An extensible polarizable force field for transition metal ion was developed based on AMOEBA and the angular overlap model (AOM) with consistent treatment of electrostatics for all atoms. Parameters were obtained by fitting molecular mechanics (MM) energies to various ab initio gas-phase calculations. The results of parameterization were presented for copper (II) ion ligated to water and model ...

Three stable copper complexes of peptides derived from the copper ion binding loop of the subunit II of cytochrome c oxidase have been prepared and characterized by various spectroscopic techniques. These stable copper complexes of peptides were found to exhibit cysteine, histidine and/or methionine ligation, which has predominant σ-contribution in the Cys-Cu charge transfer. The copper(ii) pep...

MALDI-TOF mass spectrometry, 1H NMR spectrometry, the continuous variation method and molecular modeling by MM3 calculation confirmed our earlier studies showing that gonadotropin-releasing hormone (GnRH) forms complex with copper(II) ion with the binding ratio 1:1. The copper(II) complex formed at physiological pH has a square planar configuration and GnRH complexes with nickel(II) and cobalt(...

in the present study, we investigate the potentiometric behavior of cu2+ carbon paste electrodes based on two mercapto compounds 2-ethylmino-5-mercapto-1,3,4-thiadiazole (eamt) and 2-acetylamino-5-mercapto-1,3,4-thiadiazole (aamt) self-assembled on gold nano-paricle (gnp) as ionophore. then, the results obtained from the modified electrodes are compared. the self-assembled ionophores exhibit a ...

In the present study, we investigate the potentiometric behavior of Cu2+ carbon paste electrodes based on two mercapto compounds 2-Ethylmino-5-Mercapto-1,3,4-Thiadiazole (EAMT) and 2-Acetylamino-5-mercapto-1,3,4-thiadiazole (AAMT) self-assembled on gold nano-paricle (GNP) as ionophore. Then, the results obtained from the modified electrodes are compared. The self-assembled ionophores exhibit a ...

fabrication of a cysteamine (ca) self-assembled monolayer (sam) modified gold electrode insitufunctionalized with l-lysine (lys) is presented and described. the fabricated electrode was used forhighly selective and sensitive accumulation and the determination of copper ions (cu2+) in a nanomolarconcentration. techniques like cyclic voltammetry (cv) and electrochemical impedance spectroscopy (ei...

A phosphorescent sensor based on a multichromophoric iridium(III) complex was synthesized and characterized. The construct exhibits concomitant changes in its phosphorescence intensity ratio and phosphorescence lifetime in response to copper(II) ion. The sensor, which is reversible and selective, is able to quantify copper(II) ions in aqueous media, and it detects intracellular copper ratiometr...

the copper(ii) complex [cu(pic)2]·2h2o was synthesized with 2-picolinic acid (hpic) and copper acetate as reactants by room temperature solid-solid reaction. the composition and structure of the complex was characterized by elemental analyses, single crystal x-ray diffraction, x-ray powder diffraction, ft-ir spectroscopy and thermogravimetry-differential scanning calorimetry. the crystal struct...

Citation: Nixon RL and Ross ARS (2016) Evaluation of Immobilized Metal-Ion Affinity Chromatography and Electrospray Ionization Tandem Mass Spectrometry for Recovery and Identification of Copper(II)-Binding Ligands in Seawater Using the Model Ligand 8-Hydroxyquinoline. Front. Mar. Sci. 3:246. doi: 10.3389/fmars.2016.00246 Evaluation of Immobilized Metal-Ion Affinity Chromatography and Electrospr...

in this article, preparation of polypyrrole and its nanocomposites as adsorbents werediscussed and the capability of separation of copper ions from aqueous solution were studied.polypyrrole was prepared by chemical oxidative polymerization method of pyrrole usingfecl3 as an oxidant. the removal of cu (ii) was investigated using ppy, ppy/tio2 andppy/tio2/dhsna nanocomposites. the products were i...