Electrospinning fabrication and oxygen sensing properties of Cu(I) complex-polystyrene composite microfibrous membranes

Energy Technology Data Exchange (ETDEWEB)

Wang Liyan, E-mail: wanglykmmc@163.co [Department of Orthodontics, School of Stomatology, Fourth Military Medical University, XiAn (China); Xu Yun [Department of Orthodontics, School of Stomatology, KunMing Medical College, Kunming (China); Lin Zhu [Department of Orthodontics, School of Stomatology, Fourth Military Medical University, XiAn (China); Zhao Ning [Department of Orthodontics, School of Stomatology, West China College, SiChuan University, ChengDu (China); Xu Yanhua [Department of Orthodontics, School of Stomatology, KunMing Medical College, Kunming (China)

2011-07-15

In this paper, a phosphorescent Cu(I) complex of [Cu(POP)(ECI-Phen)]BF{sub 4}, where POP=bis[2-(diphenylphosphino)phenyl]ether, and ECI-Phen=1-ethyl-2-(N-ethyl-carbazole-yl-4-)imidazo[4,5-f]1,10-phenanthroline, is incorporated into a polystyrene matrix of polystyrene (PS) to form microfibers membranes. The possibility of using the resulted composite microfibrous membranes as an optical oxygen sensor is explored. Good linearity and short response time are obtained with a sensitivity of 9.8. These results suggest that phosphorescent [Cu(POP)(ECI-Phen)]BF{sub 4} is a promising candidate for oxygen-sensors and PS is an excellent matrix for oxygen sensing material because it owns a large surface-area-to-volume ratio and can supply a homogeneous matrix for probe molecules. Further analysis suggests that the molecular structure of diamine ligand in Cu(I) complexes is critical for sensitivity due to the characteristic electronic structure of excited state Cu(I) complexes. - Highlights: {yields} Cu(I) complex is incorporated into polystyrene matrix to form nanofibers. {yields} Resulted sample exhibit good linearity and short response time. {yields} PS is an excellent matrix for oxygen sensing material for probe molecules. {yields} Molecular structure of diamine ligand is critical for sensitivity.

Electrospinning fabrication and oxygen sensing properties of Cu(I) complex-polystyrene composite microfibrous membranes

International Nuclear Information System (INIS)

Wang Liyan; Xu Yun; Lin Zhu; Zhao Ning; Xu Yanhua

2011-01-01

In this paper, a phosphorescent Cu(I) complex of [Cu(POP)(ECI-Phen)]BF 4 , where POP=bis[2-(diphenylphosphino)phenyl]ether, and ECI-Phen=1-ethyl-2-(N-ethyl-carbazole-yl-4-)imidazo[4,5-f] 1,10-phenanthroline, is incorporated into a polystyrene matrix of polystyrene (PS) to form microfibers membranes. The possibility of using the resulted composite microfibrous membranes as an optical oxygen sensor is explored. Good linearity and short response time are obtained with a sensitivity of 9.8. These results suggest that phosphorescent [Cu(POP)(ECI-Phen)]BF 4 is a promising candidate for oxygen-sensors and PS is an excellent matrix for oxygen sensing material because it owns a large surface-area-to-volume ratio and can supply a homogeneous matrix for probe molecules. Further analysis suggests that the molecular structure of diamine ligand in Cu(I) complexes is critical for sensitivity due to the characteristic electronic structure of excited state Cu(I) complexes. - Highlights: → Cu(I) complex is incorporated into polystyrene matrix to form nanofibers. → Resulted sample exhibit good linearity and short response time. → PS is an excellent matrix for oxygen sensing material for probe molecules. → Molecular structure of diamine ligand is critical for sensitivity.

Nuclease-like activity of some Cu(II) complexes

International Nuclear Information System (INIS)

Durackova, Z.; Fenikova, L.; Svorenova, L.; Labudova, O.; Kollarova, M.; Labuda, J.

1995-01-01

The nuclease reaction of a copper complex with the macrocyclic Schiff base ligand tetrabenzo[b,f,j,n][a,3,9,13]tetraaza cyclohexadecine (TAAB) at the cleavage of DNA in aerobic conditions and the presence of ascorbic acid has been investigated and compared with that of the copper phenanthroline complex. The AT specifity of the Cu(TAAB) 2+ for both single-stranded and double-stranded DNA templates was observed. (authors), 4 figs., 6 refs

Amino acid detection using fluoroquinolone–Cu{sup 2+} complex as a switch-on fluorescent probe by competitive complexation without derivatization

Energy Technology Data Exchange (ETDEWEB)

Farokhcheh, Alireza; Alizadeh, Naader, E-mail: alizaden@modares.ac.ir

2014-01-15

In this work, we describe the use of fluoroquinolone–Cu{sup 2+} complex as a competitive switch-on fluorescence probe for amino acid determination without derivatization. The fluorescence intensity of this probe, which has been reduced due to effective quenching by Cu{sup 2+} ion, increases drastically by an addition of amino acid (glycine, phenylalanine, sarcosine, aspargine, alanine, proline, arginine, aspartic acid, glutamic acid, lysine, leucine and isoleucine). The overall stability constants of Cu{sup 2+} ion complexes with amino acids were determined by fluorometric titration of fluoroquinolone-Cu{sup 2+} complex with the amino acid solution. Furthermore, the probe shows high calibration sensitivity toward aspartic acid. The fluorescence signal depends linearly on the amino acid concentration within the range of concentration from 1.2×10{sup −7} to 1.1×10{sup −5} mol L{sup −1} for aspartic acid. The detection limit was found 2.7×10{sup −8} mol L{sup −1} with the relative standard deviation (RSD%) about 2.1% (five replicate). -- Highlights: • Amino acids are detected by using fluoroquinolone–Cu{sup 2+} complex as fluorescent probe. • Amino acids were detected based on a competitive complexation reaction. • Probe has been able to recognize amino acids through switch-on fluorescence behavior. • Ultra-trace level of aspartic and glutamic acid is determined without derivatization.

Electronic structure of the [MNH2]+ (M = Sc-Cu) complexes.

Science.gov (United States)

Hendrickx, Marc F A; Clima, Sergiu

2006-11-23

B3LYP geometry optimizations for the [MNH2]+ complexes of the first-row transition metal cations (Sc+-Cu+) were performed. Without any exception the ground states of these unsaturated amide complexes were calculated to possess planar geometries. CASPT2 binding energies that were corrected for zero-point energies and including relativistic effects show a qualitative trend across the series that closely resembles the experimental observations. The electronic structures for the complexes of the early and middle transition metal cations (Sc+-Co+) differ from the electronic structures derived for the complexes of the late transition metal cations (Ni+ and Cu+). For the former complexes the relative higher position of the 3d orbitals above the singly occupied 2p(pi) HOMO of the uncoordinated NH2 induces an electron transfer from the 3d shell to 2p(pi). The stabilization of the 3d orbitals from the left to the right along the first-row transition metal series causes these orbitals to become situated below the HOMO of the NH2 ligand for Ni+ and Cu+, preventing a transfer from occurring in the [MNH2]+ complexes of these metal cations. Analysis of the low-lying states of the amide complexes revealed a rather unique characteristic of their electronic structures that was found across the entire series. Rather exceptionally for the whole of chemistry, pi-type interactions were calculated to be stronger than the corresponding sigma-type interactions. The origin of this extraordinary behavior can be ascribed to the low-lying sp2 lone pair orbital of the NH2 ligand with respect to the 3d level.

Redox reactions of the α-synuclein-Cu(2+) complex and their effects on neuronal cell viability.

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Wang, Chengshan; Liu, Lin; Zhang, Lin; Peng, Yong; Zhou, Feimeng

2010-09-21

α-Synuclein (α-syn), a presynaptic protein believed to play an important role in neuropathology in Parkinson's disease (PD), is known to bind Cu(2+). Cu(2+) has been shown to accelerate the aggregation of α-syn to form various toxic aggregates in vitro. Copper is also a redox-active metal whose complexes with amyloidogenic proteins/peptides have been linked to oxidative stress in major neurodegenerative diseases. In this work, the formation of the Cu(2+) complex with α-syn or with an N-terminal peptide, α-syn(1-19), was confirmed with electrospray-mass spectrometry (ES-MS). The redox potentials of the Cu(2+) complex with α-syn (α-syn-Cu(2+)) and α-syn(1-19) were determined to be 0.018 and 0.053 V, respectively. Furthermore, the Cu(2+) center(s) can be readily reduced to Cu(+), and possible reactions of α-syn-Cu(2+) with cellular species (e.g., O(2), ascorbic acid, and dopamine) were investigated. The occurrence of a redox reaction can be rationalized by comparing the redox potential of the α-syn-Cu(2+) complex to that of the specific cellular species. For example, ascorbic acid can directly reduce α-syn-Cu(2+) to α-syn-Cu(+), setting up a redox cycle in which O(2) is reduced to H(2)O(2) and cellular redox species is continuously exhausted. In addition, the H(2)O(2) generated was demonstrated to reduce viability of the neuroblastoma SY-HY5Y cells. Although our results ruled out the direct oxidation of dopamine by α-syn-Cu(2+), the H(2)O(2) generated in the presence of α-syn-Cu(2+) can oxidize dopamine. Our results suggest that oxidative stress is at least partially responsible for the loss of dopaminergic cells in PD brain and reveal the multifaceted role of the α-syn-Cu(2+) complex in oxidative stress associated with PD symptoms.

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

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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).

The facile synthesis of a chitosan Cu(II) complex by solution plasma process and evaluation of their antioxidant activities.

Science.gov (United States)

Ma, Fengming; Li, Pu; Zhang, Baiqing; Wang, Zhenyu

2017-10-01

Synthesis of chitosan-Cu(II) complex by solution plasma process (SPP) irradiation was investigated. The effects of the distance between the electrodes, initial Cu(II) concentration, and initial pH on the Cu(II) adsorption capacity were evaluated. The results showed that narrower distance between the electrodes, higher initial Cu(II) concentration and higher initial pH (at pHchitosan-Cu(II) complex by ultraviolet-visible (UV-vis), fourier transform infrared (FT-IR) and electron spin resonance (ESR) spectroscopy revealed that the main structure of chitosan was not changed after irradiation. Thermogravimetry (TG) analysis indicated that Cu(II) ions were well incorporated into the chitosan. The antioxidant activity of the chitosan-Cu(II) complex was evaluated by DPPH, ABTS, and reducing power assays. The chitosan-Cu(II) complex exhibited greater antioxidant activity than the original chitosan. Thus, SPP could be used for preparation of chitosan-Cu(II) complexes. Copyright © 2017. Published by Elsevier B.V.

Spectroscopic, thermal, catalytic and biological studies of Cu(II) azo dye complexes

Science.gov (United States)

El-Sonbati, A. Z.; Diab, M. A.; El-Bindary, A. A.; Shoair, A. F.; Hussein, M. A.; El-Boz, R. A.

2017-08-01

New complexes of copper(II) with azo compounds of 5-amino-2-(aryl diazenyl)phenol (HLn) are prepared and investigated by elemental analyses, molar conductance, IR, 1H NMR, UV-Visible, mass, ESR spectra, magnetic susceptibility measurements and thermal analyses. The complexes have a square planar structure and general formula [Cu(Ln)(OAc)]H2O. Study the catalytic activities of Cu(II) complexes toward oxidation of benzyl alcohol derivatives to carbonyl compounds were tested using H2O2 as the oxidant. The intrinsic binding constants (Kb) of the ligands (HLn) and Cu(II) complexes (1-4) with CT-DNA are determined. The formed compounds have been tested for biological activity of antioxidants, antibacterial against Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria and yeast Candida albicans. Antibiotic (Ampicillin) and antifungal against (Colitrimazole) and cytotoxic compounds HL1, HL2, HL3 and complex (1) showed moderate to good activity against S. aureus, E. coli and Candida albicans, and also to be moderate on antioxidants and toxic substances. Molecular docking is used to predict the binding between the ligands with the receptor of breast cancer (2a91).

Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II Complex

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Hakan Arslan

2011-01-01

Full Text Available Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II complex has been synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, with a = 13.046(2 Å, b = 13.135(2 Å, c = 13.179(2 Å, α= 67.083(4°, β= 67.968(4°, γ = 84.756(4° and Dcalc =1.330 g/cm3 for Z = 2. The crystal structure confirms that the complex is a mononuclear copper(II complex and the 2,2-diphenyl-N-(di-n-propyl-carbamothioylacetamide ligand is a bidentate chelating ligand, coordinating to the copper atom through the thiocarbonyl and carbonyl groups. This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11°, O1-Cu1-S1: 93.85(9°, O2-Cu1-S2: 94.20(9° and S1-Cu1-S2: 91.21(4°. The title molecule shows a cis-arrangement and C–O, C–S and C–N bond lengths of the complex suggest considerable electronic delocalization in the chelate rings.

Kinetic and mechanism formation reaction of complex compound Cu with di-n-buthildithiocarbamate (dbdtc) ligand

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Haryani, S.; Kurniawan, C.; Kasmui

2018-04-01

Synthesis of complex compound is one field of research which intensively studied. Metal-dithiocarbamate complexes find wide-ranging applications in nanomaterial and metal separation science, and have potential use as chemotherapeutic, pesticides, and as additives to lubricants. However, the information about is reaction kinetic and mechanism are very much lacking. The research and analyzes results show that reaction synthesis ligand DBDTC and complex compounds Cu-DBDTC. Optimum reaction condition of formation of complex compounds Cu with DBDTC at pH=3, [DBDTC] = 4.10-3 M, and the time of reaction 5 minutes. Based the analysis varian reaction of complex compounds at pH 3 and 4, diffrence significance at the other pH: 5; 5,5; 6; 6,5 ; 7; and 8. The various of mole with reactants comosition difference sigbificance, those the time reaction for 5 and 6 minutes diffrence by significance with the other time, it is 3,4,8, and 10 minutes. The great product to at condition pH 6, the time optimum at 5 minutes and molar ratio of logam: ligand = 1:2. The reaction kinetic equation of complex compound Cu with chelathing ligand DBDTC is V=0.917106 [Cu2+]0.87921 [DBDTC]2.03021. Based on the kinetic data, and formed complex compounds estimation, the mechanism explaining by 2 stages. In the first stage formation of [Cu(DBDTC)], and then [Cu(DBDTC)2] with the last structure geomethry planar rectangle. The result of this research will be more useful if an effort is being done in reaction mechanism by chemical computation method for obtain intermediate, and for constant “k” in same stage, k1.k2. and compound complex constanta (β).

Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+

KAUST Repository

Turias, Francesc; Solà , Miquel; Falivene, Laura; Cavallo, Luigi; Poater, Albert

2015-01-01

The present computational study complements the recent experimental efforts by Karlin and coworkers to describe the interconversion of nitrite to nitric oxide by means of an iron porphyrin complex together with a Cu chemical system, i.e., the iron(II) complex (F8TPP)FeII [F8TPP = tetrakis(2,6-difluorophenyl)porphyrinate(2−)] and a preformed copper(II)–nitrito complex [(tmpa)CuII(NO2)][B(C6F5)4] [tmpa = tris(2-pyridylmethyl)amine], being the latter an oxidized species of [(tmpa)CuI(MeCN)]+. By DFT calculations, we unravel how the reduction of nitrite to nitric oxide takes place through a μ-oxo heme-FeIII–O–CuII complex, following a mimetic path as in the cytochrome c oxidase. Mayer bond order (MBO) and energy decomposition analyses are used to analyze the bonding strength of such nitro derivatives to either copper or iron. © 2015 Springer Science+Business Media New York

Nitrite to nitric oxide interconversion by heme FeII complex assisted by [CuI(tmpa)]+

KAUST Repository

Turias, Francesc

2015-09-09

The present computational study complements the recent experimental efforts by Karlin and coworkers to describe the interconversion of nitrite to nitric oxide by means of an iron porphyrin complex together with a Cu chemical system, i.e., the iron(II) complex (F8TPP)FeII [F8TPP = tetrakis(2,6-difluorophenyl)porphyrinate(2−)] and a preformed copper(II)–nitrito complex [(tmpa)CuII(NO2)][B(C6F5)4] [tmpa = tris(2-pyridylmethyl)amine], being the latter an oxidized species of [(tmpa)CuI(MeCN)]+. By DFT calculations, we unravel how the reduction of nitrite to nitric oxide takes place through a μ-oxo heme-FeIII–O–CuII complex, following a mimetic path as in the cytochrome c oxidase. Mayer bond order (MBO) and energy decomposition analyses are used to analyze the bonding strength of such nitro derivatives to either copper or iron. © 2015 Springer Science+Business Media New York

Solid state luminescence of CuI and CuNCS complexes with phenanthrolines and a new tris (aminomethyl) phosphine derived from N-methyl-2-phenylethanamine

International Nuclear Information System (INIS)

Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata

2014-01-01

A new tris (aminomethyl) phosphine derived from N-methyl-2-phenylethanamine P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 (1) has been synthesized and characterized by the NMR spectra. Also, three new copper(I) iodide or isothiocyanate complexes with 1 1,10-phenanthroline (phen) and 2,9-dimethyl-1,10-phenanthroline (dmp) [CuI(phen)P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 ] (1P) CuI(dmp)P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 ] (1I) and [CuNCS(dmp)P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 ] (1T), have been synthesized and characterized by elemental analysis as well as studied by NMR, UV–vis, IR and luminescence spectroscopies. An X-ray structure of 1P complex revealed that the geometry around Cu(I) center in this complex is distorted pseudo-tetrahedral. Investigated complexes exhibit orange, rather weak photoluminescence in the solid state. This relatively low intensity may be related to the high flattening deformations of the molecular geometries in the excited triplet states On the basis of TDDFT calculations we confirmed that the absorbance and luminescence bands of (MX,MPR 3 )LCT as well as of (MX)LCT types result mainly from the transitions from the copper–iodine (or isothiocyanate) bonds and a small admixture of copper–phosphine bonds to antibonding orbitals of phen or dmp diimines. -- Highlights: • A novel tris(aminomethyl)phosphine is obtained from N-methyl-2-phenylethanamine. • Three new CuI and CuNCS complexes with phen or dmp and a novel phosphine are presented. • The obtained complexes are luminescent in the solid state. • Main absorbance and luminescence bands are of (MX,MPR 3 )LCT as well as (MX)LCT types

Synthesis of a new ONNO donor tetradentate schiff base ligand and binuclear Cu(II) complex: Quantum chemical, spectroscopic and photoluminescence investigations

International Nuclear Information System (INIS)

Sarıoğlu, Ahmet Oral; Ceylan, Ümit; Yalçın, Şerife Pınar; Sönmez, Mehmet; Ceyhan, Gökhan; Aygün, Muhittin

2016-01-01

The Schiff base compound 3,3′-(1,4-phenylimino)-bis-[1,3-bis-(4-methoxyphenyl) propan-1-one)], formulated as C 40 H 36 N 2 O 6, and its Cu(II) complex were synthesized and characterized by analytical analysis, various spectral techniques such as FT-IR, NMR, UV–vis, magnetic measurements and molar conductivity. Thermo gravimetric analysis (TGA and DTA) carried out to obtain information about its thermal stability. The molecular structure and spectroscopic properties of the ligand were obtained with FT-IR, 1 H and 13 C NMR, UV–vis investigations as experimentally and compared with theoretical results obtained from DFT/B3LYP/6-311++G(d,p) basis set. In addition to molecular calculations of the title compound, molecular electrostatic potential (MEP), dipole moments, atomic charges, HOMO–LUMO, NLO and NBO analysis were computed. The calculated results show that the optimized geometry can well reproduce the crystal structure parameters, and the theoretical vibrational frequencies, 1 H and 13 C NMR chemical shifts show good agreement with experimental values. Photoluminescence properties of the ligand and its Cu(II) complex were examined. - Highlights: • FT-IR and 1 H– 13 C NMR spectra were recorded and compared with the theoretical results. • The photoluminescence properties were studied. • NLO, NBO analysis of the molecule were studied. • HOMO and LUMO energies, MEP distribution of the molecule were calculated.

Theoretical study of the magnetic behavior of hexanuclear Cu(II) and Ni(II) polysiloxanolato complexes.

Science.gov (United States)

Ruiz, Eliseo; Cano, Joan; Alvarez, Santiago; Caneschi, Andrea; Gatteschi, Dante

2003-06-04

A theoretical density functional study of the exchange coupling in hexanuclear polysiloxanolato-bridged complexes of Cu(II) and Ni(II) is presented. By calculating the energies of three different spin configurations, we can obtain estimates of the first-, second-, and third-neighbor exchange coupling constants. The study has been carried out for the complete structures of the Cu pristine cluster and of the chloroenclathrated Ni complex as well as for the hypotethical pristine Ni compound and for magnetically dinuclear analogues M(2)Zn(4) (M = Cu, Ni).

Neuroprotective Effects and Mechanisms of Curcumin-Cu(II) and -Zn(II) Complexes Systems and Their Pharmacological Implications.

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Yan, Fa-Shun; Sun, Jian-Long; Xie, Wen-Hai; Shen, Liang; Ji, Hong-Fang

2017-12-28

Alzheimer's disease (AD) is the main form of dementia and has a steadily increasing prevalence. As both oxidative stress and metal homeostasis are involved in the pathogenesis of AD, it would be interesting to develop a dual function agent, targeting the two factors. Curcumin, a natural compound isolated from the rhizome of Curcuma longa , is an antioxidant and can also chelate metal ions. Whether the complexes of curcumin with metal ions possess neuroprotective effects has not been evaluated. Therefore, the present study was designed to investigate the protective effects of the complexes of curcumin with Cu(II) or Zn(II) on hydrogen peroxide (H₂O₂)-induced injury and the underlying molecular mechanisms. The use of rat pheochromocytoma (PC12) cells, a widely used neuronal cell model system, was adopted. It was revealed that curcumin-Cu(II) complexes systems possessed enhanced O₂ ·- -scavenging activities compared to unchelated curcumin. In comparison with unchelated curcumin, the protective effects of curcumin-Cu(II) complexes systems were stronger than curcumin-Zn(II) system. Curcumin-Cu(II) or -Zn(II) complexes systems significantly enhanced the superoxide dismutase, catalase, and glutathione peroxidase activities and attenuated the increase of malondialdehyde levels and caspase-3 and caspase-9 activities, in a dose-dependent manner. The curcumin-Cu(II) complex system with a 2:1 ratio exhibited the most significant effect. Further mechanistic study demonstrated that curcumin-Cu(II) or -Zn(II) complexes systems inhibited cell apoptosis via downregulating the nuclear factor κB (NF-κB) pathway and upregulating Bcl-2/Bax pathway. In summary, the present study found that curcumin-Cu(II) or -Zn(II) complexes systems, especially the former, possess significant neuroprotective effects, which indicates the potential advantage of curcumin as a promising agent against AD and deserves further study.

Neuroprotective Effects and Mechanisms of Curcumin–Cu(II and –Zn(II Complexes Systems and Their Pharmacological Implications

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Fa-Shun Yan

2017-12-01

Full Text Available Alzheimer’s disease (AD is the main form of dementia and has a steadily increasing prevalence. As both oxidative stress and metal homeostasis are involved in the pathogenesis of AD, it would be interesting to develop a dual function agent, targeting the two factors. Curcumin, a natural compound isolated from the rhizome of Curcuma longa, is an antioxidant and can also chelate metal ions. Whether the complexes of curcumin with metal ions possess neuroprotective effects has not been evaluated. Therefore, the present study was designed to investigate the protective effects of the complexes of curcumin with Cu(II or Zn(II on hydrogen peroxide (H2O2-induced injury and the underlying molecular mechanisms. The use of rat pheochromocytoma (PC12 cells, a widely used neuronal cell model system, was adopted. It was revealed that curcumin–Cu(II complexes systems possessed enhanced O2·–-scavenging activities compared to unchelated curcumin. In comparison with unchelated curcumin, the protective effects of curcumin–Cu(II complexes systems were stronger than curcumin–Zn(II system. Curcumin–Cu(II or –Zn(II complexes systems significantly enhanced the superoxide dismutase, catalase, and glutathione peroxidase activities and attenuated the increase of malondialdehyde levels and caspase-3 and caspase-9 activities, in a dose-dependent manner. The curcumin–Cu(II complex system with a 2:1 ratio exhibited the most significant effect. Further mechanistic study demonstrated that curcumin–Cu(II or –Zn(II complexes systems inhibited cell apoptosis via downregulating the nuclear factor κB (NF-κB pathway and upregulating Bcl-2/Bax pathway. In summary, the present study found that curcumin–Cu(II or –Zn(II complexes systems, especially the former, possess significant neuroprotective effects, which indicates the potential advantage of curcumin as a promising agent against AD and deserves further study.

Surface complexation modeling of Cu(II adsorption on mixtures of hydrous ferric oxide and kaolinite

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Schaller Melinda S

2008-09-01

Full Text Available Abstract Background The application of surface complexation models (SCMs to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO, pure kaolinite (from two sources and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples.

Equilibrium and NMR studies on GdIII, YIII, CuII and ZnII complexes of various DTPA-N,N''-bis(amide) ligands. Kinetic stabilities of the gadolinium(III) complexes.

Science.gov (United States)

Jászberényi, Zoltán; Bányai, István; Brücher, Ernö; Király, Róbert; Hideg, Kálmán; Kálai, Tamás

2006-02-28

Three DTPA-derivative ligands, the non-substituted DTPA-bis(amide) (L(0)), the mono-substituted DTPA-bis(n-butylamide) (L(1)) and the di-substituted DTPA-bis[bis(n-butylamide)] (L(2)) were synthesized. The stability constants of their Gd3+ complexes (GdL) have been determined by pH-potentiometry with the use of EDTA or DTPA as competing ligands. The endogenous Cu2+ and Zn2+ ions form ML, MHL and M(2)L species. For the complexes CuL(0) and CuL(1) the dissociation of the amide hydrogens (CuLH(-1)) has also been detected. The stability constants of complexes formed with Gd3+, Cu2+ and Zn2+ increase with an increase in the number of butyl substituents in the order ML(0) DTPA)2-, while the complex GdL2 possesses a much higher kinetic stability.

