MIIL2 (where M = Ni, Cu, Zn, Cd, Pd and Pb. All compounds were characterized using established physico-chemical and spectroscopic methods. The single crystal structures of CuII and ZnII complexes are compared and discussed with those of NiII and PdII already reported by us, underlining the geometrical variations occurring in the HL ligand upon coordination. The metal complexes, as revealed by the X-ray diffraction analyses, show a square planar or tetrahedral coordination geometry, and in the former case either a cisoid or transoid configuration of chelating ligands. Density functional theory (DFT and time-dependent density functional theory (TD-DFT calculations have been performed on the isolated cis/trans complexes of Ni and Pd complexes in order to evaluate the stability of the isomer isolated in solid state. The thermodynamic parameters for trans to cis isomerization of NiL2 complex [ΔH = −29.12 kJ/mol and ΔG = −43.97 kJ/mol] indicated that the trans isomer (observed in solid state is more stable than the cis one. On the other hand, relative enthalpy [ΔH = −4.37 kJ/mol] and Gibbs free energy [ΔG = −5.50 kJ/mol] of PdL2 complex disclosed a small difference between the energies of the two isomers. Experimental UV–vis and TD-DFT calculation confirmed that these complexes have distinctive LMCT bands with a broad shoulder at 400–550 nm. With the purpose of providing insight into the properties and behavior of the complexes in solution, photoluminescence and electrochemical experiments have been also performed. Finally, the anti-bacterial activity of these compounds was evaluated against three pathogenic Gram-negative organisms such as Escherichia coli, Salmonella typhi and Shigella flexneri, but

  20. Complex variables I essentials

    CERN Document Server

    Solomon, Alan D

    2013-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Complex Variables I includes functions of a complex variable, elementary complex functions, integrals of complex functions in the complex plane, sequences and series, and poles and r

  1. Synthesis, spectroscopic and biological activities studies of acyclic and macrocyclic mono and binuclear metal complexes containing a hard-soft Schiff base

    Science.gov (United States)

    Abou-Hussein, Azza A. A.; Linert, Wolfgang

    Mono- and bi-nuclear acyclic and macrocyclic complexes with hard-soft Schiff base, H2L, ligand derived from the reaction of 4,6-diacetylresorcinol and thiocabohydrazide, in the molar ratio 1:2 have been prepared. The H2L ligand reacts with Co(II), Ni(II), Cu(II), Zn(II), Mn(II) and UO2(VI) nitrates, VO(IV) sulfate and Ru(III) chloride to get acyclic binuclear complexes except for VO(IV) and Ru(III) which gave acyclic mono-nuclear complexes. Reaction of the acyclic mono-nuclear VO(IV) and Ru(III) complexes with 4,6-diacetylresorcinol afforded the corresponding macrocyclic mono-nuclear VO(IV) and Ru(IIII) complexes. Template reactions of the 4,6-diacetylresorcinol and thiocarbohydrazide with either VO(IV) or Ru(III) salts afforded the macrocyclic binuclear VO(IV) and Ru(III) complexes. The Schiff base, H2L, ligand acts as dibasic with two NSO-tridentate sites and can coordinate with two metal ions to form binuclear complexes after the deprotonation of the hydrogen atoms of the phenolic groups in all the complexes, except in the case of the acyclic mononuclear Ru(III) and VO(IV) complexes, where the Schiff base behaves as neutral tetradentate chelate with N2S2 donor atoms. The ligands and the metal complexes were characterized by elemental analysis, IR, UV-vis 1H-NMR, thermal gravimetric analysis (TGA) and ESR, as well as the measurements of conductivity and magnetic moments at room temperature. Electronic spectra and magnetic moments of the complexes indicate the geometries of the metal centers are either tetrahedral, square planar or octahedral. Kinetic and thermodynamic parameters were calculated using Coats-Redfern equation, for the different thermal decomposition steps of the complexes. The ligands and the metal complexes were screened for their antimicrobial activity against Staphylococcus aureus as Gram-positive bacteria, and Pseudomonas fluorescens as Gram-negative bacteria in addition to Fusarium oxysporum fungus. Most of the complexes exhibit mild

  2. The use of IR, magnetism, reflectance, and mass spectra together with thermal analyses in structure investigation of codeine phosphate complexes of d-block elements

    Science.gov (United States)

    Zayed, M. A.; El-shahat, M. F.; Abdullah, S. M.