Aryl-1H-imidazole[4,5f][1,10]phenanthroline Cu(II) complexes: Electrochemical and DNA interaction studies.

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Rajebhosale, Bharati S; Dongre, Shivali N; Deshpande, Sameer S; Kate, Anup N; Kumbhar, Anupa A

2017-10-01

The reaction of aryl imidazo[4,5f] [1,10]phenanthrolines with Cu(NO 3 ) 2 lead to the formation of Cu(II) complexes of the type [Cu(L)(NO 3 ) 2 ] where L=PIP, 2-(phenyl) [4,5f] imidazo phenanthroline; HPIP=2-(2-hydroxyphenyl)imidazo [4,5f] phenanthroline and NIP=2-(naphthyl) [4,5f] imidazo phenanthroline. The interaction of these complexes with calf thymus DNA has been studied using viscosity measurements, UV-visible and fluorescence spectroscopy. Chemical nuclease activity of these complexes has also been investigated. All complexes cleave DNA via oxidative pathway involving singlet oxygen. Molecular docking studies revealed that these complexes bind to DNA through minor groove. Copyright © 2017 Elsevier Inc. All rights reserved.

Synthesis, characterization and antifungal efficacy of C-coordinated O-carboxymethyl chitosan Cu(II) complexes.

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Liu, Weixiang; Qin, Yukun; Liu, Song; Xing, Ronge; Yu, Huahua; Chen, Xiaolin; Li, Kecheng; Li, Pengcheng

2017-03-15

A novel type of O-carboxymethyl chitosan Schiff bases (O-CSPX) was synthesized via a condensation reaction. After the coordination reaction of cupric ions, Cu(II) complexes (O-CSPX-Cu) were achieved. The theoretical structure of O-CSPX-Cu calculated by Gaussian 09 reveals that the copper ions underwent dsp 2 hybridization, coordinated by the carbon atom in the p-π conjugate group and the oxygen atoms in the acetate ion. Then, the structures were confirmed by FT-IR, 1 H NMR, CP-MAS 13 C NMR, elemental analysis, DSC and XRD. The antifungal properties of O-CSPX-Cu against Phytophthora capsici (P. capsici), Gibberella zeae (G. zeae) and Glomerella cingulata (G. cingulata) were evaluated at concentrations ranging from 0.05mg/mL to 0.20mg/mL. The experiments indicated that the derivatives have significantly enhanced antifungal activity after copper ion complexation compared with the original chitosan. Moreover, it was shown that 0.20mg/mL of O-CSP3-Cu and O-CSP4-Cu can 100% inhibit the growth of P. capsici. The experimental results reveal that the antifungal efficiency is related to the space steric hindrance on the benzene ring, which may provide a novel direction for the development of copper fungicides. Copyright © 2016 Elsevier Ltd. All rights reserved.

Spectroscopic evaluation of Co(II), Ni(II) and Cu(II) complexes derived from thiosemicarbazone and semicarbazone

Science.gov (United States)

Chandra, Sulekh; Kumar, Anil

2007-12-01

Co(II), Ni(II) and Cu(II) complexes were synthesized with thiosemicarbazone (L 1) and semicarbazone (L 2) derived from 2-acetyl furan. These complexes were characterized by elemental analysis, molar conductance, magnetic moment, mass, IR, electronic and EPR spectral studies. The molar conductance measurement of the complexes in DMSO corresponds to non-electrolytic nature. All the complexes are of high-spin type. On the basis of different spectral studies six coordinated geometry may be assigned for all the complexes except Co(L) 2(SO 4) and Cu(L) 2(SO 4) [where L = L 1 and L 2] which are of five coordinated square pyramidal geometry.

Browse Title Index

African Journals Online (AJOL)

Items 651 - 700 of 1007 ... Issue, Title. Vol 4, No 1 (1990), Kinetics of oxidation of β-diimihe macrocyclic complexes and accessibility of six-coordinate copper(III) complexes generated by electrochemical oxidation of copper(II) complexes, Abstract PDF. Mohamed A. Khalifa. Vol 14, No 2 (2000), Kinetics of periodate oxidation of ...

Superconducting Bi-Sr-Ca-Cu-O thin films from metallo-organic complexes

International Nuclear Information System (INIS)

Gruber, H.; Krautz, E.; Fritzer, H.P.; Popitsch, A.

1991-01-01

Thin films in the Bi-Sr-Ca-Cu-O system are produced by decomposition of organic precursor compounds containing different metallo-organic complexes. The superconducting phase identified is Bi 2 Sr 2 CaCu 2 O 8+x on (100)-MgO single crystal substrates, polycrystalline Au- and Ag-ribbons and Bi 2 Sr 2 Ca 2 Cu 3 O 10+x on Ag-ribbons. For the 2212-phase a zero resistance temperature of 79 K is found. The 2223-samples on Ag-ribbons show a broad transition at 110 K with a zero resistance at 85 K. SEM and EDX are used for the detection of the microstructure and composition of the prepared films. (orig.)

EPR interpretation, magnetism and biological study of a Cu(II) dinuclear complex assisted by a schiff base precursor.

Science.gov (United States)

Das, Kuheli; Patra, Chiranjit; Sen, Chandana; Datta, Amitabha; Massera, Chiara; Garribba, Eugenio; El Fallah, Mohamed Salah; Beyene, Belete B; Hung, Chen-Hsiung; Sinha, Chittaranjan; Askun, Tulin; Celikboyun, Pinar; Escudero, Daniel; Frontera, Antonio

2017-06-01

A new Cu(II) dinuclear complex, Cu 2 L 2 (1) was afforded employing the potentially pentatentate Schiff base precursor H 2 L, a refluxed product of o-vanillin and diethylenetriamine in methanol. Complex 1 was systematically characterized by FTIR, UV-Vis, emission and EPR spectrometry. The single crystal X-ray diffraction analysis of 1 reveals that the copper atom exhibits a distorted square planar geometry, comprising two pairs of phenolato-O and imine-N donors from two different H 2 L ligands. The temperature dependent magnetic interpretation agrees with the existence of weak antiferromagnetic interactions between the bridging dinuclear Cu(II) ions. A considerable body of experimental evidence has been accumulated to elucidate the magneto-structural relationship in this dinuclear Cu(II) complex by DFT computation. Both the ligand and complex 1 exhibit anti-mycobacterial activity and considerable efficacy on M. tuberculosis H 37 Ra (ATCC 25177) and M. tuberculosis H 37 Rv (ATCC 25618) strains. The practical applicability of the ligand and complex 1 has been examined in living cells (African Monkey Vero Cells). The MTT assay proves the non-toxicity of the probe up to 100 mg mL -1 . A new homometallic dinuclear Cu(II) complex is afforded with a tetradentate Schiff base precursor. EPR interpretation and temperature dependent magnetic studies show that complex 1 has weak antiferromagnetic coupling and DFT computation is governed to explain the magneto-structural correlation.

The piroxicam complex of copper(II), trans-[Cu(Pir)2(THF)2], and its interaction with DNA

Science.gov (United States)

Hadadzadeh, Hassan; Salimi, Mona; Weil, Matthias; Jannesari, Zahra; Darabi, Farivash; Abdi, Khatereh; Khalaji, Aliakbar Dehno; Sardari, Soroush; Ahangari, Reza

2012-08-01

The mononuclear Cu(II) complex, trans-[Cu(Pir)2(THF)2], where Pir is 4-hydroxy-2-methyl-N-2-pyridyl-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide (piroxicam), has been prepared and characterized by elemental analysis, spectroscopic methods (UV-Vis, IR, and 1H NMR) and single crystal X-ray structure analysis. The molecular structure of the centrosymmetric complex is made up of two monoanionic bidentate Pir ligands coordinated to the Cu(II) atom through the pyridyl N atom and the carbonyl O atom of the amide group in equatorial positions. The elongated rhombic octahedral (ERO) coordination of the CuNONOO2″ chromophore is completed by the O atoms of two THF molecules in axial positions. A strong intramolecular hydrogen bond between the amide N-H function and the enolate O atom confirms the ZZZ conformation of piroxicam. In addition, CD spectroscopy and gel electrophoresis assays have been used to investigate the interaction of the complex with DNA. The results revealed that the binding of the complex with DNA led to DNA backbone distortion.

High-pressure synthesis of CuBa2Ca3Cu4O10+δ superconductor from precursors prepared by a polymerized complex method

International Nuclear Information System (INIS)

Aoba, Tomoya; Bizen, Takeshi; Suzuki, Tsuneo; Nakayama, Tadachika; Suematsu, Hisayuki; Niihara, Koichi; Katsumata, Tetsuhiro; Inaguma, Yoshiyuki

2011-01-01

Samples of a CuBa 2 Ca 3 Cu 4 O 10+ δ superconductor were synthesized under a high pressure of 5 GPa at 1100-1200degC for 30 min using precursors produced by solid-state reaction and polymerized complex methods. Compared with the precursors prepared by the solid-state reaction method, the precursors produced by the polymerized complex method have low grain sizes. The superconductive transition temperature of the samples prepared using precursors made by the polymerized complex method was found to be 113 K. The volume fractions of the superconducting phase in the samples prepared using precursors made by the solid-state reaction and polymerized complex methods were 49 and 36%, respectively. From these results, precursors made by the polymerized complex method can be used in the high-pressure synthesis of superconductors similarly to those made by the solid-state reaction method. (author)

Electron Transfer Mediators for Photoelectrochemical Cells Based on Cu(I Metal Complexes

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Michele Brugnati

2007-01-01

Full Text Available The preparation and the photoelectrochemical characterization of a series of bipyridine and pyridyl-quinoline Cu(I complexes, used as electron transfer mediators in regenerative photoelectrochemical cells, are reported. The best performing mediators produced maximum IPCEs of the order of 35–40%. The J-V curves recorded under monochromatic light showed that the selected Cu(I/(II couples generated higher Vocs and fill factors compared to an equivalent I-/I3- cell, due to a decreased dark current.

Mixed-ligand complex formation equilibria of Cu with biguanide in ...

Indian Academy of Sciences (India)

Unknown

by potentiometric investigation on the decomposi- tion of the corresponding complexes with acid.16–18. Literature ... the molecular mechanism of actions of biguanide derivatives as drugs. Results of such investigation .... tems, higher values may be possible. For the ternary. 1 : 1 : 1 CuII : Bg : HG system, p = q = r = 1 and for.

Preparation of YBa2Cu3O7-δ powders by the thermal decomposition of a heteronuclear complex, CuY1/3Ba2/3(dhbaen)(NO3)1/3(H2O)3

International Nuclear Information System (INIS)

Hasegawa, E.; Aono, H.; Sadaoka, Y.; Traversa, E.

1999-01-01

YBa 2 Cu 3 O 7-δ powders were prepared by the thermal decomposition of a heteronuclear complex, CuY 1/3 Ba 2/3 (dhbaen)(NO 3 ) 1/3 (H 2 O) 3 . The products of the complex thermal decomposition were analyzed by TG-DTA, XRD, SEM-Auger and XPS. The decomposition of the CuY 1/3 Ba 2/3 -complex was obtained at about 500 C and the product was a mixture of oxides and carbonates. The formation of YBa 2 Cu 3 O 7-δ proceeded at 800 C, with a gradual decomposition of the carbonates. A homogeneous distribution of each element, Y, Ba, and Cu, was observed for the decomposed CuY 1/3 Ba 2/3 -complex by SEM-Auger analysis. The binding energy values of Ba3d 5/2 and O1s photolines from Ba and O in the superconductive lattice did not shift during the sputtering period. Furthermore, the formation of Ba rich regions on the surface was depressed by using the complex as a starting material for homogeneous 123-oxide, YBa 2 Cu 3 O 7-δ . (orig.)

ESR studies of heat denaturation in Cu myoglobin complexes

International Nuclear Information System (INIS)

Louro, S.R.W.; Ribeiro, S.C.; Bemski, G.

1975-01-01

An investigation is made on the behaviour of Cu2 + and Fe3 + in copper doped myoglobin, subjected to heat treatment. ESR is observed at X-band. The amplitude of the g = 5.9 line of the high spin F 3 + in met-myoglobin is studied as a function of the temperature of the heat treatment, the pH and the length of time of exposure to the heat treatment. These experiments are performed for both the pure protein and for the copper-myoglobin complex, at pH between 5 and 8.5. Results concerning the decrease of the amplitude of Fe 3+ high spin signal are discussed in comparison with Hollocher's results in hemoglobin. The Cu spectra obtained are interpreted, with the aid of a computer program, Kivelson and Neiman's results being used to analyse the authors data

Halogen-bonded network of trinuclear copper(II 4-iodopyrazolate complexes formed by mutual breakdown of chloroform and nanojars

Directory of Open Access Journals (Sweden)

Stuart A. Surmann

2016-11-01

Full Text Available Crystals of bis(tetrabutylammonium di-μ3-chlorido-tris(μ2-4-iodopyrazolato-κ2N:N′tris[chloridocuprate(II] 1,4-dioxane hemisolvate, (C16H36N2[Cu3(C3H2IN23Cl5]·0.5C4H8O or (Bu4N2[CuII3(μ3-Cl2(μ-4-I-pz3Cl3]·0.5C4H8O, were obtained by evaporating a solution of (Bu4N2[{CuII(μ-OH(μ-4-I-pz}nCO3] (n = 27–31 nanojars in chloroform/1,4-dioxane. The decomposition of chloroform in the presence of oxygen and moisture provides HCl, which leads to the breakdown of nanojars to the title trinuclear copper(II pyrazolate complex, and possibly CuII ions and free 4-iodopyrazole. CuII ions, in turn, act as catalyst for the accelerated decomposition of chloroform, ultimately leading to the complete breakdown of nanojars. The crystal structure presented here provides the first structural description of a trinuclear copper(II pyrazolate complex with iodine-substituted pyrazoles. In contrast to related trinuclear complexes based on differently substituted 4-R-pyrazoles (R = H, Cl, Br, Me, the [Cu3(μ-4-I-pz3Cl3] core in the title complex is nearly planar. This difference is likely a result of the presence of the iodine substituent, which provides a unique, novel feature in copper pyrazolate chemistry. Thus, the iodine atoms form halogen bonds with the terminal chlorido ligands of the surrounding complexes [mean length of I...Cl contacts = 3.48 (1 Å], leading to an extended two-dimensional, halogen-bonded network along (-110. The cavities within this framework are filled by centrosymmetric 1,4-dioxane solvent molecules, which create further bridges via C—H...Cl hydrogen bonds with terminal chlorido ligands of the trinuclear complex not involved in halogen bonding.

Theoretical Rationalization of the Emission Properties of Prototypical Cu(I)-Phenanthroline Complexes.

Science.gov (United States)

Capano, G; Rothlisberger, U; Tavernelli, I; Penfold, T J

2015-07-09

The excited state properties of transition metal complexes have become a central focus of research owing to a wide range of possible applications that seek to exploit their luminescence properties. Herein, we use density functional theory (DFT), time-dependent DFT (TDDFT), classical and quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations to provide a full understanding on the role of the geometric and electronic structure, spin-orbit coupling, singlet-triplet gap and the solvent environment on the emission properties of nine prototypical copper(I)-phenanthroline complexes. Our calculations reveal clear trends in the electronic properties that are strongly correlated to the luminescence properties, allowing us to rationalize the role of specific structural modifications. The MD simulations show, in agreement with recent experimental observations, that the lifetime shortening of the excited triplet state in donor solvents (acetonitrile) is not due to the formation of an exciplex. Instead, the solute-solvent interaction is transient and arises from solvent structures that are similar to the ones already present in the ground state. These results based on a subset of the prototypical mononuclear Cu(I) complexes shed general insight into these complexes that may be exploited for development of mononuclear Cu(I) complexes for applications as, for example, emitters in third generation OLEDs.

Synthesis, characterization and biological assay of Salicylaldehyde Schiff base Cu(II) complexes and their precursors

Science.gov (United States)

Iftikhar, Bushra; Javed, Kanwal; Khan, Muhammad Saif Ullah; Akhter, Zareen; Mirza, Bushra; Mckee, Vickie

2018-03-01

Three new Schiff base ligands were synthesized by the reaction of Salicylaldehyde with semi-aromatic diamines, prepared by the reduction of corresponding dinitro-compounds, and were further used for the formation of complexes with Cu(II) metal ion. The structural features of the synthesized compounds were confirmed by their physical properties and infrared, electronic and NMR spectroscopic techniques. The studies revealed that the synthesized Schiff bases existed as tetradentate ligands and bonded to the metal ion through the phenolic oxygen and azomethine nitrogen. One of the dinitro precursors was also analyzed by single crystal X-ray crystallography, which showed that it crystallizes in monoclinic system with space group P2/n. The thermal behavior of the Cu(II) complexes was determined by thermogravimetric analysis (TGA) and kinetic parameters were evaluated from the data. Schiff base ligands, their precursors and metal complexes were also screened for antibacterial, antifungal, antitumor, Brine shrimp lethality, DPPH free radical scavenging and DNA damage assays. The results of these analyses indicated the substantial potential of the synthesized Schiff bases, their precursors and Cu(II) complexes in biological field as future drugs.

Synthesis of 3,5-diisopropyl[carboxy-14C]salicylic acid and its 67Cu complex

International Nuclear Information System (INIS)

Chidambaram, M.V.; Epperson, C.E.; Williams, S.; Gray, R.A.; Sorenson, J.R.J.

1991-01-01

The synthesis of 3,5-diisopropyl[carboxy- 14 C]salicylic acid was achieved via Kolbe-Schmitt carboxylation of potassium 2,4-di-isopropylphenolate. The yield of this acid was 81% based upon the weight of the product and 93% based upon radioactivity incorporated into the labeled acid which contains 98% 14 C in the carboxyl group (specific activity = 5.1 μCi/mg). The labeled acid was characterized by ultraviolet spectrophotometry and purity established by thin-layer chromatography, autoradiography, and liquid scintillation counting. A 90% yield of the double labeled 14 C, 67 Cu-complex (specific activity = 4.6 μCi 67 Cu/mg) was obtained using conditions developed with non-radioactive reactants. The presence of 67 Cu in this complex was established using γ-ray emission spectrophometry. (author)

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.

The Cu2+-nitrilotriacetic acid complex improves loading of α-helical double histidine site for precise distance measurements by pulsed ESR

Science.gov (United States)

Ghosh, Shreya; Lawless, Matthew J.; Rule, Gordon S.; Saxena, Sunil

2018-01-01

Site-directed spin labeling using two strategically placed natural histidine residues allows for the rigid attachment of paramagnetic Cu2+. This double histidine (dHis) motif enables extremely precise, narrow distance distributions resolved by Cu2+-based pulsed ESR. Furthermore, the distance measurements are easily relatable to the protein backbone-structure. The Cu2+ ion has, till now, been introduced as a complex with the chelating agent iminodiacetic acid (IDA) to prevent unspecific binding. Recently, this method was found to have two limiting concerns that include poor selectivity towards α-helices and incomplete Cu2+-IDA complexation. Herein, we introduce an alternative method of dHis-Cu2+ loading using the nitrilotriacetic acid (NTA)-Cu2+ complex. We find that the Cu2+-NTA complex shows a four-fold increase in selectivity toward α-helical dHis sites. Furthermore, we show that 100% Cu2+-NTA complexation is achievable, enabling precise dHis loading and resulting in no free Cu2+ in solution. We analyze the optimum dHis loading conditions using both continuous wave and pulsed ESR. We implement these findings to show increased sensitivity of the Double Electron-Electron Resonance (DEER) experiment in two different protein systems. The DEER signal is increased within the immunoglobulin binding domain of protein G (called GB1). We measure distances between a dHis site on an α-helix and dHis site either on a mid-strand or a non-hydrogen bonded edge-strand β-sheet. Finally, the DEER signal is increased twofold within two α-helix dHis sites in the enzymatic dimer glutathione S-transferase exemplifying the enhanced α-helical selectivity of Cu2+-NTA.

Thermochemical properties of oxides in Y-Ba-Cu-O, Sr-Bi-O, Cu-Nb-O, Sr-Cu-O, Ca-Cu-O, Cu-O and Hg-Ba-Ca-Cu-O systems

International Nuclear Information System (INIS)

Moiseev, G.K.; Vatolin, N.A.; Il'inykh, N.I.

2000-01-01

Thermochemical properties (ΔH 0 298 , S 0 298 , H 0 298 -H 0 0 , C p (T), C p at T>T melt ) of complex oxides in Y-Ba-Cu-O, Sr-Bi-O, Cu-Nb-O, Sr-Cu-O, Ca-Cu-O, Cu-O and Hg-Ba-Ca-Cu-O systems obtained with application of calculation methods are presented. Nonexperimental methods of estimation, revision and correction of standard formation enthalpies of inorganic compounds are described [ru

Synthesis, solid-state structure and supramolecularity of [Cu(pyterpy2](ClO42

Directory of Open Access Journals (Sweden)

Mohammed A. Al-Anber

2015-09-01

Full Text Available The copper(II polypyridyl complex [Cu(pyterpy2](ClO42 (3 (pyterpy = 4′-(4-pyridyl-2,2′:6,2″-terpyridine was prepared by the reaction of pyterpy (1 with stoichiometric amounts of [Cu(ClO42·6H2O] (2. The progress of the reaction was controlled by FT-IR and UV–vis spectroscopy. The title complex crystallized in the tetragonal space group I4(1/a with unit cell dimensions of a = 8.6277(1, b = 8.6277(1, c = 57.6398(10 Å, V = 4290.55(12 Å3, and Z = 4. The structure of 3 in the solid-state consists of discrete [Cu(pyterpy2]+ ions with copper(II in a distorted octahedral environment setup by two meridional coordinated tripodal 4′-(4-pyridyl-2,2′:6,2″-terpyridine ligands of which the pyridyl unit stays free. Face-to-face π-interactions between terminal coordinated terpy C5N rings link adjacent [Cu(pyterpy2]2+ units resulting in the formation of a 2D-polymer. The geometrical-to-geometrical centroid distance (d is 3.568 Å.

Cu(II) and Co(II) complexes of benzimidazole derivative: Structures, catecholase like activities and interaction studies with hydrogen peroxide

Science.gov (United States)

Kumari, Babli; Adhikari, Sangita; Matalobos, Jesús Sanmartín; Das, Debasis

2018-01-01

Present study describes the synthesis and single crystal X-ray structures of two metal complexes of benzimidazole derivative (PBI), viz. the Cu(II) complex, [Cu(PBI)2(NCS)]ClO4 (1) and a Co(II) complex, [Co(PBI)2(NCS)1.75Cl0.25] (2). The Cu(II) complex (1) shows catecholase like activity having Kcat = 1.84 × 104 h-1. Moreover, interactions of the complexes with hydrogen peroxide have been investigated using fluorescence spectroscopy. The interaction constant of 1 and 2 for H2O2 are 6.67 × 102 M-1 and 1.049 × 103 M-1 while their detection limits for H2O2 are 3.37 × 10-7 M and 2.46 × 10-7 M respectively.

Cu(II AND Zn(II COMPLEX COMPOUNDS WITH BIGUANIDES AROMATIC DERIVATIVES. SYNTHESIS, CHARACTERIZATION, BIOLOGICAL ACTIVITY

Directory of Open Access Journals (Sweden)

Ticuţa Negreanu-Pîrjol

2011-05-01

Full Text Available In this paper we report the synthesis, physical-chemical characterization and antimicrobial activity of some new complex compounds of hetero-aromatic biguanides ligands, chlorhexidine base (CHX and chlorhexidine diacetate (CHXac2 with metallic ions Cu(II and Zn(II, in different molar ratio. The synthesized complexes were characterized by elemental chemical analysis and differential thermal analysis. The stereochemistry of the metallic ions was determined by infrared spectra, UV-Vis, EPR spectroscopy and magnetic susceptibility in the aim to establish the complexes structures. The biological activity of the new complex compounds was identified in solid technique by measuring minimum inhibition diameter of bacterial and fungal culture, against three standard pathogen strains, Escherichia coli ATCC 25922, Staphilococcus aureus ATCC 25923 and Candida albicans ATCC 10231. The results show an increased specific antimicrobial activity for the complexes chlorhexidine:Cu(II 1:1 and 1:2 compared with the one of the Zn(II complexes.

Highly selective detection of glutathione using a NIP/Cu2+ complex fluorescent probe

International Nuclear Information System (INIS)

Liang Wenrui; Zhao Zhi; Zhang Yang; Wang Qiusheng; Zhao Xin; Ouyang Jie

2012-01-01

A novel fluorescent compound, 4-(trimethyl ammonium chloride)acetamide-2-(1H-naphtho[2,3-d]imidazol-2-yl)phenol (TMACA-NIP), was synthesized and used as a fluorescent probe for detecting glutathione reduced (GSH). The new NIP-based probe exhibited high fluorescence in water, which was quenched during the presence of copper (II) due to the complexation between TMACA-NIP and Cu 2+ . But after adding GSH into the TMACA-NIP and Cu 2+ system, the fluorescence of TMACA-NIP was recovered because the binding force between GSH and Cu 2+ is stronger than that between TMACA-NIP and Cu 2+ , which destroys the equilibrium between NIP and copper (II) ions and releases the fluorescence probe of TMACA-NIP. This three-component competing system of NIP/Cu 2+ /GSH can be used to detect GSH simply and rapidly. - Highlights: ► A novel fluorescence probe was developed to detect GSH that operates in aqueous solution. ► TMACA-NIP was synthesized and employed as “read-out” units of NIP/Cu 2+ /GSH. ► NIP-based probe shows high selectivity over other sulfhydryl compounds.

Synthesis and spectroscopy of clay intercalated Cu(II) bio-monomer complexes: coordination of Cu(II) with purines and nucleotides

NARCIS (Netherlands)

Weckhuysen, B.M.; Leeman, H.; Schoonheydt, R.A.

1999-01-01

The spectroscopic properties of Cu(bio-monomer)nm+ complexes [BM=bio-monomer (purine, adenine, guanine, hypoxanthine, 5-ADP and 5-GMP)] in saponite clays have been investigated by diffuse reflectance spectroscopy (DRS) in the UV-Vis-NIR region and electron paramagnetic resonance (EPR) at X-band.

Bonding in d9 complexes derived from EPR: Application to CuCl2-4, CuBr2-4, and CdCl2:Cu2+

Science.gov (United States)

Aramburu, J. A.; Moreno, M.

1985-12-01

In this work are reported the theoretical expressions for the [g], hyperfine, and superhyperfine (shf) tensors of a d9 square-planar complex within a molecular orbital (MO) scheme. These expressions include contributions arising from crystal field and charge transfer excitations calculated up to third and second order perturbations, respectively. This makes the present framework more general than those previously used. Through those expressions we have derived from the experimental EPR and optical data the MO coefficients corresponding to the valence b1g(x2-y2), b2g(xy), and eg(xz,yz) levels and also the core polarization contribution K to the hyperfine tensor for the systems CuCl2-4, CuBr2-4, and CdCl2:Cu2+. The 3d charge obtained for CuCl2-4 is equal to 0.61, 0.83, and 0.85 for the antibonding 3b1g, 2b2g, and 2eg levels, respectively. These figures are much closer to the Xα results by Bencini and Gatteschi [J. Am. Chem. Soc. 105, 5535 (1983)] than to those by Desjardins et al. [J. Am. Chem. Soc. 105, 4590 (1983)]. The σ and π covalency for CuBr2-4 are both higher than for CuCl2-4 in accord to the lower electronegativity for bromine. However, only for the antibonding 3b1g level of CuBr2-4 have we obtained an electronic charge lying mainly on ligands. The covalency of CdCl2:Cu2+ is smaller than that found for CuCl2-4, a fact associated to a higher metal-ligand distance for the former. Evidence of this statement are also given from the analysis of crystal-field spectra and isotropic shf constant. The values of K derived for CuCl2-4 (128.1×10-4 cm-1), CuBr2-4 (103.6×10-4 cm-1), and CdCl2:Cu2+ (123.9×10-4 cm-1) point out the dependence of K on the equatorial covalency but also on the existence of axial ligands. The [g] tensor of CuBr2-4 is dominated by the charge transfer contribution while the crystal field one is negative. Finally an analysis of the importance of each one of the involved contributions to the spin-Hamiltonian parameters is reported for the

Further differentiating item and order information in semantic memory: students' recall of words from the "CU Fight Song", Harry Potter book titles, and Scooby Doo theme song.

Science.gov (United States)

Overstreet, Michael F; Healy, Alice F; Neath, Ian

2017-01-01

University of Colorado (CU) students were tested for both order and item information in their semantic memory for the "CU Fight Song". Following an earlier study by Overstreet and Healy [(2011). Item and order information in semantic memory: Students' retention of the "CU fight song" lyrics. Memory & Cognition, 39, 251-259. doi: 10.3758/s13421-010-0018-3 ], a symmetrical bow-shaped serial position function (with both primacy and recency advantages) was found for reconstructing the order of the nine lines in the song, whereas a function with no primacy advantage was found for recalling a missing word from each line. This difference between order and item information was found even though students filled in missing words without any alternatives provided and missing words came from the beginning, middle, or end of each line. Similar results were found for CU students' recall of the sequence of Harry Potter book titles and the lyrics of the Scooby Doo theme song. These findings strengthen the claim that the pronounced serial position function in semantic memory occurs largely because of the retention of order, rather than item, information.

Quantum chemical calculations and experimental investigations on 2-aminobenzoic acid-cyclodiphosph(V)azane derivative and its homo-binuclear Cu(II) complex

Science.gov (United States)

El-Gogary, Tarek M.; Alaghaz, Abdel-Nasser M. A.; Ammar, Reda A. A.

2012-03-01

A novel 2-aminobenzoic acid-cyclodiphosph(V)azane ligand H4L and its homo-binuclear Cu(II) complex of the type [Cu2L(H2O)2].2.5 H2O in which L is 1,3-di(-o-pyridyl)-2,4-(dioxo)-2',4'-bis-(2-iminobenzoic acid) cyclodiphosph(V)azane, were synthesized and characterized by different physical techniques. Infrared spectra of the complex indicate deprotonation and coordination of the imine NH and carboxyl COOH groups. It also confirms that nitrogen atom of the pyridine ring contribute to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square-planar geometry for the Cu(II) complex. The elemental analyses and thermogravimetric results have justified the [Cu2L(H2O)2]·2.5H2O composition of the complex. Quantum chemical calculations were utilized to explore the electronic structure and stability of the H4L as well as the binuclear Cu(II) complex. Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of H4L and its binuclear Cu(II) complex. Different tautomers and geometrical isomers of the ligand were optimized at the ab initio DFT level. Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra.

Synthesis of 2D polymeric dicyanamide bridged hexa-coordinated Cu(II) complex: Structural characterization, spectral studies and TDDFT calculation

Science.gov (United States)

Konar, Saugata; Saha, Urmila; Dolai, Malay; Chatterjee, Sudipta

2014-10-01

A rare 2D polymeric dicyanamide bridged hexa-coordinated copper(II) complex [Cu(L1‧)(μ1,5-dca)2]n (1) (L1‧ = 2-carboxypyrazine) has been synthesized from the reaction of Cu(NO3)2ṡ6H2O, 2-pyrazinecarbonitrile (L1) and sodium dicyanamide (Nadca) in methanolic medium. Single crystal X-ray analysis reveals that the complex has a 2D infinite zigzag chain structure in which copper(II) ions are bridged by single dicyanamide ligand in an end-to-end fashion. Such 2-carboxypyrazine can be obtained on the way of metal-assisted nitrile hydrolysis which well connected with Cu(NO3)2ṡ6H2O and dicyanamide (dca) to give rare 2D Cu(II) polymeric complex due to the flexibility in the coordination ability of the copper(II) ions within the polymeric chain. The geometry of the asymmetric unit of the complex was optimized in singlet state by DFT method with multilayer ONIOM model at doublet spin state accordance with repeating asymmetric unit only. The electronic spectrum of the complex is explained using TDDFT calculation.

Oxidation of a [Cu2S] complex by N2O and CO2: insights into a role of tetranuclearity in the CuZ site of nitrous oxide reductase.

Science.gov (United States)

Bagherzadeh, Sharareh; Mankad, Neal P

2018-01-25

Oxidation of a [Cu 2 (μ-S)] complex by N 2 O or CO 2 generated a [Cu 2 (μ-SO 4 )] product. In the presence of a sulfur trap, a [Cu 2 (μ-O)] species also formed from N 2 O. A [Cu 2 (μ-CS 3 )] species derived from CS 2 modeled initial reaction intermediates. These observations indicate that one role of tetranuclearity in the Cu Z catalytic site of nitrous oxide reductase is to protect the crucial S 2- ligand from oxidation.

Synthesis, structure and stability of a chiral imine-based Schiff-based ligand derived from L-glutamic acid and its [Cu4] complex

Science.gov (United States)

Muche, Simon; Levacheva, Irina; Samsonova, Olga; Biernasiuk, Anna; Malm, Anna; Lonsdale, Richard; Popiołek, Łukasz; Bakowsky, Udo; Hołyńska, Małgorzata

2017-01-01

Studies of the stability of a ligand derived from L-glutamic acid and ortho-vanillin and its new [Cu4] complex are presented. The [Cu4] complex contains a heterocubane [CuII4O4] core and pendant carboxylic groups increasing its solubility in water, also under basic conditions. The stability of the complex in different solvents is confirmed with ESI-MS studies and such experiments as successful recrystallization. The complex is stable also under physiological conditions whereas the ligand is partly decomposed to L-glutamic acid and ortho-vanillin.

Silica functionalized Cu(II) acetylacetonate Schiff base complex: An efficient catalyst for the oxidative condensation reaction of benzyl alcohol with amines

Science.gov (United States)

Anbarasu, G.; Malathy, M.; Karthikeyan, P.; Rajavel, R.

2017-09-01

Silica functionalized Cu(II) acetylacetonate Schiff base complex via the one pot reaction of silica functionalized 3-aminopropyltriethoxysilane with acetyl acetone and copper acetate has been reported. The synthesized material was well characterized by analytical techniques such as FT-IR, UV-DRS, XRD, SEM-EDX, HR-TEM, EPR, ICP-AES and BET analysis. The characterization results confirmed the grafting of Cu(II) Schiff base complex on the silica surface. The catalytic activity of synthesized silica functionalized Cu(II) acetylacetonate Schiff base complex was evaluated through the oxidative condensation reaction of benzyl alcohol to imine.

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African Journals Online (AJOL)

Items 101 - 150 of 533 ... Southern African Linguistics and Applied Language Studies. ... Issue, Title ... Vol 34, No 1 (2016), Book Review: Qualitative-Quantitative Analyses of .... The complex consonants of simple CV-syllables in Zezuru, Abstract.

A colorimetric and luminescent dual-modal assay for Cu(II ion detection using an iridium(III complex.

Directory of Open Access Journals (Sweden)

Dik-Lung Ma

Full Text Available A novel iridium(III complex-based chemosensor bearing the 5,6-bis(salicylideneimino-1,10-phenanthroline ligand receptor was developed, which exhibited a highly sensitive and selective color change from colorless to yellow and a visible turn-off luminescence response upon the addition of Cu(II ions. The interactions of this iridium(III complex with Cu2+ ions and thirteen other cations have been investigated by UV-Vis absorption titration, emission titration, and 1H NMR titration.

Cu(II) salen complex with propylene linkage: An efficient catalyst in the formation of Csbnd X bonds (X = N, O, S) and biological investigations

Science.gov (United States)

Azam, Mohammad; Dwivedi, Sourabh; Al-Resayes, Saud I.; Adil, S. F.; Islam, Mohammad Shahidul; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Lee, Dong-Ung

2017-02-01

The catalytic property of a mononuclear Cu(II) salen complex in Chan-Lam coupling reaction with phenyl boronic acid at room temperature is reported. The studied complex is found to be potential catalyst in the preparation of carbon-heteroatom bonds with excellent yields. The studied Cu(II) salen complex is monoclinic with cell parameters, a = 9.6807(5) (α 90°), (b = 17.2504(8) (β 112.429 (2), c = 11.1403 (6) (γ = 90°), and has distorted square planar environment around Cu(II) ion. Furthermore, there is no π⋯π interactions in the reported complex due to large distance between the centroid of aromatic rings. In addition, DNA binding study of Cu(II) salen complex by fluorescence and absorption spectroscopy is also reported. Moreover, the reported Cu(II) salen complex exhibits significant anticancer activity against MCF-7 cancer cell lines, and displays potential antimicrobial biofilm activity against P. aeruginosa, suggesting antimicrobial biofilm an important tool for suppression of resistant infections caused by P. aeruginosa.

Efficient Destruction of Pollutants in Water by a Dual-Reaction-Center Fenton-like Process over Carbon Nitride Compounds-Complexed Cu(II)-CuAlO2.

Science.gov (United States)

Lyu, Lai; Yan, Dengbiao; Yu, Guangfei; Cao, Wenrui; Hu, Chun

2018-04-03

Carbon nitride compounds (CN) complexed with the in-situ-produced Cu(II) on the surface of CuAlO 2 substrate (CN-Cu(II)-CuAlO 2 ) is prepared via a surface growth process for the first time and exhibits exceptionally high activity and efficiency for the degradation of the refractory pollutants in water through a Fenton-like process in a wide pH range. The reaction rate for bisphenol A removal is ∼25 times higher than that of the CuAlO 2 . According to the characterization, Cu(II) generation on the surface of CuAlO 2 during the surface growth process results in the marked decrease of the surface oxygen vacancies and the formation of the C-O-Cu bridges between CN and Cu(II)-CuAlO 2 in the catalyst. The electron paramagnetic resonance (EPR) analysis and density functional theory (DFT) calculations demonstrate that the dual reaction centers are produced around the Cu and C sites due to the cation-π interactions through the C-O-Cu bridges in CN-Cu(II)-CuAlO 2 . During the Fenton-like reactions, the electron-rich center around Cu is responsible for the efficient reduction of H 2 O 2 to • OH, and the electron-poor center around C captures electrons from H 2 O 2 or pollutants and diverts them to the electron-rich area via the C-O-Cu bridge. Thus, the catalyst exhibits excellent catalytic performance for the refractory pollutant degradation. This study can deepen our understanding on the enhanced Fenton reactivity for water purification through functionalizing with organic solid-phase ligands on the catalyst surface.

Cu(I)/Cu(II) mixed-valence surface complexes of S-[(2-hydroxyamino)-2-oxoethyl]-N,N-dibutyldithiocarbamate: Hydrophobic mechanism to malachite flotation.

Science.gov (United States)

Liu, Sheng; Zhong, Hong; Liu, Guangyi; Xu, Zhenghe

2018-02-15

Hydroxamate and sulfhydryl surfactants are effective collectors for flotation of copper minerals. The combination application of hydroxamate and sulfhydryl collectors has been proved to be an effective approach for improving the flotation recovery of non-sulfide copper minerals. A surfactant owing both hydroxamate and dithiocarbamate groups might exhibit strong affinity to non-sulfide copper minerals through double sites adsorption, rendering an enhanced hydrophobization to non-sulfide copper minerals flotation. The flotation performance of S-[(2-hydroxyamino)-2-oxoethyl]- N,N-dibutyldithiocarbamate (HABTC) to malachite, calcite and quartz were first evaluated through systematic micro-flotation experiments. HABTC's hydrophobic mechanism to malachite was further investigated and analyzed by zeta potential, Fourier transform infrared spectroscopy (FTIR), time-of-flight secondary ion mass spectrometry (ToF-SIMS) and X-ray photoelectron spectroscopy (XPS). The micro-flotation results demonstrated HABTC was an excellent collector for malachite flotation and exhibited favorable selectivity for flotation separation of malachite from quartz or calcite under pH 8.5-10.3. Zeta potential and FTIR implied that HABTC might bond with the surface copper atoms of malachite, with releasing the H + ions of its hydroxamate group into pulp. ToF-SIMS provided clear evidences that the Cu-hydroxamate and Cu-dithiocarbamate groups were formed on malachite surfaces after HABTC adsorption. XPS revealed that Cu(I)/Cu(II) mixed-valence surface complexes of HABTC anchored on malachite through formation of Cu(I)S and Cu(II)O bonds, accompanying with reduction of partial surface Cu(II) to Cu(I). The Cu(I)/Cu(II) mixed-valence double chelating character and "chair"-shape N,N-dibutyldithiocarbamate hydrophobic group, resulting in an enhanced affinity and hydrophobization of HABTC to malachite flotation. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

Cu(II) Complexes of Isoniazid Schiff Bases: DNA/BSA Binding and Cytotoxicity Studies on A549 Cell Line

OpenAIRE

Ramadevi, Pulipaka; Singh, Rinky; Prajapati, Akhilesh; Gupta, Sarita; Chakraborty, Debjani

2014-01-01

A series of isonicotinoyl hydrazones have been synthesized via template method and were complexed to Cu(II). The ligands are coordinated to Cu(II) ion through the enolic oxygen and azomethine nitrogen resulting in a square planar geometry. The CT-DNA and bovine serum albumin binding propensities of the compounds were determined spectrophotometrically, the results of which indicate good binding propensity of complexes to DNA and BSA with high binding constant values. Furthermore, the compounds...

A 3D complex containing novel 2D CuII-azido layers: Structure, magnetic properties and effects of “Non-innocent” reagent

International Nuclear Information System (INIS)

Gao, Xue-Miao; Guo, Qian; Zhao, Jiong-Peng; Liu, Fu-Chen

2012-01-01

A novel copper-azido coordination polymer, [Cu 2 (N 3 ) 3 (L)] n (1, HL=pyrazine-2-carboxylic acid), has been synthesized by hydrothermal reaction with “Non-innocent” reagent in the aqueous solution. In the reaction system, Cu II ions are avoided to reduce to Cu I ions due to the existence of Nd III . It is found that the complex is a 3D structure based on two double EO azido bridged trimmers and octahedron Cu II ions, in which the azide ligands take on EO and μ 1,1,3 mode to form Cu II -azido 2D layers, furthermore L ligands pillar 2D layers into an infinite 3D framework with the Schläfli symbol of {4;6 2 }4{4 2 ;6 12 ;8 10 ;10 4 }{4 2 ;6 4 }. Magnetic studies revealed that the interactions between the Cu II ions in the trimmer are ferromagnetic for the Cu–N–Cu angle nearly 98°, while the interactions between the trimmer and octahedron Cu II ion are antiferromgantic and result in an antiferromagnetic state. - Graphical abstract: A 3D complex containing novel 2D Cu II -azido layers, [Cu 2 (N 3 ) 3 (L)] n (HL=pyrazine-2-carboxylic acid), was synthesized by hydrothermal reaction and exhibit interesting structure and magnetic properties. Highlights: ► “Non-innocent” reagents plays a key role in the process of formation of this complex. ► 2D layer is formed only by Cu II ions and azido ligands. ► Pyrazine-2-carboxylate ligands reinforce 2D layers and pillar them into an infinite 3D framework. ► Magnetic study indicates that alternating FM–AF coupling exists in the complex.

Complexation of Cu2+, Ni2+ and UO22+ by radiolytic degradation products of bitumen

International Nuclear Information System (INIS)

Loon, L.R. Van; Kopajtic, Z.

1990-05-01

The radiolytic degradation of bitumen was studied under conditions which reflect those which will exist in the near field of a cementitious radioactive waste repository. The potential complexation capacity of the degradation products was studied and complexation experiments with Cu 2+ , Ni 2+ and UO 2 2+ were performed. In general 1:1 complexes with Cu 2+ , Ni 2+ and UO 2 2+ , with log K values of between 5.7 and 6.0 for Cu 2+ , 4.2 for Ni 2+ and 6.1 for UO 2 2+ , were produced at an ionic strength of 0.1 M. The composition of the bitumen water was analysed by GC-MS and IC. The major proportion of the bitumen degradation products in solution were monocarboxylic acids (acetic acid, formic acid, myric acid, stearic acid ...), dicarboxylic acids (oxalic acid, phthalic acid) and carbonates. The experimentally derived log K data are in good agreement with the literature and suggest that oxalate determines the speciation of Cu 2+ , Ni 2+ and UO 2 2+ in the bitumen water below pH=7. However, under the high pH conditions typical of the near field of a cementitious repository, competition with OH-ligands will be large and oxalate, therefore, will not play a significant role in the speciation of radionuclides. The main conclusion of the study is that the radiolytic degradation products of bitumen will have no influence on radionuclide speciation in a cementitious near field and, as such, need not to be considered in the appropriate safety assessment models. (author) 12 figs., 11 tabs., 31 refs

Synthesis, characterization, X-ray crystal structure and conductometry studying of a number of new Schiff base complexes; a new example of binuclear square pyramidal geometry of Cu(II) complex bridged with an oxo group

Science.gov (United States)

Golbedaghi, Reza; Alavipour, Ehsan

2015-11-01

Three new binuclear Cu(II), Mn(II), Co(II) complexes [Cu2(L) (ClO4)](ClO4)2 (1), [Mn2(L) (ClO4)](ClO4)2 (2), and [Co2(L) (ClO4)](ClO4)2 (3), {L = 1,3-bis(2-((Z)-(2-aminopropylimino)methyl)phenoxy)propan-2-ol} have been synthesized. Single crystal X-ray structure analysis of complex 1 showed that the complex is binuclear and all nitrogen and oxygen atoms of ligand (N4O3) are coordinated to two Cu(II) center ions. In addition, the crystal structure studying shows, a perchlorate ion has been bridged to the Cu(II) metal centers. However, two distorted square pyramidal Cu(II) ions are bridged asymmetrically by a perchlorate ion and oxygen of hydroxyl group of Schiff base ligand. In addition, the conductometry behaviors of all complexes were studied in acetonitrile solution.

Complex investigation of several silver-less brazed Be/CuCrZr joints

Energy Technology Data Exchange (ETDEWEB)

Komarov, A.; Gervash, A.; Komarov, V.; Mazul, I.; Litounovski, N. [Efremov Inst., St Petersburg (Russian Federation); Fedotov, V.; Sevrukov, O. [Moscow Physical Engineering Inst. (Russian Federation); Ganenko, A. [CRISM Prometey, St Petersburg (Russian Federation)

1998-07-01

One of the main problems for ITER divertor target technology is to provide a reliable joint between Be as armour material and copper alloy as heat-sink structure. Such joints should satisfy the different requirements. In particular, these joints should successfully withstand cyclic heat fluxes and should have good properties under neutron irradiation. To study such complex of problems several investigation stages were planned in Russia. This paper presents the results of complex investigation of several silver-less brazed Be/CuCrZr joint candidates. (author)

Complex investigation of several silver-less brazed Be/CuCrZr joints

International Nuclear Information System (INIS)

Komarov, A.; Gervash, A.; Komarov, V.; Mazul, I.; Litounovski, N.; Fedotov, V.; Sevrukov, O.; Ganenko, A.

1998-01-01

One of the main problems for ITER divertor target technology is to provide a reliable joint between Be as armour material and copper alloy as heat-sink structure. Such joints should satisfy the different requirements. In particular, these joints should successfully withstand cyclic heat fluxes and should have good properties under neutron irradiation. To study such complex of problems several investigation stages were planned in Russia. This paper presents the results of complex investigation of several silver-less brazed Be/CuCrZr joint candidates. (author)

Inclusion complex formation of ternary system: Fluoroscein-p-sulfonato calix[4]arene-Cu(2+) by cooperative binding.

Science.gov (United States)

Gawhale, Sharadchandra; Jadhav, Ankita; Rathod, Nilesh; Malkhede, Dipalee; Chaudhari, Gajanan

2015-09-05

The aqueous solution of fluorescein-para sulfonato calix[4]arene-metal ion complex has been studied based on absorption, fluorescence, (1)H NMR and FTIR spectroscopic results. It was found that the fluorescence intensity quenched regularly upon addition of pSCX4 and metal ion. The quenching constants and binding constants were determined for pSCX4-FL and pSCX4-FL-Cu(2+) systems. 1:1 stoichiometry is obtained for pSCX4-Cu(2+) system by continuous variation method. The NMR and IR results indicates the interaction among FL, pSCX4 and Cu(2+). The combined results demonstrate the cooperative binding to design the complex for ternary system. The life time for binary and ternary system has been studied. Copyright © 2015 Elsevier B.V. All rights reserved.

A dinuclear copper complex: bis(μ-4-aminobenzoatobis[aqua(1,10-phenanthrolinecopper(II] dichloride bis(4-aminobenzoic acid dihydrate

Directory of Open Access Journals (Sweden)

Miao-Ling Huang

2008-08-01

Full Text Available The title complex, [Cu2(C7H6NO22(C12H8N22(H2O2]·2C7H7NO2·2H2O, consists of a dinuclear [Cu2(C7H6NO22(C12H8N22(H2O2]2+ cation, two Cl− anions, two 4-aminobenzoic acid molecules and two disordered water molecules (site occupancy factors 0.5. The Cu(II ion adopts a distorted square-pyramidal geometry formed by two N atoms from the 1,10-phenanthroline ligand and two O atoms of the two 4-aminobenzoic acid ligands and one water O atom. The Cu...Cu separation is 3.109 (2 Å. A twofold axis passes through the mid-point of the Cu...Cu vector.

New complexes of Co(II, Ni(II, Cu(II with Schiff base N,N’-bis-(3-methoxy-saliciliden-3,3’-dimethylbenzidine

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Alan Ionela

2013-01-01

Full Text Available The new N,N’-bis-(3-methoxy-saliciliden-3,3’-dimetilbenzidine (H2L Schiff base and complexes with Co(II, Ni(II and Cu(II of type [M(HLCl(H2O] (M=Co(II, Cu(II [M2L(H2O4]X2 (M=Co(II, X=ClO4 and M=Cu(II, X=NO3 and [M2L(CH3COO2] (M=Co(II, Ni(II, Cu(II were synthesised. The ligand and complexes were characterized by elemental analysis, conductibility measurements, magnetic moments at room temperature, IR, NMR, UV-VIS-NIR, EPR spectra and thermogravimetric analysis. A molar ratio of 1:1 or 1:2 between ligand and metal was determined from the elemental analysis. Except for perchlorate complex that behave as electrolyte, the rest of complexes are non-electrolytes. The spectral data suggest a tetrahedral, pseudo-tetrahedral or square-planar stereochemistry respectively, data confirmed by magnetic behaviour of complexes. The antimicrobial tests indicate a fungicide effect both for ligand and complexes.

Mechanochemically assisted solid-state and citric acid complex syntheses of Cu-doped sodium cobaltite ceramics

International Nuclear Information System (INIS)

Pršić, S.; Savić, S.M.; Branković, Z.; Vrtnik, S.; Dapčević, A.; Branković, G.