    2005-06-01

    Codeine is an analgesic with uses similar to morphines, but it is of much less effect, i.e., it had a mild sedative effect; codeine is usually used as the phosphate form (Cod.P) and is often administrated by mouth with aspirin of paracetamol. Due to its serious use, if it is in large dose, attention is paid in this research to the synthesis and stereochemistry of new iron, cobalt, nickel, copper, and zinc complexes of this drug in both solution and the solid states. The spectra of these complexes in solution and the study of their stoichiometry refer to the formation of 1:1 ratio of metal (M) to ligand (L). The steriochemical structures of the solid complexes were studied on the basis of their analytical, spectroscopic, magnetic, and thermal data. Infrared spectra proved the presence of M sbnd O bonds. Magnetic susceptibility and solid reflectance spectral measurements were used to infer the structures. The prepared complexes were found to have the general formulae [ML(OH) x(H 2O) y](H 2O) zH 3PO 4, M: Co(II), Ni(II), and Cu(II), x = 1, y = 0, z = 0; M: Fe(II), x = 1, y = 2, z = 1; Fe(III), x = 2, y = 1, z = 0; Co(III), x = 0, y = 2, z = 1; Zn(II), x = 1, y = 0, z = 3; and L: (Cod.P) of the general formula C 18H 24NO 7P (anhydrate). Octahedral, tetrahedral, and square planer structures were proposed for these complexes depending upon the magnetic and reflectance data and were confirmed by detailed mass and thermal analyses comparative studies.

  3. Synthesis, characterization and ethylene oligomerization of nickel complexes bearing N-(2-(1H-benzo[d]imidazol-2-yl)quinolin-8-yl)benzamide derivatives.

    Science.gov (United States)

    Wang, Kefeng; Shen, Miao; Sun, Wen-Hua

    2009-06-07

    A series of N-(2-(1-R-1H-benzo[d]imidazol-2-yl)quinolin-8-yl)-2-R(1)-4-R(2)-benzamide derivatives (5-12) was synthesized and characterized. These compounds 5-11 (5: R = H, R(1) = H, R(2) = H; : R = H, R(1) = Cl, R(2) = H; :R = H, R(1) = H, R(2) = Cl; : R = H, R(1) = H, R(2) = Br; : R = Me, R(1) = H, R(2) = H; 10: R = Et, R(1) = H, R(2) = H; : R = (i)Pr, R(1) = H, R(2) = H.) were treated with KOH, and then reacted with Ni(Ac)(2).4H(2)O to form their nickel complexes (-), however, the dimethylated compound reacted with NiCl(2).6H(2)O to give complex 14a. Further investigation confirmed that compound hydrolysized into a new compound N-methyl-2-(1-methyl-1H-benzo[d]imidazol-2-yl)quinolin-8-amine 14, and alternative synthesis confirmed the formation mechanism of 14a. All nickel complexes were characterized by elemental and spectroscopic analyses, and molecular structures of the representative compounds (12, 5a and 14a ) were determined by the single-crystal X-ray diffraction. These Ni(ii) complexes exhibited good to high activities up to 7.6 x 10(6)g mol(-1)(Ni) h(-1) in ethylene oligomerization upon activation with Et(2)AlCl. The reaction conditions and the nature of ligands affected on the catalytic performances of nickel complexes.