2015-01-01

Highlights: • Sodium cobaltite was synthesized by mechanochemically assisted solid-state reaction and citric acid complex (CAC) method. • We investigated effect of Cu-doping in NaCo 2−x Cu x O 4 (x = 0, 0.01, 0.03, 0.05). • ICP analysis showed that the controlling of the samples composition is easier by the CAC method. • The Seebeck coefficient in Cu-doped samples was higher compared to the undoped one. • The highest figure of merit was observed in the sample with the lowest Cu concentration. - Abstract: In the last decade, the sodium cobaltite ceramic became a promising candidate for potential thermoelectric applications, because of its large thermopower and low resistivity. In this work, polycrystalline samples of NaCo 2−x Cu x O 4 (x = 0, 0.01, 0.03, 0.05) were prepared using mechanochemically assisted solid-state reaction method (MASSR) and the citric acid complex method (CAC). Bulk samples were prepared by pressing into disc-shaped pellets and subsequently subjected to a thermal treatment at 880 °C in inert argon atmosphere. Changes in structural and microstructural characteristics of the samples, caused by the substitution of Cu for Co, were characterized using X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM), respectively. The results of inductively coupled plasma (ICP) analysis showed that the compositions of the final products correspond to γ-NaCo 2 O 4 and confirmed that desired compound was obtained in both syntheses procedures. The advantages and disadvantages of these two syntheses procedures have been observed and discussed: the CAC method enabled obtaining samples with higher density and fine microstructure compared to the MASSR method, thus better thermoelectric properties. The Cu 2+ substitution led to the increase in Seebeck coefficient in both synthesis routes. The highest figure of merit of 0.022 at 300 K was observed for the sample doped with 1 mol% Cu, obtained by the CAC method, and it was almost twice

Mechanochemically assisted solid-state and citric acid complex syntheses of Cu-doped sodium cobaltite ceramics

Energy Technology Data Exchange (ETDEWEB)

Pršić, S., E-mail: sanjaprsic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Savić, S.M., E-mail: slavicas@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Branković, Z., E-mail: zorica.brankovic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Vrtnik, S., E-mail: stane.vrtnik@ijs.si [Institute Jožef Stefan, Condensed Matter Physics, Jamova cesta 39, 1000 Ljubljana (Slovenia); Dapčević, A., E-mail: hadzi-tonic@tmf.bg.ac.rs [Department of General and Inorganic Chemistry, Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Branković, G., E-mail: goran.brankovic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia)

2015-08-15

Highlights: • Sodium cobaltite was synthesized by mechanochemically assisted solid-state reaction and citric acid complex (CAC) method. • We investigated effect of Cu-doping in NaCo{sub 2−x}Cu{sub x}O{sub 4} (x = 0, 0.01, 0.03, 0.05). • ICP analysis showed that the controlling of the samples composition is easier by the CAC method. • The Seebeck coefficient in Cu-doped samples was higher compared to the undoped one. • The highest figure of merit was observed in the sample with the lowest Cu concentration. - Abstract: In the last decade, the sodium cobaltite ceramic became a promising candidate for potential thermoelectric applications, because of its large thermopower and low resistivity. In this work, polycrystalline samples of NaCo{sub 2−x}Cu{sub x}O{sub 4} (x = 0, 0.01, 0.03, 0.05) were prepared using mechanochemically assisted solid-state reaction method (MASSR) and the citric acid complex method (CAC). Bulk samples were prepared by pressing into disc-shaped pellets and subsequently subjected to a thermal treatment at 880 °C in inert argon atmosphere. Changes in structural and microstructural characteristics of the samples, caused by the substitution of Cu for Co, were characterized using X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM), respectively. The results of inductively coupled plasma (ICP) analysis showed that the compositions of the final products correspond to γ-NaCo{sub 2}O{sub 4} and confirmed that desired compound was obtained in both syntheses procedures. The advantages and disadvantages of these two syntheses procedures have been observed and discussed: the CAC method enabled obtaining samples with higher density and fine microstructure compared to the MASSR method, thus better thermoelectric properties. The Cu{sup 2+} substitution led to the increase in Seebeck coefficient in both synthesis routes. The highest figure of merit of 0.022 at 300 K was observed for the sample doped with 1 mol% Cu, obtained by

Synthesis and magnetism of μ-oxamido-bridged Cu2IILnIII - type heterotrinuclear complexes (Ln = Ce, Nd, Sm, Eu, Gd, Tb, Dy, Er)

International Nuclear Information System (INIS)

Li, Y.T.; Yan, C.W.

2001-01-01

Eight new Cu 2 II Ln III - type (Ln = Ce, Nd, Sm, Eu, Gd, Tb, Dy, Er) heterotrinuclear complexes bridged by N,N'-bis (2-aminopropyl)oxamidocopper(II) [Cu(oxdn)], namely Cu 2 (oxdn)Ln(NO 3 ) 3 , have been synthesized and characterized by elemental analyses, molar conductivity measurements and spectroscopic (IR, UV, ESR) studies. Magnetic susceptibility measurements (4.2 ∼300 K) and studies of Cu 2 (oxdn)Gd(NO 3 ) 3 complex have revealed that the central gadolinium(III) and terminal copper(II) ions are ferromagnetically coupled with the exchange integral J (Cu-Gd) = +2.98 cm -1 , while an antiferromagnetic coupling is detected between the terminal copper(II) metal ions with the exchange integral J' (Cu-Gd) = -0.75 cm -1 , on the basis of the spin Hamiltonian operator [H -2J(S Cu1 -S Gd +S Cu2 +S Gd )-2J'(S Cu1 S Cu2 )]. (author)

Spectro Analytical, Computational and In Vitro Biological Studies of Novel Substituted Quinolone Hydrazone and it's Metal Complexes.

Science.gov (United States)

Nagula, Narsimha; Kunche, Sudeepa; Jaheer, Mohmed; Mudavath, Ravi; Sivan, Sreekanth; Ch, Sarala Devi

2018-01-01

Some novel transition metal [Cu (II), Ni (II) and Co (II)] complexes of nalidixic acid hydrazone have been prepared and characterized by employing spectro-analytical techniques viz: elemental analysis, 1 H-NMR, Mass, UV-Vis, IR, TGA-DTA, SEM-EDX, ESR and Spectrophotometry studies. The HyperChem 7.5 software was used for geometry optimization of title compound in its molecular and ionic forms. Quantum mechanical parameters, contour maps of highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) and corresponding binding energy values were computed using semi empirical single point PM3 method. The stoichiometric equilibrium studies of metal complexes carried out spectrophotometrically using Job's continuous variation and mole ratio methods inferred formation of 1:2 (ML 2 ) metal complexes in respective systems. The title compound and its metal complexes screened for antibacterial and antifungal properties, exemplified improved activity in metal complexes. The studies of nuclease activity for the cleavage of CT- DNA and MTT assay for in vitro cytotoxic properties involving metal complexes exhibited high activity. In addition, the DNA binding properties of Cu (II), Ni (II) and Co (II) complexes investigated by electronic absorption and fluorescence measurements revealed their good binding ability and commended agreement of K b values obtained from both the techniques. Molecular docking studies were also performed to find the binding affinity of synthesized compounds with DNA (PDB ID: 1N37) and "Thymidine phosphorylase from E.coli" (PDB ID: 4EAF) protein targets.

Porphyry Cu-Au mineralization in the Mirkuh Ali Mirza magmatic complex, NW Iran

Science.gov (United States)

Maghsoudi, A.; Yazdi, M.; Mehrpartou, M.; Vosoughi, M.; Younesi, S.

2014-01-01

The Mirkuh Ali Mirza Cu-Au porphyry system in East Azerbaijan Province is located on the western part of the Cenozoic Alborz-Azerbaijan volcanic belt. The belt is also an important Cu-Mo-Au metallogenic province in northwestern Iran. The exposed rocks in the study area consist of a volcaniclastic sequence, subvolcanic rocks and intermediate to mafic lava flows of Neogene age. The volcanic rocks show a typical subduction-related magmatic arc geological and geochemical signature, with low concentration of Nb, Ta, and Ti. Mineralization is hosted by Neogene dacitic tuff and porphyritic dacite situated at the intersections of northeast and northwest faults. Field observations, alteration zonation, geochemical haloes and isotopic data of the Mirkuh Ali Mirza magmatic complex show similarities with typical convergent margin Cu-Au porphyry type deposits. The following features confirm the classic model for Cu-Au porphyry systems: (a) close spatial association with high-K calcalkaline to shoshonitic rock related to post-collision extensional setting (b) low grade Cu (0.57%) (c) stockworks as well as disseminated sulfides (c) zonality of the alteration patterns from intense phyllic at the center to outward weak-phyllic, argillic, and propylitic (d) the presence of a pyritic halo (e) accompanied by sheeted veins and low-sulfidation epithermal gold (f) mineralization spatially associated with intersection of structures, (g) genetically related to diorite porphyry stocks at depth (h) geochemical zonation of (Cu ± Au ± Ag ± Bi) → (Cu + Mo ± Bi ± Au ± Pb ± Zn ± As) → (Au + Mo ± Pb ± Zn) → (As + Ag + Sb + Mn + Ba + Pb + Zn + Hg) → Hg from center to outwards (i) The range of sulfur isotopic values is approximately zero (interpreted to have magmatic source) and similar to other subduction-related porphyry Cu deposits.

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.

Complexes of Cu(II), Ni(II), Co(II), oxovanadium(IV) and dioxouranium(VI) with N,N'-ethylenebis (2-hydroxy-4-methylpropiophenoneimine)

International Nuclear Information System (INIS)

Patel, M.M.; Patel, M.R.; Patel, M.N.; Patel, R.P.

1982-01-01

Complexes of Cu(II), Ni(II), Co(II), oxovanadium(IV) and dioxouranium(VI) with the schiff base, N,N'-ethylenebis(2-hydroxy-4-methylpropiophenoneimine)(4-MeOHPEN), have been synthesised and characterised on the basis of elemental analyses, conductivity, magnetic moment, electronic and infrared spectral data. Square-planar structures are suggested for Cu(II), Ni(II) and Co(II) complexes while a distorted square-pyramidal structure is suggested for the oxovanadium(IV) complex. (author)

Copper interactions in TlCu7S4 and TlCu7Se4

International Nuclear Information System (INIS)

Noren, L.; Delaplane, R.G.; Berger, R.

1999-01-01

Complete text of publication follows. The copper chalcogenides ACu 7 S 4 (A=NH 4 + , Tl + , Rb + ) are quasi-one-dimensional metals at ambient and higher temperatures which is due to the high mobility of copper in these structures. TlCu 7 S 4 and TlCu 7 Se 4 are isostructural compounds, space group I4/m, which can be described on the basis of a TlX 8 cube with two different Cu sites, Cu(1) and Cu(2). Cu(2)-Cu(2) zigzag chains run along the c axis with only 3/4 occupation of the Cu(2) sites. However, these two compounds differ in behaviour on cooling. The sulphide shows a polymorphic first-order transition to the CsAg 7 S 4 type (P4/n) owing to ordering of the vacancies in the Cu(2)-Cu(2) chains. In order to study the nature of the Cu(2) order/disorder in the two title compounds, a series of neutron diffraction measurements (both Bragg and diffuse scattering) were made at several temperatures from 40 to 713 K on the instrument SLAD at Studsvik. The structure at each temperature was modelled using RMC techniques. The resulting configuration show that as the temperature increases, there is a marked increase in the mobility of the Cu atoms in the Cu(2)-Cu(2) chains for TlCu 7 S 4 but not for TlCu 7 Se 4 . This is due to the initial difference in the Cu(2)-Cu(2) distances, only 2.2A for the thiocuprate, but 2.7A in the selenocuprate which explains the relative ease for Cu(2) ordering in the latter case. (author)

Complexometric determination: Part I - EDTA and complex formation with the Cu2+ ion

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Rajković Miloš B.

2002-01-01

Full Text Available Compounds forming very stable complexes - chelates, have a wide field of application in analytical chemistry. The most famous group of these compounds are complexons. Complexons represent organic polyaminocarbonic acids as for example ethylenediaminetetraacetic acid (EDTA and its salts. The EDTA molecule has six coordinative sites. It is a hexadentate ligands i.e. it has two binding nitrogen atoms and four oxygen atoms from carboxyl groups and it forms complexes with almost all metal ions. EDTA as a tetraprotonic acid, H4Y disociates through four steps, yielding the ions HsY-, H2Y2-, HY3- and Y4-. Which of the EDTA forms will be encountered in a solution, depends on the pH. Due to the poor solubility of EDTA in pure water, as well as in most organic solvents, the disodium salt of EDTA Na2H2Y-2H2O, under the commercial name complexon III, is utilized for analytical determinations. In water, EDTA forms soluble, stabile chelate complexes with all cations, at the molar ratio 1:1, regardless of the charge of the metal ion. In contrast to other equilibria, which are mainly defined by Le Chatellier's principle, equilibria related to metal-EDTA complex formation are also dependent on the influence of the secondary equilibria of EDTA complex formation. Complexing reactions, which are equilibrium reactions, are simultaneously influenced by the following factors: solution pH and the presence of complexing agents which may also form a stabile complex with metal ions. The secondary reaction influence may be viewed and monitored through conditional stability constants. In the first part of the paper, the reaction of the formation of the Cu2+-ion complex with EDTA is analyzed beginning from the main reaction through various influences of secondary reactions on the complex Cu2+-EDTA: pH effect, complexation effect and hydrolysis effect. The equations are given for conditional stability constants, which include equilibrium reactions under actual conditions.

Investigation of formation constant of complex of a new synthesized tripodal ligand with Cu2+ using rank annihilation factor analysis in surfactant media

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R. Golbedaghi

2014-01-01

Full Text Available The complex formation between a newly synthesized tripodal ligand and the cation Cu2+ in water and surfactant media was studied spectrophotometrically using rank annihilation factor analysis (RAFA. According to molar ratio data the stoichiometry of complexation between the ligand and the cation Cu2+ was 1:1. Formation constant of this complex was derived using RAFA on spectrophotometric data. The performance of the method has been evaluated by using synthetic data. Also concentration and spectral profiles of ligand and complex can be obtained by using the stability constant and appropriate equations. The effect of surfactants such as sodium dodecyl sulfate (SDS, cetyltrimethylammonium bromide (CTAB and Triton X-100 on complex formation constant of Cu2+ with the ligand was investigated.

Copper(II hydrogenphosphate, CuHPO4

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Dörte Stachel

2009-12-01

Full Text Available The title compound, CuHPO4, has been synthesized from a mixture of phosphoric acid and copper oxide. It has the same composition as MHPO4 (M = Ca, Ba, Pb, Sr or Sn, but adopts a rhombohedral structure with all atoms on general positions. The structure features distorted PO4 tetrahedra linked by copper, forming 12-membered rings. The CuII atom is coordinated by five O atoms in a distorted square-pyramidal manner. O—H...O hydrogen bonding leads to an additional stabilization of the structure.

The Formation of Metal (M=Co(II), Ni(II), and Cu(II)) Complexes by Aminosilanes Immobilized within Mesoporous Molecular Sieves

International Nuclear Information System (INIS)

Park, Dong Ho; Park, Sung Soo; Choe, Sang Joon

1999-01-01

The immobilization of APTMS(3-(2-aminoethylamino)propyltrimethoxysilane) and AAPTMS(3-(2-(2-aminoethyl) aminoethylamino)propyltrimethoxysilane) on the surface of high quality mesoporous molecular sieves MCM-41 and MCM-48 have been confirmed by F.T.-IR spectroscopy, Raman spectroscopy, 29 Si solid state NMR, and a surface polarity measurement using Reichardt's dye. The formation of metal (Co(II), Ni(II), and Cu(II)) complexes by immobilized aminosilanes have been investigated by photoacoustic spectroscopy(PAS). The assignment of UV-Vis. PAS bands makes it possible to identify the structure of metal complexes within mesoporous molecular sieves. Co(II) ion may be coordinated mainly in a tetrahedral symmetry by two APTMS onto MCM-41, and in an octahedral one by two AAPTMS. Both Ni(II) and Cu(II) coordinated by aminosilanes within MCM-41 form possibly the octahedral complexes such as [Ni(APTMS) 2 (H 2 O) 2 ] 2+ , [Ni(AAPTMS) 2 ] 2+ , [Cu(APTMS) 2 (H 2 O) 2 ] 2+ , and [Cu(AAPTMS)(H 2 O) 3 ] 2+ , respectively. The PAS band shapes of complexes onto MCM-48 are similar to those of corresponding MCM-41 with the variation of PAS intensity. Most of metal ion(II) within MCM-41 and MCM-48 are coordinated by aminosilanes without the impregnation on the surface

Influence of ionic strength and OH(-) ion concentration on the Cu(II) complex formation with EDTA in alkaline solutions.

Science.gov (United States)

Norkus, E; Vaskelis, A; Zakaite, I

1996-03-01

D.c. polarographic data show that the complex formation of copper ions with EDTA depends markedly on the ionic strength of the solution at pH 8-10. This is primarily associated with the dependence of the fourth deprotonization constant of EDTA on the solution ionic strength: when it increases from 0.4 to 3.4, the pK(a4) value decreases from 9.5 to 8.2. According to polarographic and spectrophotometric data the degree of Cu(II) complexation increases at pH>10 due to transformation of the complex CuY(2-) to the more stable CuY(OH)(3-) (Y(4-), a fully deprotonized anion of EDTA), but it decreases with increase in alkalinity in a highly alkaline solution (pH>13.5). The latter result could be explained by the decrease in the EDTA anion activity. The calculated values of the activity coefficient are lower than 0.05 at pH>14.

Antibacterial, antimalarial and leishmanicidal activities of Cu (II) and nickel (II) complexes of diclofenac sodium

International Nuclear Information System (INIS)

Rehman, F.U.; Khan, M.F.; Khan, G.M.; Khan, H.; Khan, I.U.

2010-01-01

Metal complexes are famous for a wide array of chemotherapeutic effects. The current study was designed to synthesize and evaluate unexplored chemotherapeutic effects of Cu (II) and Nickel (II) complexes of the non-steroidal anti-inflammatory drug diclofenac. Nickel complex exhibited significant leishmanicidal activity against Lieshmania major, while the copper complex was found to possess low activity against the same pathogen. Both of the complexes revealed low antibacterial activities and were interestingly failed to produce any considerable antimalarial activity against Plasmodium falciparum 3D7. Selective leishmanicidal activities of Nickel (II) complex of diclofenac needs further improvement to be developed as potential new metal-based leishmanicidal agent.(author)

Antibacterial, antimalarial and leishmanicidal activities of Cu (II) and nickel (II) complexes of diclofenac sodium

Energy Technology Data Exchange (ETDEWEB)

Rehman, F U; Khan, M F; Khan, G M; Khan, H [Gomal University, D.I. Khan (Pakistan). Dept. of Faculty of Pharmacy; Khan, I U [University of Peshawar (Pakistan). Dept. of Faculty of Pharmacy

2010-08-15

Metal complexes are famous for a wide array of chemotherapeutic effects. The current study was designed to synthesize and evaluate unexplored chemotherapeutic effects of Cu (II) and Nickel (II) complexes of the non-steroidal anti-inflammatory drug diclofenac. Nickel complex exhibited significant leishmanicidal activity against Lieshmania major, while the copper complex was found to possess low activity against the same pathogen. Both of the complexes revealed low antibacterial activities and were interestingly failed to produce any considerable antimalarial activity against Plasmodium falciparum 3D7. Selective leishmanicidal activities of Nickel (II) complex of diclofenac needs further improvement to be developed as potential new metal-based leishmanicidal agent.(author)

Sulfite induced autoxidation of Cu(II/tetra/ penta and hexaglycine complexes: spectrophotometric and rotating-ring-disk glassy carbon electrode studies and analytical potentialities

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Alipázaga Maria V.

2003-01-01

Full Text Available The oxidation of Cu(II complexes with tetra, penta and hexaglycine in borate buffer aqueous solution, by dissolved oxygen is strongly accelerated by sulfite. The formation of Cu(III complexes with maximum absorbances at 250 nm (e = 9000 mol-1 L cm-1 and 365 nm (e = 7120 mol-1 L cm-1 was also characterized by using rotating ring-disk voltammetry, whose anodic and cathodic components were observed in voltammograms recorded in solutions containing Cu(II. Voltammograms, obtained at various rotation speeds, showed that the Cu(III species electrochemically generated is not stable over the entire time window of the experiment and in solutions containing tetraglycine the overall limiting current is controlled by the kinetics of an equilibrium involving Cu(II species.The calculated first order rate constant of the decomposition was 4.37x10-3 s-1. Electrochemical experiments carried out in Cu(II solutions after the addition of relatively small amounts of sulfite demonstrated that the Cu(III species formed in the chemical reaction is the same as the one collected at the ring electrode when Cu(II is oxidized at the disk electrode in ring-disk voltammetry. The concentration of Cu(III complexes is proportional to the amount of added sulfite and the results indicated that indirect analytical methods for sulfite may be developed by means of spectrophotometric or amperometric detection of the chemically generated product.

Constant Electric and Magnetic Fields Effect on the Structuring and Thermomechanical and Thermophysical Properties of Nanocomposites Formed from Pectin-Cu(2+)-Polyethyleneimine Interpolyelectrolyte-Metal Complexes.

Science.gov (United States)

Demchenko, V; Shtompel', V; Riabov, S; Lysenkov, E

2015-12-01

Applying wide-angle X-ray scattering method, thermomechanical analysis, and differential scanning calorimetry, the structural organization and properties of nanocomposites formed by chemical reduction of Сu(2+) cations in the interpolyelectrolyte-metal complex (pectin-Cu(2+)-polyethyleneimine) under the influence of a constant magnetic and electric fields have been studied. It has been found that the chemical reduction of Cu(2+) cations in the interpolyelectrolyte-metal complex bulk under constant electric and magnetic fields leads to formation of nanocomposite consisting of interpolyelectrolyte complex, including pectin-polyethyleneimine and nanoparticles of the metal Cu phase, whereas nanocomposite with Cu/Cu2O nanoparticles is formed in original state (without any field). It was observed that, under constant field, nanocomposites obtained have higher structural glass-transition temperatures and thermal stability.

Hydrophilic olive cake extracts: Characterization by physicochemical properties and Cu(II) complexation

International Nuclear Information System (INIS)

Kolokassidou, K.; Szymczak, W.; Wolf, M.; Obermeier, C.; Buckau, G.; Pashalidis, I.

2009-01-01

Disposed olive cake generates hydrophilic components that can be mobilized in the aquatic environment. This paper deals with the characterization of such components, isolated by alkaline extraction. It is shown that these substances possess properties very much resembling humic acid, including a substantial inventory of proton exchanging groups. Extraction and purification of the hydrophilic components from the disposed olive cake was performed by the standard approach for isolation of humic acids from solid sources, i.e. alternating alkaline dissolution and acid flocculation, leaving the purified extract in the protonated form. The purified sample was characterized by Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), Fourier Transform Infra Red Spectroscopy (FTIR), UV-vis, Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS) and Asymmetrical Flow Field-Flow Fractionation (AFFFF). The complex formation properties were investigated by potentiometry using Cu(II) ion selective electrode under atmospheric conditions at I = 0.1 M NaClO 4 (aqueous solution) and pH 6. The formation constant for the CuHA complex is found to be log β = 5.3 ± 0.4 which is close to the corresponding value (log β = 5.2 ± 0.4) obtained from similar investigations with the commercially available Aldrich humic acid (this study) and corresponding published values for various humic acids. Both, structural properties and complex formation data show that the olive cake extract has considerable similarities with humic acids from different sources, pointing towards potential similarities in environmental behavior and impact.

Coordination Behavior of Ni2+, Cu2+, and Zn2+ in Tetrahedral 1-Methylimidazole Complexes: A DFT/CSD Study

OpenAIRE

Tetteh, Samuel

2018-01-01

The interaction between nickel (Ni2+), copper (Cu2+), and zinc (Zn2+) ions and 1-methylimidazole has been studied by exploring the geometries of eleven crystal structures in the Cambridge Structural Database (CSD). The coordination behavior of the respective ions was further investigated by means of density functional theory (DFT) methods. The gas-phase complexes were fully optimized using B3LYP/GENECP functionals with 6-31G∗ and LANL2DZ basis sets. The Ni2+ and Cu2+ complexes show distorted ...

Spectrophotometric Determination of Metoprolol Tartrate in Pharmaceutical Dosage Forms on Complex Formation with Cu(II

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Mustafa Cesme

2011-06-01

Full Text Available A new, simple, sensitive and accurate spectrophotometric method has been developed for the assay of metoprolol tartrate (MPT, which is based on the complexation of drug with copper(II [Cu(II] at pH 6.0, using Britton-Robinson buffer solution, to produce a blue adduct. The latter has a maximum absorbance at 675 nm and obeys Beer’s law within the concentration range 8.5-70 mg/mL. Regression analysis of the calibration data showed a good correlation coefficient (r = 0.998 with a limit of detection of 5.56 mg/mL. The proposed procedure has been successfully applied to the determination of this drug in its tablets. In addition, the spectral data and stability constant for the binuclear copper(II complex of MPT (Cu2MPT2Cl2 have been reported.

Spectroscopic study of divalent copper complexes forming in the systems CuCl2-MCl (M= Na, K, Rb, Cs)

International Nuclear Information System (INIS)

Utorov, N.P.; Bakshi, Yu.M.; Bazov, V.P.; Gel'bshtejn, A.I.

1982-01-01

The structure of complex ions formed in salt systems CuCl 2 -MCl depending on the nature of cation of alkali metal chloride at different mole ratios (n=MCl/CuCl 2 ) is studied. The data obtained using the methods of oscillation and electron spectroscopy enable to consider that during the melting of CuCl 2 and CsCl at n 4 2- ions, have the symmetry Csub(2v) at n=1. π-bonding, which is realized with participation of of Cl - p-orbitals and Cu 2+ d-orbitals plays a very important role in the formation of dimers and polymer chains. π-conjugated systems are characterized by the spectrum of charge transfer in the visible region. Charge transfer promotes metal reduction in the excited state which is adequate to the change of electron configuration of copper from d 9 for d 10 . It results in the decrease of acceptor and increase of dative ability of copper cation in the composition of salt complex. Big (n >= 2) additions of CsCl lead to the formation of separate stable ions of CuCl 4 2- type with the symmetry Dsub(2d)

Spectrophotometric analysis of vitamin E using Cu(I)-Bathocuproine or/and Fe(II)-2,4,6-tris-(2'-pyridyl)-s-triazine complexes

International Nuclear Information System (INIS)

Devi, I.; Memon, S. A.; Khuhawar, M.Y.

2004-01-01

Vitamin E (tocopherols and tocotrienols) antioxidants are determined by reducing Cu(II) to Cu(I) or Fe(III) to Fe(II) in presence of vitamin E and subsequent complexation of Cu(I) with bathocuproine and/or Fe(II) with 2,4,6-tris-(2'-pyridyl)-s-triazine (TPTZ). Both the reactions are monitored separately, Cu(I)-bathocuproine at 479 nm where as, Fe(II)-(TPTZ) at 595 nm spectrophotometrically. Linear calibration curves are achieved for both complexes between I to 5mu g ml-1 for vitamin E. The methods were applied for the determination of vitamin E in pharmaceutical preparations and edible oils. Vitamin E, from edible oils, was solvent extracted into n-hexane prior to saponification. Furthermore, a single lined flow was also examined. A larger excess of Cu(II) or Fe =(II) with different concentrations of vitamin E in buffer pH 4 was run on the line and constant amounts of reagent bathocuproine or TPTZ in each case was injected through the injector. The peak height shows a linear relationship for vitamin E between 0.5 to 2.5 mu g ml-1 for both complexes. (author)

Binuclear Copper(I Borohydride Complex Containing Bridging Bis(diphenylphosphino Methane Ligands: Polymorphic Structures of [(µ2-dppm2Cu2(η2-BH42] Dichloromethane Solvate

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Natalia V. Belkova

2017-10-01

Full Text Available Bis(diphenylphosphinomethane copper(I tetrahydroborate was synthesized by ligands exchange in bis(triphenylphosphine copper(I tetrahydroborate, and characterized by XRD, FTIR, NMR spectroscopy. According to XRD the title compound has dimeric structure, [(μ2-dppm2Cu2(η2-BH42], and crystallizes as CH2Cl2 solvate in two polymorphic forms (orthorhombic, 1, and monoclinic, 2 The details of molecular geometry and the crystal-packing pattern in polymorphs were studied. The rare Twisted Boat-Boat conformation of the core Cu2P4C2 cycle in 1 is found being more stable than Boat-Boat conformation in 2.

Grafting of [(64)Cu]-TPPF20 porphyrin complex on Functionalized nano-porous MCM-41 silica as a potential cancer imaging agent.

Science.gov (United States)

Fazaeli, Yousef; Feizi, Shahzad; Jalilian, Amir R; Hejrani, Ali

2016-06-01

Mesoporous silica, MCM-41, functionalized with 3-aminopropyltriethoxysilane (APTES) was investigated as a potential drug delivery system, using [(64)Cu]-5, 10, 15, 20-tetrakis penta fluorophenyl porphyrin complex. [(64)Cu]-TPPF20 complex was grafted on functionalized MCM-41. The product was characterized by paper chromatography, FTIR spectroscopy, low angle X-ray diffraction, CHN and TGA/DTA analyses and atomic force microscopy. The biological evaluations of the grafted complex, [(64)Cu]-TPPF20@NH2-MCM-41, were done in Fibrosarcoma tumor-bearing Sprague-Dawley rats using scarification studies and Sopha DST-XL Dual-Head SPECT system. The actual loading amount of aminopropyl groups was found about 1.6mmol per gram of final silica. The specific activity of the final compound was found to be 3Ci/g. Amine functionalized MCM-41 was found to be a good platform for theranostic radiopharmaceuticals such as copper-64 complexes. Considering the accumulation of the tracer in tumor cells, fast wash-out from normal tissues, the short half-life copper-64 and less imposed radiation doses to patients, [(64)Cu]-TPPF20@NH2-MCM-41 can potentially be a suitable candidate for tumor imaging applications and future PET studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

Crystal structure of the mixed-metal trisulfide BaCu1/3Ta2/3S3

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Kejun Bu

2017-05-01

Full Text Available The mixed-metal title compound, BaCu1/3Ta2/3S3 [barium copper(II tantalum(V trisulfide], was prepared through solid-state reactions. The crystal structure adopts the BaTaS3 structure type and consists of face-sharing [MS6] (M = Ta,Cu octahedra (point-group symmetry -3m. that are condensed into infinite chains along [001]. Adjacent chains are linked through the barium cations (site symmetry -6m2, which exhibit a coordination number of twelve. The M site is occupied by 2/3 of TaV and 1/3 of CuII, whereby the average M—S distances are slightly longer than those of ordered BaTaS3. The classical charge balance of the title compound can be represented by [Ba2+] [(Ta/Cu4+] [S2−]3.

Cu(II Complexes of Isoniazid Schiff Bases: DNA/BSA Binding and Cytotoxicity Studies on A549 Cell Line

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Pulipaka Ramadevi

2014-01-01

Full Text Available A series of isonicotinoyl hydrazones have been synthesized via template method and were complexed to Cu(II. The ligands are coordinated to Cu(II ion through the enolic oxygen and azomethine nitrogen resulting in a square planar geometry. The CT-DNA and bovine serum albumin binding propensities of the compounds were determined spectrophotometrically, the results of which indicate good binding propensity of complexes to DNA and BSA with high binding constant values. Furthermore, the compounds have been investigated for their cytotoxicities on A549 human lung cancer cell. Also the mode of cell death was examined employing various staining techniques and was found to be apoptotic.

Surface-driven, one-step chemical vapor deposition of γ-Al{sub 4}Cu{sub 9} complex metallic alloy film

Energy Technology Data Exchange (ETDEWEB)

Prud’homme, Nathalie [CIRIMAT, Université de Toulouse - CNRS, 4 allée Emile Monso, BP-44362, 31432 Toulouse Cedex 4 (France); Université Paris-Sud 11, LEMHE/ICMMO, Bat 410, 91405 Orsay Cedex (France); Duguet, Thomas, E-mail: thomas.duguet@ensiacet.fr [CIRIMAT, Université de Toulouse - CNRS, 4 allée Emile Monso, BP-44362, 31432 Toulouse Cedex 4 (France); Samélor, Diane; Senocq, François; Vahlas, Constantin [CIRIMAT, Université de Toulouse - CNRS, 4 allée Emile Monso, BP-44362, 31432 Toulouse Cedex 4 (France)

2013-10-15

The present paper is a paradigm for the one-step formation of complex intermetallic coatings by chemical vapor deposition. It genuinely addresses the challenge of depositing an intermetallic coating with comparable contents of Cu and Al. Depending on processing conditions, a pure γ-Al{sub 4}Cu{sub 9} and multi-phase Al-Cu films are grown with wetting properties of the former being similar to its bulk counterpart. The deposition process and its parametric investigation are detailed. Two metalorganic precursors are used taking into account their transport and chemical properties, and deposition temperature ranges. On line and ex situ characterizations enlighten the competition which occurs at the growing surface between molecular fragments, and which limits growth rates. Notably, introducing a partial pressure of hydrogen gas during deposition reduces Al growth rate from dimethylethylamine alane (DMEAA), by displacing the hydrogen desorption equilibrium. This Al partial growth rate decrease is not sufficient to achieve a Cu/Al atomic ratio that is high enough for the formation of intermetallics with close Al and Cu compositions. A fivefold increase of the flux of the gaseous copper(I) cyclopentadienyl triethylphosphine CpCuPEt{sub 3}, whereas the DMEAA flux remains constant, results in the targeted Al/Cu atomic ratio equal to 44/56. Nevertheless, the global growth rate is rendered extremely low by the deposition inhibition caused by a massive phosphine adsorption (-PEt{sub 3}). Despite these limitations, the results pave the way towards the conformal coating of complex surface geometries by such intermetallic compounds.

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

KAUST Repository

Nolan, Steve; Cavallo, Luigi; Poater, Albert; Vummaleti, Sai V. C.; Talarico, Giovanni

2015-01-01

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.

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.

Solid Waste Operations Complex W-113, Detail Design Report (Title II). Volume 1: Title II design report

International Nuclear Information System (INIS)

1995-09-01

The Solid Waste Retrieval Facility--Phase 1 (Project W113) will provide the infrastructure and the facility required to retrieve from Trench 04, Burial ground 4C, contact handled (CH) drums and boxes at a rate that supports all retrieved TRU waste batching, treatment, storage, and disposal plans. This includes (1) operations related equipment and facilities, viz., a weather enclosure for the trench, retrieval equipment, weighing, venting, obtaining gas samples, overpacking, NDE, NDA, shipment of waste and (2) operations support related facilities, viz., a general office building, a retrieval staff change facility, and infrastructure upgrades such as supply and routing of water, sewer, electrical power, fire protection, roads, and telecommunication. Title I design for the operations related equipment and facilities was performed by Raytheon/BNFL, and that for the operations support related facilities including infrastructure upgrade was performed by KEH. These two scopes were combined into an integrated W113 Title II scope that was performed by Raytheon/BNFL. Volume 1 provides a comprehensive narrative description of the proposed facility and systems, the basis for each of the systems design, and the engineering assessments that were performed to support the technical basis of the Title II design. The intent of the system description presented is to provide WHC an understanding of the facilities and equipment provided and the A/E's perspective on how these systems will operate

Simultaneous preconcentration of Cu, Fe and Pb as methylthymol blue complexes on naphthalene adsorbent and flame atomic absorption determination

International Nuclear Information System (INIS)

Pourreza, Nahid; Hoveizavi, Reza

2005-01-01

A simultaneous preconcentration method was developed for determination of trace amounts of Cu, Fe and Pb by atomic absorption spectrometry. The method is based on the retention of their methylthymol blue complexes by naphthalene methyltrioctyl ammonium chloride adsorbent in a column. The adsorbed metal complexes were eluted from the column with nitric acid and Cu, Fe and Pb were determined by flame atomic absorption spectrometry. Several parameters such as pH of the sample solution, ligand concentration, volume of the sample and the amount of methyltrioctyl ammonium chloride loaded on naphthalene were evaluated. The effect of diverse ions on the preconcentration was also investigated. A preconcentration factor of up to 100 or more can easily be achieved depending on the volume of the sample taken. The calibration graphs were obtained in the range of 5-40, 10-100 and 10-200 ng ml -1 for Cu, Fe and Pb in the initial solution, respectively, when using 500 ml of the solution. The detection limit based on three standard deviations of the blank was 0.54, 3.1, and 4.5 ng ml -1 for Cu, Fe and Pb, respectively. The relative standard deviations (R.S.D.) of 0.62-1.4% for Cu, 1.9-3.4% for Fe and 1.0-2.2% for Pb were obtained. The method was applied to the determination of Cu, Fe and Pb in river and wastewater samples

Tetranuclear copper(II) complexes bridged by alpha-D-glucose-1-phosphate and incorporation of sugar acids through the Cu4 core structural changes.

Science.gov (United States)

Kato, Merii; Sah, Ajay Kumar; Tanase, Tomoaki; Mikuriya, Masahiro

2006-08-21

Tetranuclear copper(II) complexes containing alpha-D-glucose-1-phosphate (alpha-D-Glc-1P), [Cu4(mu-OH){mu-(alpha-D-Glc-1P)}2(bpy)4(H2O)2]X3 [X = NO3 (1a), Cl (1b), Br (1c)], and [Cu4(mu-OH){mu-(alpha-D-Glc-1P)}2(phen)4(H2O)2](NO3)3 (2) were prepared by reacting the copper(II) salt with Na2[alpha-D-Glc-1P] in the presence of diimine ancillary ligands, and the structure of 2 was characterized by X-ray crystallography to comprise four {Cu(phen)}2+ fragments connected by the two sugar phosphate dianions in 1,3-O,O' and 1,1-O mu4-bridging fashion as well as a mu-hydroxo anion. The crystal structure of 2 involves two chemically independent complex cations in which the C2 enantiomeric structure for the trapezoidal tetracopper(II) framework is switched according to the orientation of the alpha-D-glucopyranosyl moieties. Temperature-dependent magnetic susceptibility data of 1a indicated that antiferromagnetic spin coupling is operative between the two metal ions joined by the hydroxo bridge (J = -52 cm(-1)) while antiferromagnetic interaction through the Cu-O-Cu sugar phosphate bridges is weak (J = -13 cm(-1)). Complex 1a readily reacted with carboxylic acids to afford the tetranuclear copper(II) complexes, [Cu4{mu-(alpha-D-Glc-1P)}2(mu-CA)2(bpy)4](NO3)2 [CA = CH3COO (3), o-C6H4(COO)(COOH) (4)]. Reactions with m-phenylenediacetic acid [m-C6H4(CH2COOH)2] also gave the discrete tetracopper(II) cationic complex [Cu4{mu-(alpha-D-Glc-1P)}2(mu-m-C6H4(CH2COO)(CH2COOH))2(bpy)4](NO3)2 (5a) as well as the cluster polymer formulated as {[Cu4{mu-(alpha-D-Glc-1P)}2(mu-m-C6H4(CH2COO)2)(bpy)4](NO3)2}n (5b). The tetracopper structure of 1a is converted into a symmetrical rectangular core in complexes 3, 4, and 5b, where the hydroxo bridge is dissociated and, instead, two carboxylate anions bridge another pair of Cu(II) ions in a 1,1-O monodentate fashion. The similar reactions were applied to incorporate sugar acids onto the tetranuclear copper(II) centers. Reactions of 1a with delta

Two-dimensional layer architecture assembled by Keggin polyoxotungstate, Cu(II)-EDTA complex and sodium linker: Synthesis, crystal structures, and magnetic properties

International Nuclear Information System (INIS)

Liu Hong; Xu Lin; Gao Guanggang; Li Fengyan; Yang Yanyan; Li Zhikui; Sun Yu

2007-01-01

Reaction of Keggin polyoxotungstate with copper(II)-EDTA (EDTA=ethylenediamine tetraacetate) complex under mild conditions led to the formation of hybrid inorganic-organic compounds Na 4 (OH)[(Cu 2 EDTA)PW 12 O 40 ].17H 2 O (1) and Na 4 [(Cu 2 EDTA)SiW 12 O 40 ].19H 2 O (2). The single-crystal X-ray diffraction analyses reveal their two structural features: (1) one-dimensional chain structure consisting of Keggin polyoxotungstate and copper(II)-EDTA complex; (2) Two-dimensional layer architecture assembled by the one-dimensional chain structure and sodium linker. The results of magnetic measurements in the temperature range 300-2 K indicated the existence of ferromagnetic exchange interactions between the Cu II ions for both compounds. In addition, TGA analysis, IR spectra, and electrochemical properties were also investigated to well characterize these two compounds. - Graphical abstract: Two new polyoxometalate-based hybrids, Na 4 (OH)[Cu 2 (EDTA)PW 12 O 40 ].17H 2 O (1) and Na 4 [Cu 2 (EDTA)SiW 12 O 40 ].19H 2 O (2), have been synthesized and structurally characterized, which consist of one-dimensional chain structure assembled by Keggin polyoxotungstate and copper(II)-EDTA complex. The chains are further connected to form two-dimensional layer architecture assembled by the one-dimensional chain structure and sodium linker

Tailoring Graphene Morphology and Orientation on Cu(100), Cu(110), and Cu(111)

Science.gov (United States)

Jacobberger, Robert; Arnold, Michael

2013-03-01

Graphene CVD on Cu is phenomenologically complex, yielding diverse crystal morphologies, such as lobes, dendrites, stars, and hexagons, of various orientations. We present a comprehensive study of the evolution of these morphologies as a function of Cu surface orientation, pressure, H2:CH4, and nucleation density. Growth was studied on ultra-smooth, epitaxial Cu films inside Cu enclosures to minimize factors that normally complicate growth. With low H2:CH4, Mullins-Sekerka instabilities propagate to form dendrites, indicating transport limited growth. In LPCVD, the dendrites extend hundreds of microns in the 100, 111, and 110 directions on Cu(100), (110), and (111) and are perturbed by twin boundaries. In APCVD, multiple preferred dendrite orientations exist. With increasing H2:CH4, the dendritic nature of growth is suppressed. In LPCVD, square, rectangle, and hexagon crystals form on Cu(100), (110) and (111), reflecting the Cu crystallography. In APCVD, the morphology becomes hexagonal on each surface. If given ample time, every growth regime yields high-quality monolayers with D:G Raman ratio rationally tailor the graphene crystal morphology and orientation.

Synthesis, structure, and magnetic properties of two 1-D helical coordination polymeric Cu(II) complexes

Science.gov (United States)

Bian, He-Dong; Yang, Xiao-E.; Yu, Qing; Chen, Zi-Lu; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng

2008-01-01

Two helical coordination polymeric copper(II) complexes bearing amino acid Schiff bases HL or HL', which are condensed from 2-hydroxy-1-naphthaldehyde with 2-aminobenzoic acid or L-valine, respectively, have been prepared and characterised by X-ray crystallography. In [CuL] n ( 1) the copper(II) atoms are bridged by syn- anti carboxylate groups giving infinite 1-D right-handed helical chains which are further connected by weak C-H⋯Cu interactions to build a 2-D network. While in [CuL'] n ( 2) the carboxylate group acts as a rare monatomic bridge to connect the adjacent copper(II) atoms leading to the formation of a left-handed helical chain. Magnetic susceptibility measurements indicate that 1 exhibits weak ferromagnetic interactions whereas an antiferromagnetic coupling is established for 2. The magnetic behavior can be satisfactorily explained on the basis of the structural data.

New Mononuclear Cu(II Complexes and 1D Chains with 4-Amino-4H-1,2,4-triazole

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Marinela M. Dîrtu

2013-12-01

Full Text Available The crystal structures of two mononuclear Cu(II NH2trz complexes [Cu(NH2trz4(H2O](AsF62 (I and [Cu(NH2trz4(H2O](PF62 (II as well as two coordination polymers [Cu(μ2-NH2trz2Cl]Cl∙H2O (III and [Cu(μ2-NH2trz2Cl] (SiF60.5∙1.5H2O (IV are presented. Cationic 1D chains with bridging bis-monodentate μ2-coordinated NH2trz and bridging μ2-coordinated chloride ligands are present in III and IV. In these coordination polymers, the Cu(II ions are strongly antiferromagnetically coupled with J = −128.4 cm−1 for III and J = −143 cm−1 for IV (H = −JΣSiSi+1, due to the nature of the bridges between spin centers. Inter-chain interactions present in the crystal structures were taken into consideration, as well as g factors, which were determined experimentally, for the quantitative modeling of their magnetic properties.

Inorganic anion-dependent assembly of zero-, one-, two- and three-dimensional Cu(II)/Ag(I) complexes under the guidance of the HSAB theory: Synthesis, structure, and magnetic property

Energy Technology Data Exchange (ETDEWEB)

Liu, Yaru; Xing, Zhiyan [School of Science, North University of China, Taiyuan, Shanxi 030051 (China); Zhang, Xiao [MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150080 (China); Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080 PR China (China); Liang, Guorui [School of Science, North University of China, Taiyuan, Shanxi 030051 (China)

2017-02-15

To systematically explore the influence of inorganic anions on building coordination complexes, five novel complexes based on 1-(benzotriazole-1-methyl)−2-propylimidazole (bpmi), [Cu(bpmi){sub 2}(Ac){sub 2}]·H{sub 2}O (1), [Cu(bpmi){sub 2}(H{sub 2}O){sub 2}]·2NO{sub 3}·2H{sub 2}O (2), [Cu(bpmi)(N{sub 3}){sub 2}] (3), [Ag(bpmi)(NO{sub 3})] (4) and [Cu{sub 3}(bpmi){sub 2}(SCN){sub 4}(DMF)] (5) (Ac{sup −}=CH{sub 3}COO{sup −}, DMF=N,N-Dimethylformamide) are synthesized through rationally introducing Cu(II) salts and Ag(I) salt with different inorganic anions. X-ray single-crystal analyses reveal that these complexes show interesting structural features from mononuclear (1), one-dimensional (2 and 3), two-dimensional (4) to three-dimensional (5) under the influence of inorganic anions with different basicities. The structural variation can be explained by the hard-soft-acid-base (HSAB) theory. Magnetic susceptibility measurement indicates that complex 3 exhibits an antiferromagnetic coupling between adjacent Cu(II) ions. - Graphical abstract: Five new Cu(II)/Ag(I) complexes show interesting structural features from mononuclear, one-dimension, two-dimension to three-dimension under the influence of inorganic anions. The structural variation can be explained by the HSAB theory. - Highlights: • Five inorganic anion-dependent complexes are synthesized. • Structural variation can be explained by the hard-soft-acid-base (HSAB) theory. • The magnetic property of complex has been studied.

Magneto-structural correlations in trinuclear Cu(II) complexes: a density functional study

CERN Document Server

Rodríguez-Forteá, A; Alvarez, S; Centre-De Recera-En-Quimica-Teorica; Alemany, P A; Centre-De Recera-En-Quimica-Teorica

2003-01-01

Density functional theoretical methods have been used to study magneto-structural correlations for linear trinuclear hydroxo-bridged copper(II) complexes. The nearest-neighbor exchange coupling constant shows very similar trends to those found earlier for dinuclear compounds for which the Cu-O-Cu angle and the out of plane displacement of the hydrogen atoms at the bridge are the two key structural factors that determine the nature of their magnetic behavior. Changes in these two parameters can induce variations of over 1000 cm sup - sup 1 in the value of the nearest-neighbor coupling constant. On the contrary, coupling between next-nearest neighbors is found to be practically independent of structural changes with a value for the coupling constant of about -60 cm sup - sup 1. The magnitude calculated for this coupling constant indicates that considering its value to be negligible, as usually done in experimental studies, can lead to considerable errors, especially for compounds in which the nearest-neighbor c...

Selective C–C Coupling Reaction of Dimethylphenol to Tetramethyldiphenoquinone Using Molecular Oxygen Catalyzed by Cu Complexes Immobilized in Nanospaces of Structurally-Ordered Materials

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Zen Maeno

2015-02-01

Full Text Available Two high-performance Cu catalysts were successfully developed by immobilization of Cu ions in the nanospaces of poly(propylene imine (PPI dendrimer and magadiite for the selective C–C coupling of 2,6-dimethylphenol (DMP to 3,3',5,5'-tetramethyldiphenoquinone (DPQ with O2 as a green oxidant. The PPI dendrimer encapsulated Cu ions in the internal nanovoids to form adjacent Cu species, which exhibited significantly high catalytic activity for the regioselective coupling reaction of DMP compared to previously reported enzyme and metal complex catalysts. The magadiite-immobilized Cu complex acted as a selective heterogeneous catalyst for the oxidative C–C coupling of DMP to DPQ. This heterogeneous catalyst was recoverable from the reaction mixture by simple filtration, reusable without loss of efficiency, and applicable to a continuous flow reactor system. Detailed characterization using ultraviolet-visible (UV-vis, Fourier transform infrared (FTIR, electronic spin resonance (ESR, and X-ray absorption fine structure (XAFS spectroscopies and the reaction mechanism investigation revealed that the high catalytic performances of these Cu catalysts were ascribed to the adjacent Cu species generated within the nanospaces of the PPI dendrimer and magadiite.

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

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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.

Synthesis, characterization, structure and properties of heterobimetallic complexes [CuNi(μ-OAc) (μ-OH) (μ-OH2) (bpy)2] (BF4)2 and [CuNi(bz)3(bpy)2] ClO4 from 2,2‧ bipyridine

Science.gov (United States)

Kurbah, Sunshine D.; Kumar, A.; Syiemlieh, I.; Dey, A. K.; Lal, R. A.

2018-02-01

Heterobimetallic complexes of the composition [CuNi(bpy)2 (μ-OAc) (μ-OH) (μ-OH2)](BF4)2 (1) and [CuNi(bz)3 (bpy)2]ClO4 (2) were synthesized in moderate yield through solid state reaction and have been characterized by elemental analyses, molar conductance, mass spectra, magnetic moment, EPR, UV-Vis, IR spectroscopies and cyclic voltammetry. The ground state in complex (1) is doublet while that in complex (2), the ground state is a mixture of doublet and quartet, respectively. The structure of the complexes has been established by X-ray crystallography. The electron transfer reactions of the complexes have been investigated by cyclic voltammetry.

Magnetotransport of CaCu3Mn4O12 complex perovskite derivatives

International Nuclear Information System (INIS)

Sanchez-Benitez, J.; Andres, A. de; Garcia-Hernandez, M.; Alonso, J.A.; Martinez-Lope, M.J.