  4. Supramolecular structures of Ni(II) and Pt(II) based on the substituted 2, 2‧: 6‧, 2″-terpyridine: Synthesis, structural characterization, luminescence and thermal properties

    Science.gov (United States)

    Momeni, Badri Z.; Rahimi, Farzaneh; Jebraeil, S. Mohammad; Janczak, Jan

    2017-12-01

    Three new d8 transitions metal complexes containing substituted-2,2‧:6‧,2″-terpyridine ligands of [NiII(pytpy)2]Cl2. H2O (pytpy = 4‧- (4-pyridyl)-2,2‧:6‧,2″-terpyridine) (1), [Pt(tpyOH)Cl]+Cl-. 2H2O (2) (tpyOH = 4‧-hydroxy-2,2‧:6‧,2″-terpyridine) and [Pt(tpySH)Cl]+Cl-.2H2O (3) (tpySH = 4‧-mercapto-2,2‧:6‧,2″-terpyridine) have been prepared. The crystal structure of 1 reveals that the nickel(II) is six-coordinated by six nitrogen atoms of pytpy in a distorted octahedral geometry NiN6, while the platinum complex (2) is four-coordinated by one Cl- and three nitrogen atoms of tpyOH in a distorted square planar geometry PtClN3. The lattice crystal water molecule plays a significant structure directing role in the complexes 1 and 2. Many strong noncovalent interactions are present in the crystal structure of 1 and 2. For example, the supramolecular network of Csbnd H⋯Cl, Osbnd H⋯Cl and Cl⋯Cl interactions connected molecules and ions in the crystalline 1, while there are several Pt⋯Pt, Csbnd H⋯Cl, H2O⋯H2O, Csbnd OH⋯H2O, Cl⋯H2O and π-π interactions in 2. The solution luminescence properties of 2 and 3 have been investigated. The emissions of the platinum complexes 2 and 3 exhibit the high-energy intense π→π* intraligand and low-energy MLCT transitions in solution. The solid-state emissions of complexes 1-3 due to the MLCT and π-π interactions are also observed in the solid state. The thermal stability of all complexes reveals that the loss of terpyridine ligand is observed at higher temperatures due to the strong metal-nitrogen bonds of terpyridine ligands.

  5. The Formation Mechanism of Fluorescent Metal Complexes at the Li x Ni 0.5 Mn 1.5 O 4-δ /Carbonate Ester Electrolyte Interface

    Energy Technology Data Exchange (ETDEWEB)

    Jarry, Angélique; Gottis, Sébastien; Yu, Young-Sang; Roque-Rosell, Josep; Kim, Chunjoong; Cabana, Jordi; Kerr, John; Kostecki, Robert

    2015-03-18

    Electrochemical oxidation of carbonate esters at the LixNi0.5Mn1.5O4-δ/electrolyte interface results in Ni/Mn dissolution and surface film formation, which negatively affect the electrochemical performance of Li-ion batteries. Ex situ X-ray absorption (XRF/XANES), Raman, and fluorescence spectroscopy, along with imaging of LixNi0.5Mn1.5O4-δ positive and graphite negative electrodes from tested Li-ion batteries, reveal the formation of a variety of MnII/III and NiII complexes with β-diketonate ligands. These metal complexes, which are generated upon anodic oxidation of ethyl and diethyl carbonates at LixNi0.5Mn1.5O4-δ, form a surface film that partially dissolves in the electrolyte. The dissolved MnIII complexes are reduced to their MnII analogues, which are incorporated into the solid electrolyte interphase surface layer at the graphite negative electrode. This work elucidates possible reaction pathways and evaluates their implications for Li+ transport kinetics in Li-ion batteries.

  6. Characterization, molecular modeling and antimicrobial activity of metal complexes of tridentate Schiff base derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 2-aminophenol

    Science.gov (United States)

    Adly, Omima M. I.