2006-01-01

Neutron powder diffraction, magnetic and magnetotransport studies were carried out on new derivatives of the CaCu 3 Mn 4 O 12 (A'A 3 B 4 O 12 ) complex perovskite. The samples were prepared in polycrystalline form under moderate pressure conditions. Substitutions at A and A' sites of CaCu 3 Mn 4 O 12 , with only Mn 4+ and insulating behavior, imply electron doping that affects the magnetic and transport properties. X-ray Absorption Spectroscopy showed that Mn 3+ /Mn 4+ valence mixing occurs only at B site, progressively filling the e g band and providing the metallic character in these compounds, as we observe in most of these samples. A semiconducting behavior is observed in samples with 50% Mn 3+ at B site. This can be understood by the opening of a gap in the conduction band corresponding to the half filling of the e g states. This is the case of the tetravalent rare earth doped samples (Ce and Th at A' site) and of the appropriate A site doped Ca(CuMn 2 )Mn 4 O 12 sample. At the strongly distorted A positions, Mn 3+ , with localized e g electrons, act as magnetic impurities at very low temperatures (<40 K) giving rise to the observed upturn in the resistivity. The magnetic origin of this scattering is evidenced by its drastic reduction under a magnetic field

Synthesis, characterization and anti-fungal evaluation of Ni(II and Cu(II complexes with a derivative of 4-aminoantipyrine

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Monika Tyagi

2017-01-01

Full Text Available Transition metal complexes of Ni(II and Cu(II metal ions with the general stoichiometry [M(LX]X and [M(LSO4], where M = Ni(II and Cu(II, L = (1E-N-((5-((E-(2,3-dimethyl-1-phenyl-4-pyrazolineiminomethylthiophen-2-ylmethylene-2,3-dimethyl-1-phenyl-4-pyrazolineamine and X = Cl−, NO3− and SO42−, have been synthesized and characterized. The synthesized ligand and metal complexes were characterized by 1H NMR, IR, mass spectrometry, UV–Vis spectra and EPR. In molecular modelling, the geometries of the Schiff's base and metal complexes were fully optimized with respect to the energy using the 6-31g(d,p basis set. The nickel(II complexes were found to have octahedral geometry, whereas the copper(II complexes were of tetragonal geometry. The covalency factor (β and orbital reduction factor (k suggest the covalent nature of the complexes. To develop broad spectrum new molecules against seed-borne fungi, the minimum inhibitory concentration (MIC of the ligand and its metal complexes was evaluated by the serial dilution method.

Transition metal complexes with thiosemicarbazide-based ligands. Part 60. Reactions of copper(II bromide with pyridoxal S-methylisothiosemicarbazone (PLITSC. Crystal structure of [Cu(PLITSC−HH2O]Br•H2O

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Leovac Vukadin M.

2014-01-01

Full Text Available The synthesis and structural characterization of a square-planar copper(II complex with pyridoxal S-methylisothiosemicarbazone (PLITSC of the formula [Cu(PLITSC−HH2O]Br•H2O (1 as the first Cu(II complex with monoanionic form of this ligand were described. Complex 1 together with two previously synthesized complexes [Cu(PLITSCBr2] (2 and [Cu(PLITSCBr(MeOH]Br (3 were characterized by elemental analysis, IR and electronic spectra and also by the methods of thermal analysis, conductometry and magnetochemistry. [Projekat Pokrajisnkog sekretarijata za nauku i tehnoloski razvoj Vojvodine i Ministarstva nauke Republike Srbije, br. 172014

Synthesis, characterization, DNA interaction and antimicrobial screening of isatin-based polypyridyl mixed-ligand Cu(II and Zn(II complexes

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NATARAJAN RAMAN

2010-06-01

Full Text Available Several mixed ligand Cu(II/Zn(II complexes using 3-(phenyl-imino-1,3-dihydro-2H-indol-2-one (obtained by the condensation of isatin and aniline as the primary ligand and 1,10-phenanthroline (phen/2,2’-bipyridine (bpy as an additional ligand were synthesized and characterized analytically and spectroscopically by elemental analyses, magnetic susceptibility and molar conductance measurements, as well as by UV–Vis, IR, NMR and FAB mass spectroscopy. The interaction of the complexes with calf thymus (CT DNA was studied using absorption spectra, cyclic voltammetric and viscosity measurements. They exhibit absorption hypochromicity, and the specific viscosity increased during the binding of the complexes to calf thymus DNA. The shifts in the oxidation–reduction potential and changes in peak current on addition of DNA were shown by CV measurements. The Cu(II/Zn(II complexes were found to promote cleavage of pUC19 DNA from the supercoiled form I to the open circular form II and linear form III. The complexes show enhanced antifungal and antibacterial activities compared with the free ligand.

H2S Sensing by Hybrids Based on Nanocrystalline SnO2 Functionalized with Cu(II Organometallic Complexes: The Role of the Ligand Platform

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Marina Rumyantseva

2017-11-01

Full Text Available This paper deals with the functionalization of nanocrystalline SnO2 with Cu(II complexes with organic ligands, aimed at the improvement of sensor selectivity towards gas molecules. For the synthesis of metalorganic/SnO2 hybrid material complexes of Cu(II with phthalocyanine, porphyrinines, bipyridine and azadithiacrown etherwere used. The analysis of gas sensor properties showed the possibility of increasing the sensitivity and selectivity of hybrid materials in H2S detection due to the electron transfer from SnO2 to an adsorbed organic molecule, which changes during the interaction between H2S and Cu(II ions.

Syntheses, structures, electrochemistry and catalytic oxidation degradation of organic dyes of two new coordination polymers derived from Cu(II) and Mn(II) and 1-(tetrazo-5-yl)-4-(triazo-1-yl)benzene

Energy Technology Data Exchange (ETDEWEB)

Song, Ming; Mu, Bao; Huang, Ru-Dan, E-mail: huangrd@bit.edu.cn

2017-02-15

Two new coordination polymers (CPs), namely, [Cu{sub 2}(ttbz)(H{sub 2}btc){sub 2}(OH)]{sub n} (1) and [Mn(ttbz){sub 2}(H{sub 2}O){sub 2}]{sub n} (2) (Httbz =1-(tetrazo-5-yl)-4-(triazo-1-yl)benzene, H{sub 3}btc =1,3,5-benzenetricarboxylic acid), have been hydrothermally synthesized and structurally characterized. Complex 1 exhibits a (3,5,5,5)-connected 2D layer with a Schläfli symbol of (3·4{sup 2})(3·4{sup 4}0.5{sup 2}0.6{sup 3})(3{sup 2}0.4{sup 4}0.5{sup 2}0.6{sup 2})(3{sup 2}0.4{sup 4}0.5{sup 3}0.6), in which the ttbz{sup -} ligand can be described as μ{sub 5}-bridge, linking Cu(II) ions into a 2D layer and H{sub 2}btc{sup -} ions play a supporting role in complex 1. The ttbz{sup -} ligand in complex 2 represents the bridging coordination mode, connecting two Mn(II) ions to form the infinite 1D zigzag chains, respectively, which are further connected by two different types of hydrogen bonds to form a 3D supramolecular. Furthermore, catalytic oxidation activities toward organic dyes and electrochemical behaviors of the title complexes have been investigated at room temperature in aqueous solutions, indicating these complexes may be applicable to color removal in a textile wastewater stream and practical applications in areas of electrocatalytic reduction toward nitrite, respectively. - Graphical abstract: Two new coordination polymers based on different structural characteristics have been hydrothermally synthesized by the mixed ligands. The catalytic oxidation activities toward organic dyes and electrochemical behaviors of the title complexes have been investigated. - Highlights: • The organic ligand containing the tetrazolyl group and triazolyl group with some advantages has been used. • Two new coordination polymers with different structural characteristics has been discussed in detail. • Catalytic oxidation activities toward organic dyes and electrochemical behaviors of the title complexes have been investigated.

Stabilities of thiomolybdate complexes of iron; implications for retention of essential trace elements (Fe, Cu, Mo) in sulfidic waters.

Science.gov (United States)

Helz, George R; Erickson, Britt E; Vorlicek, Trent P

2014-06-01

In aquatic ecosystems, availabilities of Fe, Mo and Cu potentially limit rates of critical biological processes, including nitrogen fixation, nitrate assimilation and N2O decomposition. During long periods in Earth's history when large parts of the ocean were sulfidic, what prevented these elements' quantitative loss from marine habitats as insoluble sulfide phases? They must have been retained by formation of soluble complexes. Identities of the key ligands are poorly known but probably include thioanions. Here, the first determinations of stability constants for Fe(2+)-[MoS4](2-) complexes in aqueous solution are reported based on measurements of pyrrhotite (hexagonal FeS) solubility under mildly alkaline conditions. Two linear complexes, [FeO(OH)MoS4](3-) and [(Fe2S2)(MoS4)2](4-), best explain the observed solubility variations. Complexes that would be consistent with cuboid cluster structures were less successful, implying that such clusters probably are minor or absent in aqueous solution under the conditions studied. The new data, together with prior data on stabilities of Cu(+)-[MoS4](2-) complexes, are used to explore computationally how competition of Fe(2+) and Cu(+) for [MoS4](2-), as well as competition of [MoS4](2-) and HS(-) for both metals would be resolved in solutions representative of sulfidic natural waters. Thiomolybdate complexes will be most important at sulfide concentrations near the [MoO4](2-)-[MoS4](2-) equivalence point. At lower sulfide concentrations, thiomolybdates are insufficiently stable to be competitive ligands in natural waters and at higher sulfide concentrations HS(-) ligands out-compete thiomolybdates.

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

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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.

Oxidation of Cu(II) aminopolycarboxylates by carbonate radical. A flash photolysis study

International Nuclear Information System (INIS)

Mandal, P.C.; Bardhan, D.K.

1999-01-01

Reactions of carbonate radical (CO 3 -. ) generated by photolysis or by radiolysis of a carbonate solution, with Cu(II) complexes of aminopolycarboxylic acids viz., Cu(II)ethylenediamine tetraacetate [Cu II EDTA] 2- and Cu(II)-iminodiacetate [Cu II IDA] were studied at pH 10.5 and ionic strength 0.2 mol x dm -3 . Time-resolved spectroscopy and kinetics for the transients were studied using flash photolysis and stable products arising from the ligand degradation of the complex were ascertained by steady-state radiolysis experiments. From the kinetic data it is observed that CO 3 -. radical reacts initially with Cu II -complex to form a transient intermediate having maximum absorption at 335 nm and 430 nm. From the subsequent reactions of this intermediate it was assigned to be Cu III .species. This Cu(III) species undergoes intermolecular electron transfer with the Cu II -complex to give a radical intermediate which again slowly reacts with Cu II -complex to give a long lived species containing Cu-C bond. This long lived species, however, slowly decomposed to give glyoxalic reaction between Cu III -complex and a suitable donor, the one electron reduction potential for [Cu III EDTA] 1- /[Cu II EDTA] 2- and [Cu III IDA] +1 /Cu II IDA was determined. (author)

The preparation and characterization of Cu(II complexes with N,N’,N”,N’”-tetrakis(2-pyridylmethyl-1,4,8,11-tetraazacyclotetradecane and 2,6-diacetylpyridine bis(semi/thiosemicarbazones

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GORDANA VUCKOVIC

2004-03-01

Full Text Available Two new Cu(II mixed-ligand complexes with octadentate N,N’,N”,N’”-tetrakis(2-pyridylmethyl-1,4,8,11-tetraazacyclotetradecane (tpmc and potentially pentadentate ligands 2,6-diacetylpyridine bis(semicarbazone (DAPsc2 or 2,6-diacetylpyridine bis(thiosemicarbazone (DAPtsc2 were prepared. The general formulas: [Cu4 DAPsc2(tpmc2]ClO48·5CH3COCH3·H2O and [Cu2 DAPtsc2(tpmc](ClO44·7C2H5OH were proposed on the basis of elemental analyses and conductometric measurements. The complexes were characterized by magnetic measurement, electronic absorption and IR spectroscopy. For the dinuclear complex, an exo coordination of Cu(II with four nitrogens from tpmc and m-bonded DAPtsc2 through sulfurs and possibly terminal hydrazinic (azomethine nitrogens is assumed. For the tetranuclear complex, it is supposed that one DAPsc2 bridges two [Cu2 tpmc]4+ units using oxygens and terminal hydrazinic nitrogens as ligators. Finally, some antibacterial activity of the complexes was found.

Fe- and Cu-complex formation with artificial ligands investigated by ultra-high resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS: Implications for natural metal-organic complex studies

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Hannelore Waska

2016-07-01

Full Text Available In recent years, electrospray-ionization mass spectrometry (ESI-MS has been increasingly used to complement the bulk determination of metal-ligand equilibria, for example via competitive ligand exchange-adsorptive cathodic stripping voltammetry (CLE-ACSV. However, ESI-MS speciation analyses may be impacted by instrumental artefacts such as reduction reactions, fragmentation, and adduct formation at the ESI source, changes in the ionization efficiencies of the detected species in relation to sample matrix, and peak overlaps in response to increasing sample complexity. In our study, equilibria of the known artificial ligands citrate, ethylenediaminetetraacetic acid (EDTA, 1-nitroso-2-naphthol (NN, and salicylaldoxime (SA with iron (Fe and copper (Cu were investigated by ultra-high resolution ESI-MS, Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS, under a variety of sample matrix and ionization settings. The acquired mass spectra were compared with metal-ligand equilibrium data from the literature as well as an adapted speciation model. Overall, the mass spectra produced representative species mentioned in previous reports and predicted by the speciation calculations, such as Fe(Cit, Cu(Cit2, Fe(EDTA, Cu(EDTA, Fe(NN3, and Cu(SA2. The analyses furthermore revealed new species which had been hypothesized but not measured directly using other methods, for example ternary complexes of citrate with Fe and Cu, Cu(SA monomers, and the dimer Fe(SA2. Finally, parallel measurements of a Cu+SA calibration series and a Cu+SA+EDTA competition series indicated that FT-ICR-MS can produce linear responses and low detection limits analogous to those of ACSV. We propose that ultra-high resolution FT-ICR-MS can be used as a representative tool to study interactions of trace metals with artificial as well as natural, unknown ligands at the molecular level.

Synthesis, Characterization and Antimicrobial Activity of Cu(II, Co(II and Ni(II Complexes with O, N, and S Donor Ligands

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Vidyavati Reddy

2008-01-01

Full Text Available The complexes of the type ML2 [where M = Cu(II, Co(II, and Ni(II] L = 1-phenyl-1-ene-3-(2-hydroxyphenyl-prop-2-ene with 3- substituted-5-mercapto-4-amino-1,2,4-triazoles. Schiff base ligands have been prepared by reacting 3-(2-hydroxyphenyl-1-phenylprop-2-en-1-one and 3-phenyl/pyridyl-4-amino-5-mercapto-1,2,4-triazoles in an alcoholic medium. The complexes are non-electrolytes in DMF. The resulting complexes were characterized by elemental analysis, magnetic measurements, conductivity measurements and spectral studies. The Schiff base acts as a tridentate dibasic and coordinating through the deprotonated oxygen, thioenolic sulphur and azomethine nitrogen atoms. It is found that Cu(II, Co(II, and Ni(II complexes exhibited octahedral geometry. The antimicrobial activities of ligands and its complexes were screened by cup plate method.

A CU-Level Rate and Distortion Estimation Scheme for RDO of Hardware-Friendly HEVC Encoders Using Low-Complexity Integer DCTs.

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Lee, Bumshik; Kim, Munchurl

2016-08-01

In this paper, a low complexity coding unit (CU)-level rate and distortion estimation scheme is proposed for High Efficiency Video Coding (HEVC) hardware-friendly implementation where a Walsh-Hadamard transform (WHT)-based low-complexity integer discrete cosine transform (DCT) is employed for distortion estimation. Since HEVC adopts quadtree structures of coding blocks with hierarchical coding depths, it becomes more difficult to estimate accurate rate and distortion values without actually performing transform, quantization, inverse transform, de-quantization, and entropy coding. Furthermore, DCT for rate-distortion optimization (RDO) is computationally high, because it requires a number of multiplication and addition operations for various transform block sizes of 4-, 8-, 16-, and 32-orders and requires recursive computations to decide the optimal depths of CU or transform unit. Therefore, full RDO-based encoding is highly complex, especially for low-power implementation of HEVC encoders. In this paper, a rate and distortion estimation scheme is proposed in CU levels based on a low-complexity integer DCT that can be computed in terms of WHT whose coefficients are produced in prediction stages. For rate and distortion estimation in CU levels, two orthogonal matrices of 4×4 and 8×8 , which are applied to WHT that are newly designed in a butterfly structure only with addition and shift operations. By applying the integer DCT based on the WHT and newly designed transforms in each CU block, the texture rate can precisely be estimated after quantization using the number of non-zero quantized coefficients and the distortion can also be precisely estimated in transform domain without de-quantization and inverse transform required. In addition, a non-texture rate estimation is proposed by using a pseudoentropy code to obtain accurate total rate estimates. The proposed rate and the distortion estimation scheme can effectively be used for HW-friendly implementation of

trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+).

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Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël

2011-05-07

The synthesis of the cross-bridged cyclen CRpy(2) {4,10-bis((pyridin-2-yl)methyl)-1,4,7,10-tetraazabicyclo[5.5.2]tetradecane}, a constrained analogue of the previously described trans-methylpyridine cyclen Cpy(2) is reported. The additional ethylene bridge confers to CRpy(2) proton-sponge type behaviour which was explored by NMR and potentiometric studies. Transition metal complexes have been synthesized (by complexation of both ligands with Co(2+), Cu(2+) and Zn(2+)) and characterized in solution and in the solid state. The single crystal X-ray structures of [CoCpy(2)](2+), [CuCpy(2)](2+) and [ZnCpy(2)](2+) complexes were determined. Stability constants of the complexes, including those of the cross-bridged derivative, were determined using potentiometric titration data and the kinetic inertness of the [CuCRpy(2)](2+) complex in an acidic medium (half-life values) was evaluated by spectrophotometry. The pre-organized structure of the cross-bridged ligand imposes an additional strain for the complexation leading to complexes with smaller thermodynamic stability in comparison with the related non-bridged ligand. The electrochemical study involving cyclic voltammetry underlines the importance of the ethylene cross-bridge on the redox properties of the transition metal complexes.

Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes.

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Phillips, Jordan J; Peralta, Juan E

2014-08-07

To benchmark the performance of a new method based on noncollinear coupled-perturbed density functional theory [J. Chem. Phys. 138, 174115 (2013)], we calculate the magnetic exchange couplings in a series of triply bridged ferromagnetic dinuclear Cu(II) complexes that have been recently synthesized [Phys. Chem. Chem. Phys. 15, 1966 (2013)]. We find that for any basis-set the couplings from our noncollinear coupled-perturbed methodology are practically identical to those of spin-projected energy-differences when a hybrid density functional approximation is employed. This demonstrates that our methodology properly recovers a Heisenberg description for these systems, and is robust in its predictive power of magnetic couplings. Furthermore, this indicates that the failure of density functional theory to capture the subtle variation of the exchange couplings in these complexes is not simply an artifact of broken-symmetry methods, but rather a fundamental weakness of current approximate density functionals for the description of magnetic couplings.

Preparation of CuO nanoparticles by thermal decomposition of double-helical dinuclear copper(II Schiff-base complexes

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Aliakbar Dehno Khalaji

2015-12-01

Full Text Available In this paper, two double helical dinuclear copper(II complexes of bis-N,O-bidentate Schiff base ligands bis(3-methoxy-N-salicylidene-4,4'-diaminodiphenylsulfone (L1 and bis(5-bromo-N-salicylidene-4,4'-diaminodiphenylsulfone (L2 were prepared and characterized by elemental analyses (CHN, as well as thermal analysis. Elemental analyses (CHN suggested that the reaction between ligands and copper salt has been occurred in 1:1 molar ratio. In these complexes the Schiff base ligands behaves as an anionic and bis-bidentate chelate and is coordinated to the copper(II ion via two phenolic oxygen and two iminic nitrogen atoms. In these double helical dinuclear complexes, each copper(II center has a pseudo-tetrahedral coordination sphere two-wrapped ligands. Thermal analysis of ligands and their complexes were studied in the range of room temperature to 750 °C with a heating rate of 10 °C min-1. TG plots show that the ligands and their complexes are thermally decomposed via 2 and 3 thermal steps, respectively. In addition, the complexes thermally decomposed in air at 520 °C for 3 h. The obtained solids characterized by Fourier transform infrared spectroscopy (FT-IR, X-ray powder diffraction (XRD and transmission electron microscopy (TEM. The X-ray pattern result shows that the CuO nanoparticles are pure and single phase. The TEM result shows the as prepared CuO nanoparticles were very small and similar shape with particle size about

Heterospin systems constructed from [Cu2Ln]3+ and [Ni(mnt)2]1-,2- Tectons: First 3p-3d-4f complexes (mnt = maleonitriledithiolato).

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Madalan, Augustin M; Avarvari, Narcis; Fourmigué, Marc; Clérac, Rodolphe; Chibotaru, Liviu F; Clima, Sergiu; Andruh, Marius

2008-02-04

New heterospin complexes have been obtained by combining the binuclear complexes [{Cu(H(2)O)L(1)}Ln(O(2)NO)(3)] or [{CuL(2)}Ln(O(2)NO)(3)] (L(1) = N,N'-propylene-di(3-methoxysalicylideneiminato); L(2) = N,N'-ethylene-di(3-methoxysalicylideneiminato); Ln = Gd(3+), Sm(3+), Tb(3+)), with the mononuclear [CuL(1)(2)] and the nickel dithiolene complexes [Ni(mnt)(2)](q)- (q = 1, 2; mnt = maleonitriledithiolate), as follows: (1)infinity[{CuL(1)}(2)Ln(O(2)NO){Ni(mnt)(2)}].Solv.CH(3)CN (Ln = Gd(3+), Solv = CH(3)OH (1), Ln = Sm(3+), Solv = CH(3)CN (2)) and [{(CH(3)OH)CuL(2)}(2)Sm(O(2)NO)][Ni(mnt)(2)] (3) with [Ni(mnt)2]2-, [{(CH(3)CN)CuL(1)}(2)Ln(H(2)O)][Ni(mnt)(2)]3.2CH(3)CN (Ln = Gd(3+) (4), Sm(3+) (5), Tb(3+) (6)), and [{(CH(3)OH)CuL(2)}{CuL(2)}Gd(O(2)NO){Ni(mnt)(2)}][Ni(mnt)(2)].CH(2)Cl(2) (7) with [Ni(mnt))(2]*-. Trinuclear, almost linear, [CuLnCu] motifs are found in all the compounds. In the isostructural 1 and 2, two trans cyano groups from a [Ni(mnt)2]2- unit bridge two trimetallic nodes through axial coordination to the Cu centers, thus leading to the establishment of infinite chains. 3 is an ionic compound, containing discrete [{(CH(3)OH)CuL(2)}(2)Sm(O(2)NO)](2+) cations and [Ni(mnt)(2)](2-) anions. Within the series 4-6, layers of discrete [CuLnCu](3+) motifs alternate with stacks of interacting [Ni(mnt)(2)](*-) radical anions, for which two overlap modes, providing two different types of stacks, can be disclosed. The strength of the intermolecular interactions between the open-shell species is estimated through extended Hückel calculations. In compound 7, [Ni(mnt)(2)](*-) radical anions coordinate group one of the Cu centers of a trinuclear [Cu(2)Gd] motif through a CN, while discrete [Ni(mnt)(2)](*-) units are also present, overlapping in between, but also with the coordinated ones. Furthermore, the [Cu(2)Gd] moieties dimerize each other upon linkage by two nitrato groups, both acting as chelate toward the gadolinium ion from one unit and monodentate toward a

Dinuclear Cu(II) complexes of isomeric bis-(3-acetylacetonate)benzene ligands: synthesis, structure, and magnetic properties.

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Rancan, Marzio; Dolmella, Alessandro; Seraglia, Roberta; Orlandi, Simonetta; Quici, Silvio; Sorace, Lorenzo; Gatteschi, Dante; Armelao, Lidia

2012-05-07

Highly versatile coordinating ligands are designed and synthesized with two β-diketonate groups linked at the carbon 3 through a phenyl ring. The rigid aromatic spacer is introduced in the molecules to orient the two acetylacetone units along different angles and coordination vectors. The resulting para, meta, and ortho bis-(3-acetylacetonate)benzene ligands show efficient chelating properties toward Cu(II) ions. In the presence of 2,2'-bipyridine, they promptly react and yield three dimers, 1, 2, and 3, with the bis-acetylacetonate unit in bridging position between two metal centers. X-ray single crystal diffraction shows that the compounds form supramolecular chains in the solid state because of intermolecular interactions. Each of the dinuclear complexes shows a magnetic behavior which is determined by the combination of structural parameters and spin polarization effects. Notably, the para derivative (1) displays a moderate antiferromagnetic coupling (J = -3.3 cm(-1)) along a remarkably long Cu···Cu distance (12.30 Å).

Diethylenetriamine/diamines/copper (II complexes [Cu(dien(NN]Br2: Synthesis, solvatochromism, thermal, electrochemistry, single crystal, Hirshfeld surface analysis and antibacterial activity

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Fatima Abu Saleemh

2017-09-01

Full Text Available Two dicationic water soluble mixed triamine/diamine copper (II complexes, of general formula [Cu(dienNN]Br2 (1–2 [dien = diethelenetriamine and NN is en = ethylenediamine or Me4en = N,N′,N,N′-tetramethylethylenediamine] were prepared under ultrasonic mode with a relatively high yield. These complexes were characterized by elemental microanalysis, UV visible IR spectroscopy, and thermal and electrochemical techniques. In addition, complex 2 structure was solved by X-ray single crystal and Hirshfeld surface analysis. The complex exhibits a distorted square pyramidal coordination environment around Cu(II centre. The solvatochromism of the desired complexes was investigated in water and other suitable organic solvents. The results show that the Guttmann’s DN parameter values of the solvents have mainly contributed to the shift of the d–d absorption band towards the linear increase in the wavelength of the absorption maxima of the complexes. The complex 1 showed higher antibacterial activity against the studied microorganisms compared to complex 2. Both complexes revealed promising antibacterial activities.

Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework

International Nuclear Information System (INIS)

Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra

2017-01-01

Three novel tetranuclear copper(II) complexes namely [Cu 4 (L 1 ) 4 ]∙2(dmf) (1), [Cu 4 (L 1 ) 4 ] (2) and [Cu 4 (L 2 ) 2 (HL 2 ) 2 (H 2 O) 2 ]∙2(ClO 4 )·6(H 2 O) (3) (H 2 L 1 , (E)−2-((1-hydroxybutan-2-ylimino)methyl)phenol; H 2 L 2 , (E)−2-((1-hydroxybutan-2-ylimino)methyl)−6-methoxyphenol)) were synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligands. The structural determination reveals that crystallizes in the monoclinic system with space group C2/c, whereas both the and crystallize in the triclinic system with space group P-1. and possess face-sharing dicubane core, on the other hand complex 3 has double open cubane core structure. The copper(II) ions in the cubane core are in distorted square planar geometries, and weak π…π and C–H…π interactions lead to formation of a 2D supramolecular architecture for and . At room temperature and , exhibit fluorescence with a quantum yield (Φ s ) of 0.47, 0.49 and 0.38, respectively. Variable temperature magnetic susceptibility measurements in the range 2–300 K indicate an overall weak antiferromagnetic exchange coupling in all complexes. The PHI program was used to study their magnetic behaviour. In agreement with their face-sharing dicubane structure, a Hamiltonian of the type H =– J 1 (S 1 S 2 +S 1 S 2’ +S 1' S 2 +S 1' S 2’ ) – J 2 S 1 S 1’ , where S 1 = S 1’ = S 2 = S 2’ = S Cu =1/2, was used for studying and . Simulations performed suggest magnetic exchange constants with values close to J 1 =−20 cm −1 and J 2 =0 cm -1 for these complexes. On the other hand, the spin Hamiltonian H =– J 1 (S 1 S 4 +S 2 S 3 ) – J 2 (S 1 S 3 +S 2 S 4 ) – J 3 S 1 S 2 , where S 1 = S 2 = S 3 = S 4 = S Cu =1/2, was used to study the magnetic behaviour of the double open cubane core of and a good agreement between the experimental and simulated results was found by using the parameters g 1 = g 2 =2.20, g 3 = g 4 =2.18, J 1 =−36 cm -1 , J 2

The superconductor (Tl,Hg,Ca)2(Ba,Sr)2(Ca,Sr,Tl)Cu2O7.6

International Nuclear Information System (INIS)

Valldor, M.; Bryntse, I.; Morawski, A.

2002-01-01

In the title 2212-type superconductor (thallium mercury calcium barium strontium copper oxide), which contains both Tl and Hg in the charge reservoir (CR), Sr is located at both alkali-earth (AE) metal sites. Ca enters the CR at the same time as Tl shares the smaller AE site, which increases the apical Cu-Cu distance significantly. The structure causes the superconducting Cu-O layers to become significantly puckered. (orig.)

The mixed-valent copper thiolate complex hexakis{μ3-2-[(1,3-dimethylimidazolideneamino]benzenethiolato}dicopper(IItetracopper(I bis(hexafluoridophosphate acetonitrile disolvate dichloromethane disolvate

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Adam Neuba

2013-01-01

Full Text Available The molecular structure of the title compound, [Cu4ICu2II(C11H14N3S6](PF62·2CH3CN·2CH2Cl2, shows a mixed-valent copper(I/II thiolate complex with a distorted tetrahedral coordination of the CuI and CuII cations by one guanidine N atom and three S atoms each. Characteristic features of the Cu6S6 skeleton are a total of six chemically identical μ3-thiolate bridges and almost planar Cu2S2 units with a maximum deviation of 0.110 (1 Å from the best plane. Each Cu2S2 unit then shares common Cu–S edges with a neighbouring unit; the enclosed dihedral angle is 60.14 (2°. The geometric centre of the Cu6S6 cation lies on a crystallographic inversion centre. Cu—S bond lengths range from 2.294 (1 to 2.457 (1 Å, Cu—N bond lengths from 2.005 (3 to 2.018 (3 Å and the non-bonding Cu...Cu distances from 2.5743 (7 to 2.5892 (6 Å. C—H...F hydrogen-bond interactions occur between the PF6− anion and the complex molecule and between the PF6− anion and the acetonitrile solvent molecule.

Ab-initio atomic level stress and role of d-orbitals in CuZr, CuZn and CuY

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Ojha, Madhusudan; Nicholson, Don M.; Egami, Takeshi

2015-03-01

Atomic level stress offers a new tool to characterize materials within the local approximation to density functional theory (DFT). Ab-initio atomic level stresses in B2 structures of CuZr, CuZn and CuY are calculated and results are explained on the basis of d-orbital contributions to Density of States (DOS). The overlap of d-orbital DOS plays an important role in the relative magnitude of atomic level stresses in these structures. The trends in atomic level stresses that we observed in these simple B2 structures are also seen in complex structures such as liquids, glasses and solid solutions. The stresses are however modified by the different coordination and relaxed separation distances in these complex structures. We used the Locally Self-Consistent Multiple Scattering (LSMS) code and Vienna Ab-initio Simulation Package (VASP) for ab-initio calculations.

An experimental and theoretical study on the interaction of DNA and BSA with novel Ni2 +, Cu2 + and VO2 + complexes derived from vanillin bidentate Schiff base ligand

Science.gov (United States)

Dostani, Morteza; Kianfar, Ali Hossein; Mahmood, Wan Ahmad Kamil; Dinari, Mohammad; Farrokhpour, Hossein; Sabzalian, Mohammad R.; Abyar, Fatemeh; Azarian, Mohammad Hossein

2017-06-01

In this investigation, the structure of bidentate N,N-Schiff base ligand of vanillin, (E)-4-(((2-amino-5-nitrophenyl)imino)methyl)-2-methoxyphenol (HL) was determined by single crystal X-ray diffraction. The interaction of new [CuL2], [NiL2] and [VOL2] complexes with DNA and BSA was explored through UV-Vis and fluorescence spectroscopy. The electronic spectra changes displayed an isosbestic point for the complexes upon titration with DNA. The Kb values for the complexes [CuL2], [NiL2] and [VOL2] were 2.4 × 105, 1.9 × 105 and 4.2 × 104, respectively. [CuL2] complex was bound more toughly than [NiL2] and [VOL2] complexes. These complexes had a significant interaction with Bovine Serum Albumin (BSA) and the results demonstrated that the quenching mechanism was a static procedure. Also, the complexes interacted with BSA by more than one binding site (n > 1). Finally, the theoretical studies were performed using the docking method to calculate the binding constants and recognize the binding site of the DNA and BSA with the complexes. The ligand and complexes including Ni2 +, Cu2 + and VO2 + ions were colonized by fungal growth.

Magnetic behavior in heterometallic one-dimensional chains or octanuclear complex regularly aligned with metal-metal bonds as -Rh-Rh-Pt-Cu-Pt

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Uemura, Kazuhiro

2018-06-01

Heterometallic one-dimensional chains, [{Rh2(O2CCH3)4}{Pt2Cu(piam)4(NH3)4}]n(PF6)2n (1 and 2, piam = pivalamidate) and [{Rh2(O2CCH3)4}{Pt2Cu(piam)4(NH3)4}2](CF3CO2)2(ClO4)2·2H2O (3), are paramagnetic one-dimensional chains or octanuclear complexes that are either aligned as -Rh-Rh-Pt-Cu-Pt- (1 and 2) or as Pt-Cu-Pt-Rh-Rh-Pt-Cu-Pt (3) with metal-metal bonds. Compounds 1-3 have rare structures, from the standpoint of that the paramagnetic species of Cu atoms are linked by direct metal-metal bonds. Magnetic susceptibility measurements for 1-3 performed at temperatures of 2 K-300 K indicated that the unpaired electrons localize in the Cu 3dx2-y2 orbitals, where S = 1/2 Cu(II) atoms are weakly antiferromagnetically coupled with J = -0.35 cm-1 (1), -0.47 cm-1 (2), and -0.45 cm-1 (3).

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

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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.

Aminoalcohols and benzoates-friends or foes? Tuning nuclearity of Cu(ii) complexes, studies of their structures, magnetism, and catecholase-like activities as well as performing DFT and TDDFT studies.

Science.gov (United States)

Sama, Farasha; Dhara, Ashish Kumar; Akhtar, Muhammad Nadeem; Chen, Yan-Cong; Tong, Ming-Liang; Ansari, Istikhar A; Raizada, Mukul; Ahmad, Musheer; Shahid, M; Siddiqi, Zafar A

2017-08-14

Herein, the coordination chemistry of a series of Cu(ii) complexes of various aminoalcohol and benzoate ligands was explored. The pH-dependent reactions of copper(ii) salts with propanolamine (Hpa), N-methyl diethanolamine (H 2 mdea), triethanolamine (H 3 tea), and n butyl-diethanolamine (H 2 budea) were carried out in the presence of various benzoates (benzoic acid, 2-hydroxy benzoic acid, 4-hydroxy benzoic acid, 3-methoxy benzoic acid, and 4-methoxy benzoic acid). The resulting complexes [Cu 2 (pa) 2 (benzoate) 2 ] (1), [Cu 2 (pa) 2 (3-methoxybenzoate) 2 ] (2), [Cu 2 (pa) 2 (4-methoxybenzoate) 2 ] (3), [Cu 2 (H 2 tea) 2 (benzoate) 2 ]·2H 2 O (4), [Cu 2 (H 2 tea) 2 (2-hydroxybenzoate) 2 ]·2H 2 O (5), [Cu 2 (H 3 tea) 2 (4-hydroxybenzoate) 2 ][Cu(Htea) 2 ]·2H 2 O (6), [Cu(H 2 mdea) 2 ][benzoate] 2 (7), [Cu(H 2 mdea) 2 ][4-methoxybenzoate] 2 (8), [Cu(H 2 bdea) 2 ][2-hydroxybenzoate] 2 (9), [Cu 2 (benzoate) 4 (benzoic acid) 2 ] (10), [Cu 2 (4-methoxybenzoate) 4 (CH 3 CN) 2 ]·4CH 3 CN (11) and [Cu 3 (H 2 tea) 2 (benzoate) 2 (NO 3 ) 2 ] (12) were formed as mono-, di- or trinuclear entities depending upon the pH conditions of the reaction. The complexes were characterized employing spectral, magnetic, single-crystal X-ray and DFT/TDDFT studies. 7 and 8 exhibited emission peaks at 510 and 460 nm, respectively, in the solid-state photoluminescence (PL) spectra. The temperature variable magnetic properties of 1-12 revealed the presence of antiferromagnetic (in 1-3 and 7-11) or ferromagnetic interactions (in 4-6 and 12) with Curie constants C = 0.24 (7), 0.28 (8) or 0.35 cm 3 K mol -1 (9) and Weiss constants θ = -0.34 (7), -0.32 (8) or -0.40 (9) K for the mononuclear complexes. The dinuclear complexes demonstrated J values of -89.2(2) (1), -71.1(3) (2), -59.6(1) (3), 98(1) (4), 79.1(2) (5), -85.4(2) (10) and -89.5(2) (11) cm -1 . Strong ferromagnetic interactions were observed in the case of 6 (J = 172(3) cm -1 and zJ' = 2.3(2) cm -1 ), which were comparable with those

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

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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.

Kinetic studies of the impact of thiocyanate moiety on the catalytic properties of Cu(II) and Fe(III) complexes of a new Mannich base

Science.gov (United States)

Ayeni, Ayowole O.; Watkins, Gareth M.

2018-04-01

Four new metal complexes of a novel Mannich base 5-methyl-2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)phenol (HL) have been prepared. The compounds were characterized by an array of analytical and spectroscopic methods including Nuclear Magnetic Resonance, Infra-red and UV-Visible spectroscopy. Compounds 1-4 behaved as effective catalysts towards the oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC) to its corresponding quinone in the presence of molecular oxygen in DMF solution while compound 4 proved to be the best catalyst with a turnover rate of 17.93 ± 1.10 h-1 as other complexes showed lower rates of oxidation. Also with the exception of dinuclear iron complex (4); thiocyanate containing Cu(II) complex exhibited lower catecholase activity compared to the Cu(II) complex without it.

Operations and Performance of RHIC as a Cu-Cu Collider

CERN Document Server

Pilat, Fulvia Caterina; Bai, Mei; Barton, Donald; Beebe-Wang, Joanne; Blaskiewicz, Michael; Brennan, Joseph M; Bruno, Donald; Cameron, Peter; Connolly, Roger; De Long, Joseph; Drees, Angelika; Fischer, Wolfram; Ganetis, George; Gardner, Chris J; Glenn, Joseph; Harvey, Margaret; Hayes, Thomas; Hseuh Hsiao Chaun; Huang, Haixin; Ingrassia, Peter; Iriso, Ubaldo; Lee, Roger C; Litvinenko, Vladimir N; Luo, Yun; MacKay, William W; Marr, Gregory J; Marusic, Al; Michnoff, Robert; Montag, Christoph; Morris, John; Nicoletti, Tony; Oerter, Brian; Ptitsyn, Vadim; Roser, Thomas; Russo, Thomas; Sandberg, Jon; Satogata, Todd; Schultheiss, Carl; Tepikian, Steven; Tomas, Rogelio; Trbojevic, Dejan; Tsoupas, Nicholaos; Tuozzolo, Joseph; Vetter, Kurt; Zaltsman, Alex; Zeno, Keith; Zhang, S Y; Zhang, Wu

2005-01-01

The 5th year of RHIC operations, started in November 2004 and expected to last till June 2005, consists of a physics run with Cu-Cu collisions at 100 GeV/u followed by one with polarized protons at 100 GeV. We will address here overall performance of the RHIC complex used for the first time as a Cu-Cu collider, and compare it with previous operational experience with Au, PP and asymmetric d-Au collisions. We will also discuss operational improvements, such as a ?* squeeze to 85cm in the high luminosity interaction regions from the design value of 1m, system improvements and machine performance limitations, such as vacuum pressure rise, intra-beam scattering, and beam beam interaction.

The natural catalytic function of CuGE glucuronoyl esterase in hydrolysis of genuine lignin-carbohydrate complexes from birch

DEFF Research Database (Denmark)

Mosbech, Caroline; Holck, Jesper; Meyer, Anne S.

2018-01-01

Glucuronoyl esterases belong to carbohydrate esterase family 15 and catalyze de-esterification. Their natural function is presumed to be cleavage of ester linkages in lignin-carbohydrate complexes particularly those linking lignin and glucuronoyl residues in xylans in hardwood. Here, we show...... for the first time a detailed product profile of aldouronic acids released from birchwood lignin by a glucuronoyl esterase from the white-rot fungus Cerrena unicolor (CuGE). CuGE releases substrate for GH10 endo-xylanase which results in significantly increased product release compared to the action of endo......-xylanase alone. CuGE also releases neutral xylo-oligosaccharides that can be ascribed to the enzymes feruloyl esterase side activity as demonstrated by release of ferulic acid from insoluble wheat arabinoxylan. The data verify the enzyme's unique ability to catalyze removal of all glucuronoxylan associated...

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.

DFT predictions, synthesis, stoichiometric structures and anti-diabetic activity of Cu (II) and Fe (III) complexes of quercetin, morin, and primuletin

Science.gov (United States)

Jabeen, Erum; Janjua, Naveed Kausar; Ahmed, Safeer; Murtaza, Iram; Ali, Tahir; Masood, Nosheen; Rizvi, Aysha Sarfraz; Murtaza, Gulam

2017-12-01

The current study is aimed at the synthesis of Cu (II) and Fe (III) complexes of three flavonoids {morin (mor), quercetin (quer) and primuletin (prim)} and characterization through UV-Vis spectroscopy, cyclic voltammetry, FTIR, and thermal analysis. Structure prediction through DFT calculation was supported by experimental data. Benesi-Hildebrand equation was modified to function for 1:2 Cu-flavonoid and 1:3 Fe-flavonoid complexes. DFT predictions revealed that out of poly chelation sites present in morin and quercetin, 3-OH site was utilized as preferable chelation site while primuletin chelated through 5-OH position. In-vivo trials revealed the complexes to have better anti-diabetic potential than respective flavonoid. Fls/M-Fls proved as antagonistic to Alloxan induced diabetes and also retained anti-diabetic activity even in the presence of (2-hydroxypropyl)-β-cyclodextrin (HPβCD).

Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.

Science.gov (United States)

Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro

2006-04-03

Reactions of CuX2.nH2O with the biscarboxylate ligand XDK (H2XDK = m-xylenediamine bis(Kemp's triacid imide)) in the presence of N-donor auxiliary ligands yielded a series of dicopper(II) complexes, [Cu2(mu-OH)(XDK)(L)2]X (L = N,N,N',N'-tetramethylethylenediamine (tetmen), X = NO3 (1a), Cl (1b); L = N,N,N'-trimethylethylenediamine (tmen), X = NO3 (2a), Cl (2b); L =2,2'-bipyridine (bpy), X = NO3 (3); L = 1,10-phenanthroline (phen), X = NO3 (4); L = 4,4'-dimethyl-2,2'-bipyridine (Me2bpy), X = NO3 (5); L = 4-methyl-1,10-phenanthroline (Mephen), X = NO3 (6)). Complexes 1-6 were characterized by X-ray crystallography (Cu...Cu = 3.1624(6)-3.2910(4) A), and the electrochemical and magnetic properties were also examined. Complexes 3 and 4 readily reacted with diphenyl phosphoric acid (HDPP) or bis(4-nitrophenyl) phosphoric acid (HBNPP) to give [Cu2(mu-phosphate)(XDK)(L)2]NO3 (L = bpy, phosphate = DPP (11); L = phen, phosphate = DPP (12), BNPP (13)), where the phsophate diester bridges the two copper ions in a mu-1,3-O,O' bidentate fashion (Cu...Cu = 4.268(3)-4.315(1) A). Complexes 4 and 6 with phen and Mephen have proven to be good precursors to accommodate a series of sugar monophosphate esters (Sugar-P) onto the biscarboxylate-bridged dicopper centers, yielding [Cu2(mu-Sugar-P)(XDK)(L)2] (Sugar-P = alpha-D-Glc-1-P (23a and b), D-Glc-6-P (24a and b), D-Man-6-P (25a), D-Fru-6-P (26a and b); L = phen (a), Mephen (b)) and [Cu2(mu-Gly-n-P)(XDK)(Mephen)2] (Gly-n-P = glycerol n-phosphate; n = 2 (21), 3 (22)), where Glc, Man, and Fru are glucose, mannose, and fructose, respectively. The structure of [Cu2(mu-MNPP)(XDK)(phen)2(CH3OH)] (20) was characterized as a reference compound (H2MNPP = 4-nitrophenyl phosphoric acid). Complexes 4 and 6 also reacted with d-fructose 1,6-bisphosphate (D-Fru-1,6-P2) to afford the tetranuclear copper(II) complexes formulated as [Cu4(mu-D-Fru-1,6-P2)(XDK)2(L)4] (L = phen (27a), Mephen (27b)). The detailed structure of 27a was determined by X

Cu(II complexes of an ionic liquid-based Schiff base [1-{2-(2-hydroxy benzylidene amino ethyl}-3-methyl­imidazolium]Pf6: Synthesis, characterization and biological activities

Directory of Open Access Journals (Sweden)

Saha Sanjoy

2015-01-01

Full Text Available Two Cu(II complexes of an ionic liquid based Schiff base 1-{2-(2-hydroxybenzylideneamino ethyl}-3-methylimidazolium hexaflurophosphate, were prepared and characterized by different analytical and spectroscopic methods such as elemental analysis, magnetic susceptibility, UV-Vis, IR, NMR and mass spectroscopy. The Schiff base ligand was found to act as a potential bidentate chelating ligand with N, O donor sites and formed 1:2 metal chelates with Cu(II salts. The synthesized Cu(II complexes were tested for biological activity.

Synthesis and structural characterization of ternary Cu (II) complexes of glycine with 2,2'-bipyridine and 2,2'-dipyridylamine. The DNA-binding studies and biological activity.

Science.gov (United States)

Mohamed, Mervat S; Shoukry, Azza A; Ali, Ayat G

2012-02-01

In this study two new complexes [Cu(bpy)(Gly)Cl]·2H(2)O (1) and [Cu(dpa)(Gly)Cl]·2H(2)O (2) (bpy=2,2'-bipyridine; dpa=2,2'-dipyridylamine, Gly=glycine) have been synthesized and characterized by elemental analysis, IR, TGA, UV-vis and magnetic susceptibility measurements. The binding properties of the complexes with CT-DNA were investigated by electronic absorption spectra. The intrinsic binding constants (K(b)) calculated from UV-vis absorption studies were 1.84 × 10(3) M(-1) and 3.1 × 10(3) M(-1) for complexes 1 and 2 respectively. Thermal denaturation has been systematically studied by spectrophotometric method and the calculated ΔT(m) was nearly 5 °C for each complex. All the results suggest that the interaction modes between the complexes and CT-DNA were electrostatic and/or groove binding. The redox behavior of the two complexes was investigated by cyclic voltammetry. Both complexes, in presence and absence of CT-DNA show a quasi-reversible wave corresponding to Cu(II)/Cu(I) redox couple. The change in E(1/2), ΔE and I(pc)/I(pa) ascertain the interaction of complexes 1 and 2 with CT-DNA. Further insight into the binding of complexes with CT-DNA has been made by gel electrophoresis, where the binding of complexes is confirmed through decreasing the mobility and intensity of DNA bands. In addition, the antitumor activity of the complexes was tested on two cancer cell lines; the breast cancer (MCF7) and the human hepatocellular carcinoma (HEPG2), as well as one normal cell line; the human normal melanocytes (HFB4). The results showed that complex 1 was more potent antitumor agent than complex 2. The in-vitro antimicrobial activity of the two complexes was carried out using the disc diffusion method against different species of pathogenic bacteria and fungi. The activity data showed that complex 2 was more active in inhibiting the growth of the tested organisms. Copyright © 2011 Elsevier B.V. All rights reserved.

First-principles-based analysis of the influence of Cu on CdTe electronic properties

International Nuclear Information System (INIS)

Krasikov, D.; Knizhnik, A.; Potapkin, B.; Selezneva, S.; Sommerer, T.

2013-01-01

The maximum voltage of CdTe solar cells is limited by low majority carrier concentration and doping difficulty. Copper that enters from the back contact can form both donors and acceptors in CdTe. It is empirically known that the free carrier concentration is several orders lower than the total Cu concentration. Simplified thermodynamic models of defect compensation after Cu introduction can be found in literature. We present a first-principles-based analysis of kinetics of defect formation upon Cu introduction, and show that Cu i is mobile at room temperature. Calculations of properties of Cu i –V Cd and Cu i –Cu Cd complexes show that the neutral Cu i –Cu Cd complex is mobile at elevated temperatures, while formation of the V Cd –Cu i complex is unlikely because it transforms into the Cu Cd defect. - Highlights: ► First-principles calculations of copper defects in CdTe are performed. ► Formation of Cd vacancy + Cu interstitial(Cu i ) complex is unlikely. ► Cu i defect is mobile at room temperature. ► Cu i + Cu on Cd-site (Cu Cd ) complex is mobile at elevated temperature. ► Cu Cd defect forms by kicking-out of the regular lattice Cd by Cu i

CuX2络合物催化甲基丙烯酸甲酯的氧化聚合%CuX2 COMPLEX-CATALYZED OXIDATIVE POLYMERIZATIONS OF METHYL METHACRYLATE

Institute of Scientific and Technical Information of China (English)

孙燕; 孙晋; 宋瑾; 黄文艳; 蒋必彪; 翟光群

2011-01-01

Oxidative polymerizations of methyl methacrylate ( MMA) catalyzed by complexes of transition metal halides in high oxidation states were investigated. First, CuBr2/2, 2'-bipyridine ( bPy)-catalyzed oxidative polymerizations of MMA in the presence of poly (2-( N, iV-dimethylamino) ethyl methacrylate) were performed in different solvents. When cyclohexanone was used as a solvent, only poly ( methyl methacrylate) ( PMMA) was obtained, suggesting redox initiation between CuBr2/bPy and tertiary amines in cyclohexanone is negligible. Second, oxidative polymerizations of MMA catalyzed by different complexes were carried out. Complexes of CuCl2 ,CuBr2 or FeCl3 with bPy,N,N,/V',N",/V"-pentamethyldiethylenetriamine or N,N,N',N'-tetramethylethylenediamine can catalyze oxidative polymerizations of MMA, and polymerization rates increased with the increase of the catalyst concentration. Molecular weight of PMMA increases with monomer conversions initially and maintains constant later. Last,atom transfer radical polymerization ( ATRP) chain extension using PMMA from the oxidative polymerizations at different conversions was performed. The results show the C-X functionality of PMMA chains at low conversion was also 100% ,and it decreased sharply with conversions. Two different mechanisms were conceived to contribute to the oxidative polymerization of MMA: (1) the complexes form ATRP initiators and catalysts with MMA via monomer addition, and then ATRP proceeds to give rise to PMMA chains with C-X terminal groups; (2) the complexes catalyze/initiate conventional free radical polymerizations of MMA.%研究了高氧化态过渡金属卤化物络合物催化甲基丙烯酸甲酯(MMA)的氧化聚合.首先在叔胺类聚合物存在条件下以CuBr2/2,2′-联吡啶(bPy)络合物催化MMA在不同溶剂中的氧化聚合,结果在环己酮中得到PMMA均聚物,CuBr2/bPy同叔胺的氧化还原引发可以忽略.随后在环己酮中分别以不同络合物催化MMA的氧化聚合.结果发现,Cu

Anthracyclines as radiosensitizers. A Cu(II) complex of a simpler analogue modifies DNA in Chinese Hamster V79 cells under low-dose γ radiation

International Nuclear Information System (INIS)

Saurabh Das; Mandal, P.C.