    Metal complexes of Ni(II), Co(II), Cd(II), VO(IV) and UO2(VI) as well as several Cu(II) salts, including Cl,NO3-,AcO,ClO4- and SO4-2 with a tridentate O2N donor Schiff base ligand (H2L), synthesized by condensation of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 2-aminophenol, were prepared and characterized on the basis of elemental analyses, spectral, magnetic, molar conductance and thermal gravimetric analysis. Square planar, tetrahedral and octahedral geometries have been assigned to the prepared complexes. Molecular parameters of the ligand and its metal complexes have been calculated and correlated with the experimental data, and the changes of bond lengths are linearly correlated with IR data. The antimicrobial activities of the synthesized compounds were tested in vitro against the sensitive organisms Staphylococcus aureus as Gram positive bacteria, Proteus vulgaris as Gram negative bacteria and Candida albicans as fungus strain, and the results are discussed.

  7. Simplicial complexes of graphs

    CERN Document Server

    Jonsson, Jakob

    2008-01-01

    A graph complex is a finite family of graphs closed under deletion of edges. Graph complexes show up naturally in many different areas of mathematics, including commutative algebra, geometry, and knot theory. Identifying each graph with its edge set, one may view a graph complex as a simplicial complex and hence interpret it as a geometric object. This volume examines topological properties of graph complexes, focusing on homotopy type and homology. Many of the proofs are based on Robin Forman's discrete version of Morse theory. As a byproduct, this volume also provides a loosely defined toolbox for attacking problems in topological combinatorics via discrete Morse theory. In terms of simplicity and power, arguably the most efficient tool is Forman's divide and conquer approach via decision trees; it is successfully applied to a large number of graph and digraph complexes.

  8. Measuring static complexity

    Directory of Open Access Journals (Sweden)

    Ben Goertzel

    1992-01-01

    Full Text Available The concept of “pattern” is introduced, formally defined, and used to analyze various measures of the complexity of finite binary sequences and other objects. The standard Kolmogoroff-Chaitin-Solomonoff complexity measure is considered, along with Bennett's ‘logical depth’, Koppel's ‘sophistication'’, and Chaitin's analysis of the complexity of geometric objects. The pattern-theoretic point of view illuminates the shortcomings of these measures and leads to specific improvements, it gives rise to two novel mathematical concepts--“orders” of complexity and “levels” of pattern, and it yields a new measure of complexity, the “structural complexity”, which measures the total amount of structure an entity possesses.

  9. Avoiding Simplicity Is Complex

    Science.gov (United States)

    Allender, Eric

    It is a trivial observation that every decidable set has strings of length n with Kolmogorov complexity logn + O(1) if it has any strings of length n at all. Things become much more interesting when one asks whether a similar property holds when one considers resource-bounded Kolmogorov complexity. This is the question considered here: Can a feasible set A avoid accepting strings of low resource-bounded Kolmogorov complexity, while still accepting some (or many) strings of length n?

  10. Complex Systems and Dependability

    CERN Document Server

    Zamojski, Wojciech; Sugier, Jaroslaw

    2012-01-01

    Typical contemporary complex system is a multifaceted amalgamation of technical, information, organization, software and human (users, administrators and management) resources. Complexity of such a system comes not only from its involved technical and organizational structure but mainly from complexity of information processes that must be implemented in the operational environment (data processing, monitoring, management, etc.). In such case traditional methods of reliability analysis focused mainly on technical level are usually insufficient in performance evaluation and more innovative meth

  11. Cobalt(III) complex

    Indian Academy of Sciences (India)

    Administrator

    e, 40 µM complex, 10 hrs after dissolution, f, 40 µM complex, after irradiation dose 15 Gy. and H-atoms result in reduction of Co(III) to Co. (II). 6. It is interesting to see in complex containing multiple ligands what is the fate of electron adduct species formed by electron addition. Reduction to. Co(II) and intramolecular transfer ...

  12. Conducting metal dithiolate complexes

    DEFF Research Database (Denmark)

    Underhill, A. E.; Ahmad, M. M.; Turner, D. J.

    1985-01-01

    Further work on the chemical composition of the one-dimensional metallic metal dithiolene complex Li-Pt(mnt) is reported. The electrical conduction and thermopower properties of the nickel and palladium complexes are reported and compared with those of the platinum compound......Further work on the chemical composition of the one-dimensional metallic metal dithiolene complex Li-Pt(mnt) is reported. The electrical conduction and thermopower properties of the nickel and palladium complexes are reported and compared with those of the platinum compound...

  13. The visibility complex

    NARCIS (Netherlands)

    Pocchiola, M; Vegter, G

    We introduce the visibility complex (rr 2-dimensional regular cell complex) of a collection of n pairwise disjoint convex obstacles in the plane. It can be considered as a subdivision of the set of free rays (i.e., rays whose origins lie in free space, the complement of the obstacles). Its cells

  14. complexes of pyrimidine derived

    Indian Academy of Sciences (India)

    Administrator

    HL3, HL4 and HL5) respectively. These ligands are already reported as good donors for Mo(VI) state. The μ-oxo Mo(V) complexes reported here bears a distorted octahedral geometry around each Mo atom with either N2O2Cl or N2O2Br chromophores. Fine variations in the spectroscopic behaviour of the complexes.

  15. Visual Complexity: A Review

    Science.gov (United States)

    Donderi, Don C.

    2006-01-01

    The idea of visual complexity, the history of its measurement, and its implications for behavior are reviewed, starting with structuralism and Gestalt psychology at the beginning of the 20th century and ending with visual complexity theory, perceptual learning theory, and neural circuit theory at the beginning of the 21st. Evidence is drawn from…

  16. Complex Materials and Devices

    Science.gov (United States)

    2013-03-07

    Disruptive Basic Research Areas” – Metamaterials and Plasmonics – Quantum Information Science – Cognitive Neuroscience – Nanoscience and...function Complex Electronics and Fundamental Quantum Processes Complex engineered materials and devices Devices based on quantum phenomena...fundamental quantum processes Quantum Electronic Solids (Weinstock) Photonics and Optoelectronics (Pomrenke) GHz-THz Electronics (Hwang) Natural

  17. Complexity in Picture Books

    Science.gov (United States)

    Sierschynski, Jarek; Louie, Belinda; Pughe, Bronwyn

    2015-01-01

    One of the key requirements of Common Core State Standards (CCSS) in English Language Arts is that students are able to read and access complex texts across all grade levels. The CCSS authors emphasize both the limitations and lack of accuracy in the current CCSS model of text complexity, calling for the development of new frameworks. In response…

  18. Complex conductivity of soils

    NARCIS (Netherlands)

    Revil, A.; Coperey, A.; Shao, Z.; Florsch, N.; Fabricus, I.L.; Deng, Y.; Delsman, J.R.; Pauw, P.S.; Karaoulis, M.; Louw, P.G.B. de; Baaren, E.S. van; Dabekaussen, W.; Menkovic, A.; Gunnink, J.L.

    2017-01-01

    The complex conductivity of soils remains poorly known despite the growing importance of this method in hydrogeophysics. In order to fill this gap of knowledge, we investigate the complex conductivity of 71 soils samples (including four peat samples) and one clean sand in the frequency range 0.1 Hz

  19. Genetics of complex disorders.

    Science.gov (United States)

    Kere, Juha

    2010-05-21

    The success stories of identifying genes in Mendelian disorders have stimulated research that aims at identifying the genetic determinants in complex disorders, in which both genetics, environment and chance affect the pathogenetic processes. This review summarizes the brief history and lessons learned from genetic analysis of complex disorders and outlines some landscapes ahead for medical research. 2010. Published by Elsevier Inc.

  20. Life Complexity and Diversity

    Indian Academy of Sciences (India)

    It is as if the stage is cleared from time to time to make for fresh beginnings, with major bouts of extinction. Humans are amongst the most complex products of evolution having in turn populated the world with ever growing numbers of complex artefacts. These artefacts are now threatening to overwhelm the diversity of life.