2014-01-01

Hydroxy-9,10-anthraquinones are structural analogues of anthracycline anticancer drugs showing similarity in physicochemical attributes, electrochemical behavior and biophysical interactions. 1,2-dihydroxy-9,10-anthraquinone (Q) and its complexes with Cu(II)/Ni(II) were studied for γ radiation induced modification of DNA in Chinese Hamster V79 cells. The amount of double stranded DNA remaining was ascertained by fluorometric analysis of DNA unwinding using ethidium bromide. Modification of double stranded DNA increased in the presence of Q and Cu(II)-Q when cells were irradiated (0-4.2 Gray). Ni(II)-Q was not that effective. Changing incubation time before recovery of DNA from cells there was evidence for DNA repair that was least for Cu(II)-Q treated cells. Minimum repair in case of Cu(II)-Q treated cells suggest the compound either assists radiation induced damage of agents responsible for repair or interacts with species like H 2 O 2 that assist in repair. Since a hydroxy-9,10-anthraquinone and its Cu(II) complex show radiosensitizing property, anthracyclines that contain a hydroxy-9,10-anthraquinone as the core moiety could also be tried as radiosensitizers in treating cancer. (author)

A theoretical investigation on the neutral Cu(I) phosphorescent complexes with azole-based and phosphine mixed ligand

Science.gov (United States)

Ding, Xiao-Li; Shen, Lu; Zou, Lu-Yi; Ma, Ming-Shuo; Ren, Ai-Min

2018-04-01

A theoretical study on a series of neutral heteroleptic Cu(I) complexes with different azole-pyridine-based N^N ligands has been presented to get insight into the effect of various nitrogen atoms in the azole ring on photophysical properties. The results reveal that the highest occupied molecular orbital (HOMO) levels and the emission wavelengths of these complexes are mainly governed by the nitrogen atom number in azole ring. With the increasing number of nitrogen atom , the electron density distribution of HOMO gradually extend from the N^N ligand to the whole molecule, meanwhile, the improved contribution from Cu(d) orbits in HOMO results in an effective mixing of various charge transfermodes, and hence, the fast radiative decay(kr) and the slow non-radiative decay rate(knr) are achieved. The photoluminescence quantum yield (PLQY) show an apparent dependence on the nitrogen atom number in the five-membered nitrogen heterocycles. However, the increasing number of nitrogen atoms is not necessary for increasing PLQY. The complex 3 with 1,2,4-triazole-pyridine-based N^N ligands is considered to be a potential emitter with high phosphorescence efficiency. Finally, we hope that our investigations will contribute to systematical understanding and guiding for material molecular engineering.

Combined experimental and theoretical approach to understand the reactivity of a mononuclear Cu(II)-hydroperoxo complex in oxygenation reactions.

Science.gov (United States)

Kamachi, Takashi; Lee, Yong-Min; Nishimi, Tomonori; Cho, Jaeheung; Yoshizawa, Kazunari; Nam, Wonwoo

2008-12-18

A copper(II) complex bearing a pentadentate ligand, [Cu(II)(N4Py)(CF(3)SO(3))(2)] (1) (N4Py = N,N-bis(2-pyridylmethyl)bis(2-pyridyl)methylamine), was synthesized and characterized with various spectroscopic techniques and X-ray crystallography. A mononuclear Cu(II)-hydroperoxo complex, [Cu(II)(N4Py)(OOH)](+) (2), was then generated in the reaction of 1 and H(2)O(2) in the presence of base, and the reactivity of the intermediate was investigated in the oxidation of various substrates at -40 degrees C. In the reactivity studies, 2 showed a low oxidizing power such that 2 reacted only with triethylphosphine but not with other substrates such as thioanisole, benzyl alcohol, 1,4-cyclohexadiene, cyclohexene, and cyclohexane. In theoretical work, we have conducted density functional theory (DFT) calculations on the epoxidation of ethylene by 2 and a [Cu(III)(N4Py)(O)](+) intermediate (3) at the B3LYP level. The activation barrier is calculated to be 39.7 and 26.3 kcal/mol for distal and proximal oxygen attacks by 2, respectively. This result indicates that the direct ethylene epoxidation by 2 is not a plausible pathway, as we have observed in the experimental work. In contrast, the ethylene epoxidation by 3 is a downhill and low-barrier process. We also found that 2 cannot be a precursor to 3, since the homolytic cleavage of the O-O bond of 2 is very endothermic (i.e., 42 kcal/mol). On the basis of the experimental and theoretical results, we conclude that a mononuclear Cu(II)-hydroperoxo species bearing a pentadentate N5 ligand is a sluggish oxidant in oxygenation reactions.

Polymerization of Methyl Methacrylate Catalyzed by Co(II), Cu(II), and Zn(II) Complexes Bearing N-Methyl-N-((pyridin-2-yl)methyl) cyclohexanamine

Energy Technology Data Exchange (ETDEWEB)

Ahn, Seoung Hyun; Lee, Hyosun [Kyungpook National University, Daegu (Korea, Republic of); Shin, Jongwon [POSTECH, Pohang (Korea, Republic of); Nayab, Saira [Shaheed Benazir Bhutto University, Sheringal (Pakistan)

2016-05-15

We demonstrated the synthesis and characterization of Co(II), Cu(II), and Zn(II) complexes ligated to N-methyl-N-((pyridin-2-yl)methyl)cyclohexanamine. The complex [Co(nmpc)Cl{sub 2}] in the presence of MMAO showed the highest catalytic activity for MMA polymerization at 60 °C compared with its Zn(II) and Cu(II) analogs. The metal center showed an obvious influence on the catalytic activity, although this appeared to have no effect on the stereo-regularity of the resultant PMMA. X-ray diffraction analysis revealed that [Co(nmpc)Cl{sub 2}] and [Zn(nmpc)Cl{sub 2}] crystallized in the monoclinic system with space group P2{sub 1}/c and existed as monomeric and solvent-free complexes.

Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework

Energy Technology Data Exchange (ETDEWEB)

Paul, Aparup [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721102, West Bengal (India); Bertolasi, Valerio [Dipartimento di Scienze Chimiche e Farmaceutiche, Centro di Strutturistica Diffrattometrica, Università di Ferrara, Via L. Borsari, 46, 44100 Ferrara (Italy); Figuerola, Albert [Departament de Química Inorgànica i Orgànica (Secció de Química Inorgànica) and Institut de Nanociència i Nanotecnologia (IN2UB), Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona (Spain); Manna, Subal Chandra, E-mail: scmanna@mail.vidyasagar.ac.in [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721102, West Bengal (India)

2017-05-15

Three novel tetranuclear copper(II) complexes namely [Cu{sub 4}(L{sup 1}){sub 4}]∙2(dmf) (1), [Cu{sub 4}(L{sup 1}){sub 4}] (2) and [Cu{sub 4}(L{sup 2}){sub 2}(HL{sup 2}){sub 2}(H{sub 2}O){sub 2}]∙2(ClO{sub 4})·6(H{sub 2}O) (3) (H{sub 2}L{sup 1}, (E)−2-((1-hydroxybutan-2-ylimino)methyl)phenol; H{sub 2}L{sup 2}, (E)−2-((1-hydroxybutan-2-ylimino)methyl)−6-methoxyphenol)) were synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligands. The structural determination reveals that crystallizes in the monoclinic system with space group C2/c, whereas both the and crystallize in the triclinic system with space group P-1. and possess face-sharing dicubane core, on the other hand complex 3 has double open cubane core structure. The copper(II) ions in the cubane core are in distorted square planar geometries, and weak π…π and C–H…π interactions lead to formation of a 2D supramolecular architecture for and . At room temperature and , exhibit fluorescence with a quantum yield (Φ{sub s}) of 0.47, 0.49 and 0.38, respectively. Variable temperature magnetic susceptibility measurements in the range 2–300 K indicate an overall weak antiferromagnetic exchange coupling in all complexes. The PHI program was used to study their magnetic behaviour. In agreement with their face-sharing dicubane structure, a Hamiltonian of the type H =– J{sub 1}(S{sub 1}S{sub 2}+S{sub 1}S{sub 2’}+S{sub 1'}S{sub 2}+S{sub 1'}S{sub 2’}) – J{sub 2}S{sub 1}S{sub 1’}, where S{sub 1} = S{sub 1’} = S{sub 2} = S{sub 2’} = S{sub Cu} =1/2, was used for studying and . Simulations performed suggest magnetic exchange constants with values close to J{sub 1} =−20 cm{sup −1} and J{sub 2} =0 cm{sup -1} for these complexes. On the other hand, the spin Hamiltonian H =– J{sub 1}(S{sub 1}S{sub 4}+S{sub 2}S{sub 3}) – J{sub 2}(S{sub 1}S{sub 3}+S{sub 2}S{sub 4}) – J{sub 3}S{sub 1}S{sub 2}, where S{sub 1} = S{sub 2} = S{sub 3} = S{sub 4

Controlled synthesis, formation mechanism, and carbon oxidation properties of Ho{sub 2}Cu{sub 2}O{sub 5} nanoplates prepared with a coordination-complex method

Energy Technology Data Exchange (ETDEWEB)

Guo, Rui [School of Resources and Materials, Northeastern University at Qinhuangdao 066004 (China); School of Metallurgy, Northeastern University, Shenyang 110004 (China); You, Junhua [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang 110870 (China); Han, Fei; Li, Chaoyang; Zheng, Guiyuan; Xiao, Weicheng [School of Resources and Materials, Northeastern University at Qinhuangdao 066004 (China); Liu, Xuanwen, E-mail: lxw@mail.neuq.edu.cn [School of Resources and Materials, Northeastern University at Qinhuangdao 066004 (China); School of Metallurgy, Northeastern University, Shenyang 110004 (China)

2017-02-28

Highlights: • The crystallization mechanism relies on Ho{sup 3+} and Cu{sup 2+} diffusion. • The Ho{sub 2}Cu{sub 2}O{sub 5} particles are refined by the coordination complex method under N{sub 2} environment. • The catalytic oxidation activity of Ho{sub 2}Cu{sub 2}O{sub 5} samples for carbon is enhanced. - Abstract: Ho{sub 2}Cu{sub 2}O{sub 5} nanoplates with perovskite structures were synthesized via a simple solution method (SSM) and a coordination-complex method (CCM) using [HoCu(3,4-pdc){sub 2}(OAc)(H{sub 2}O){sub 3}]·8H{sub 2}O (L = 3,4-pyridinedicarboxylic acid) as a precursor. The CCM was also performed in an N{sub 2} environment (CCMN) under various calcination conditions. The crystallization processes were characterized using X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy. Ho{sub 2}Cu{sub 2}O{sub 5} formed through the diffusion of CuO into Ho{sub 2}O{sub 3} particles. Cu{sup 2+} diffused faster than Ho{sup 3+} during this process. The initial products of CCMN (along with the thermal decomposition products) were initially laminarized in the N{sub 2} atmosphere, which prevented the growth of CuO particles and decreased the size of the Ho{sub 2}Cu{sub 2}O{sub 5} particles. The final Ho{sub 2}Cu{sub 2}O{sub 5} particles from CCMN had a nanoplate morphology with an average thickness of 75 nm. The decomposition of organic molecules and protection from N{sub 2} played important roles in determining the morphology of the resulting Ho{sub 2}Cu{sub 2}O{sub 5}. The catalytic oxidation activity of Ho{sub 2}Cu{sub 2}O{sub 5} samples for carbon was characterized using a specific surface area measurement and thermogravimetric analysis, which revealed that the samples produced by CCMN had the highest catalytic activity.

Comparing the characteristics of highly cited titles and highly alted titles

Energy Technology Data Exchange (ETDEWEB)

Didegah, F.; Bowman, T.D.; Bowman, S.; Hartley, J.

2016-07-01

This study examines differences in the types of titles for articles that show high altmetric activity (highly alted articles) versus highly cited articles. This work expands on previous research on document titles in combination with a grounded theory approach to develop a codebook in which articles were manually coded based on 11 characteristics. The results show that there are differences and similarities in titles across many of the examined characteristics; highly cited titles and highly mentioned titles on Wikipedia have some similar characteristics such as they have the the highest percentage of substantive words; in addition, there are no or very few titles referencing outside or with humor/lightness on both platforms. Twitter and Facebook also showed some similarities having the highest percentage of humorous/light titles and lowest percentage of substantive words in their titles. (Author)

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.

The complex structure of liquid Cu{sub 6}Sn{sub 5} alloy

Energy Technology Data Exchange (ETDEWEB)

Qin Jingyu; Gu Tingkun; Bian Xiufang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Southern Campus, Jinan 250061 (China); Liu Hui [Shandong High Performance Computing Center, Shandong University, Southern Campus, Jinan 250061 (China)

2009-04-15

By applying ab initio molecular dynamics simulation to liquid Cu{sub 6}Sn{sub 5} alloy, the hetero-coordination tendency is discovered by Bathia-Thornton partial correlation functions and a chemical short-range parameter. However the local structural environment of Sn in l-Cu{sub 6}Sn{sub 5} alloy resembles that of liquid Sn by Voronoi analysis. A new feature, i.e. a subpeak in between the first and second peaks, is discovered by the present method which implies that topologically disordered {beta}-Sn-type structural units may exist in l-Cu{sub 6}Sn{sub 5} alloy. The local density states of electrons show that both Cu-Sn and Sn-Sn bonding exist in l-Cu{sub 6}Sn{sub 5} alloy. This work suggests that chemical short-range order between unlike atoms and self-coordination between Sn atoms coexists in l-Cu{sub 6}Sn{sub 5} alloy.

Physical mechanisms of Cu-Cu wafer bonding

International Nuclear Information System (INIS)

Rebhan, B.

2014-01-01

Modern manufacturing processes of complex integrated semiconductor devices are based on wafer-level manufacturing of components which are subsequently interconnected. When compared with classical monolithic bi-dimensional integrated circuits (2D ICs), the new approach of three-dimensional integrated circuits (3D ICs) exhibits significant benefits in terms of signal propagation delay and power consumption due to the reduced metal interconnection length and allows high integration levels with reduced form factor. Metal thermo-compression bonding is a process suitable for 3D interconnects applications at wafer level, which facilitates the electrical and mechanical connection of two wafers even processed in different technologies, such as complementary metal oxide semiconductor (CMOS) and microelectromechanical systems (MEMS). Due to its high electrical conductivity, copper is a very attractive material for electrical interconnects. For Cu-Cu wafer bonding the process requires typically bonding for around 1 h at 400°C and high contact pressure applied during bonding. Temperature reduction below such values is required in order to solve issues regarding (i) throughput in the wafer bonder, (ii) wafer-to-wafer misalignment after bonding and (iii) to minimise thermo-mechanical stresses or device degradation. The aim of this work was to study the physical mechanisms of Cu-Cu bonding and based on this study to further optimise the bonding process for low temperatures. The critical sample parameters (roughness, oxide, crystallinity) were identified using selected analytical techniques and correlated with the characteristics of the bonded Cu-Cu interfaces. Based on the results of this study the impact of several materials and process specifications on the bonding result were theoretically defined and experimentally proven. These fundamental findings subsequently facilitated low temperature (LT) metal thermo-compression Cu-Cu wafer bonding and even room temperature direct

Influence of mechanical activation on the leaching of non-ferrous metals from a CuPbZn complex concentrate

Directory of Open Access Journals (Sweden)

Godoèíková Erika

2000-09-01

Full Text Available The aim of study was to research the procedures of copper, lead and zinc leaching from CuPbZn complex sulphide concentrate during the intervention of mechanical activation.Mechanical activation belongs to innovative procedures, which intensifies technological processes by means of creation of new surfaces and making defective structure of solid phase. Mechanical impact on the solid phase is a suitable procedure to ensure the mobility of its structure elements and to accumulate the mechanical energy that is later used in following processes of leaching.This paper deals with the intensification of the chloride and thiourea leaching of copper, lead and zinc from a CuPbZn complex concentrate of Hodruša-Hámre (Slovak deposit by using the mechanical activation in an attritor. Ferric chloride and thiourea were used as leaching reagents. The leaching of the concentrate with ferric chloride solution afforded 23 % recovery of Cu, 99 % of Pb and 28 % of Zn. 9 % recovery of Cu, 17 % of Pb and 3 % of Zn were achieved by the leaching with thiourea. Thus results showed that the extraction of Cu, Zn and also Pb in the case of thiourea leaching was low. The use of milling in the attritor as an innovation method of pretreatment leads to the structural degradation and increasing the surface area of the investigated concentrate from the original value of 0.18 m2g-1 to the maximum value of 4.67 m2g-1. This fact manifested itself in the subsequent process of extraction of Cu, Pb and Zn into the chloride and thiourea solutions. Our results indicate more effective leaching of pretreated concentrate in the chloride medium with recoveries of 84 % Zn and 100 % Pb. In thiourea, the recoveries for Zn and Pb were low, however 99 % Cu can be recovered. In regard to the economy, the extraction of Cu, Pb and Zn was studied in this work with the aspect of minimal energy consumption during milling. The maximum recoveries of non-ferrous metals in the solutions of ferric chloride

Synthesis, characterization, DNA/protein interaction and cytotoxicity studies of Cu(II) and Co(II) complexes derived from dipyridyl triazole ligands

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Zhang, Wei; Yao, Di; Wei, Yi; Tang, Jie; Bian, He-Dong; Huang, Fu-Ping; Liang, Hong

2016-06-01

Four different transition metal complexes containing dipyridyl triazole ligands, namely [Cu(abpt)2Cl2]·2H2O (1), [Cu(abpt)2(ClO4)2] (2), [Co2(abpt)2(H2O)2Cl2]·Cl2·4H2O (3) and [Co2(Hbpt)2(CH3OH)2(NO3)2] (4) have been designed, synthesized and further structurally characterized by X-ray crystallography, ESI-MS, elemental analysis, IR and Raman spectroscopy. In these complexes, the both ligands act as bidentate ligands with N, N donors. DNA binding interactions with calf thymus DNA (ct-DNA) of the ligand and its complexes 1 ~ 4 were investigated via electronic absorption, fluorescence quenching, circular dichroism and viscosity measurements as well as confocal Laser Raman spectroscopy. The results show these complexes are able to bind to DNA via the non-covalent mode i.e. intercalation and groove binding or electrostatic interactions. The interactions with bovine serum albumin (BSA) were also studied using UV-Vis and fluorescence spectroscopic methods which indicated that fluorescence quenching of BSA by these compounds was the presence of both static and dynamic quenching. Moreover, the in vitro cytotoxic effects of the complexes against four cell lines SK-OV-3, HL-7702, BEL7404 and NCI-H460 showed the necessity of the coordination action on the biological properties on the respective complex and that all four complexes exhibited substantial cytotoxic activity.

Carboxylate-bridged Cu(II) coordination polymeric complex ...

Indian Academy of Sciences (India)

SABITHAKALA THATITURI

and magnetic materials.10–13 In view of the interest- ing applications, the ... using Cu-Kα λ-radiation (λ = 1.5406Е) at 40 kV and 30. mA. Magnetic moments were ..... netic nature shifts slowly to hard ferromagnetic due to an increase in hopping ...

Reactions of green and black teas with Cu(II).

Science.gov (United States)

Goodman, B A; Ferreira Severino, J; Pirker, K F

2012-04-01

Electron paramagnetic resonance (EPR) measurements of the products of reactions between Cu(II) and samples of green and black teas showed spectral components from at least six different Cu(II) complexes with both tea types. Several of these complexes were common to both teas in spite of major differences in their polyphenol compositions. The pH range observed for complex formation, and the total signal intensity in the pH range 4-8, were greatly different from those for the reactions of Cu(II) with (-)-epigallocatechin gallate and gallic acid, the main polyphenols responsible for the free radical signals observed during oxidation of these beverages. Components with spectral parameters similar to those of Cu(II) complexes with theanine, the major amino acid in tea, may contribute to two of the spectra recorded under acidic conditions. However, the initial complexes formed at the lowest pH values investigated are still unidentified. EPR spectra with parameters consistent with Cu(II) polyphenol complexes were only observed under alkaline conditions, thus suggesting that components of tea other than polyphenols might be more important in reactions with copper, and possibly other transition metals, in solutions under physiological conditions. This journal is © The Royal Society of Chemistry 2012

Synthesis, structures and properties of Cu(II) and Mn(II) complexes with 1,10-phenanthroline-2-carboxylic acid and 2,2'-bipyridine ligands.

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Sun, Jingya; Xu, Huanzhi

2010-11-15

Four new 2,2'-bipyridine and 1,10-phenanthroline complexes, namely [Mn(phenca)(2)]·(H(2)O)(2) (1), [Cu(4)(phen)(4)(OH-)(4)(H(2)O)(2)](DMF)(4)(ClO(4)-)(4)(H(2)O) (2), [Cu(2)(2,2-bipy)(2)(C(2)O(4)2-)(H(2)O)(2)(NO(3))(2)] (3) and [Cu(2,2-bipy)(2)(ClO(4)-)](ClO(4)-) (4) (2,2'-bpy = 2,2'-bipyridine, Hphenca = 1,10-phenanthroline-2-carboxylic acid) have been synthesized by a hydrothermal reaction. The products were characterized by elemental analysis, infrared spectroscopy and X-ray crystal diffraction. While strong hydrogen bonds play central roles in the formation of the 3D structure, the combined influence of the weak interactions such as π···π interactions is also evident in the structures. A preliminary investigation on the ion exchange properties of the complexes is presented.

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.

Mass-spectrometric study of phosphorous amides and their Co(O), Mo(O), Ni(II), and Cu(I) complexes

International Nuclear Information System (INIS)

Nifant'ev, E.E.; Blokhin, Y.I.; Chikishev, Y.G.; Rozynov, B.V.; Teleshev, A.T.

1985-01-01

This article examines the performance of the mass-spectroscopic method in investigating allied comounds and original kigands. Apart from Cu(I) complexes, Co(O), Mo(O), and Ni(II) derivatives. The nature of the organophosphorus ligand is shown as having a substantial indluence on the structure of the cobalt complexes formed. The breakdown of the original ligands is accompanied by the initial breakage of the P-N bond. In the halide complexes first the metal is eliminated with the formation of the XhaL fragment, and the halogen is eliminated subsequently, but in the carbonyl derivatives the stagewise elimination of CO groups occurs with the subsequent elimination of the metal

Synthesis, Structural Characterization and Antimicrobial Activity of Cu(II and Fe(III Complexes Incorporating Azo-Azomethine Ligand

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Mohammad Azam

2018-04-01

Full Text Available We are reporting a novel azo-azomethine ligand, HL and its complexes with Cu(II and Fe(III ions. The ligand and its complexes are characterized by various physico-chemical techniques using C,H,N analyses, FT-IR, 1H-NMR, ESI-MS and UV-Vis studies. TGA analyses reveal complexes are sufficiently stable and undergo two-step degradation processes. The redox behavior of the complexes was evaluated by cyclic voltammetry. Furthermore, the ligand and its complexes were tested for antimicrobial activity against bacterial and fungal strains by determining inhibition zone, minimal inhibitory concentration (MIC and minimal bactericidal concentration (MBC. The complexes showed moderate antimicrobial activity when tested against Gram +ve and Gram −ve bacterial strains. To obtain insights into the structure of ligand, DFT studies are recorded. The results obtained are quite close to the experimental results. In addition, the energy gap, chemical hardness, softness, electronegativity, electrophilic index and chemical potential were calculated using HOMO, LUMO energy value of ligand.

Optical properties of CuCdTeO thin films sputtered from CdTe-CuO composite targets

Energy Technology Data Exchange (ETDEWEB)

Mendoza-Galván, A., E-mail: amendoza@qro.cinvestav.mx [Cinvestav-IPN, Unidad Querétaro, Libramiento Norponiente 2000, 76230 Querétaro (Mexico); Laboratory of Applied Optics, Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden); Arreola-Jardón, G. [Cinvestav-IPN, Unidad Querétaro, Libramiento Norponiente 2000, 76230 Querétaro (Mexico); Karlsson, L.H.; Persson, P.O.Å. [Thin Film Physics Division, Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden); Jiménez-Sandoval, S. [Cinvestav-IPN, Unidad Querétaro, Libramiento Norponiente 2000, 76230 Querétaro (Mexico)

2014-11-28

The effective complex dielectric function (ε) of Cu and O containing CdTe thin films is reported in the spectral range of 0.05 to 6 eV. The films were fabricated by rf sputtering from targets comprised by a mixture of CdTe and CuO powders with nominal Cu and O concentrations in the range of 2–10 at.%. Low concentration levels improved the crystalline quality of the films. Spectroscopic ellipsometry and transmittance measurements were used to determine ε. The critical point energies E{sub 1}, E{sub 1} + Δ{sub 1}, and E{sub 2} of CdTe are red-shifted with the incorporation of Cu and O. Also, an absorption band is developed in the infrared range which is associated with a mixture of CdTe and low resistivity phases Cu{sub 2−x}Te according to an effective medium analysis. The elemental distribution of the films was mapped by energy dispersive X-ray spectroscopy using scanning transmission electron microscopy. - Highlights: • Incorporation of 2 to 10 at.% of Cu and O atoms in CdTe films • Improved crystalline quality with 2 and 3 at.% of Cu and O • Complex dielectric function of Cu and O containing CdTe thin films • Effective medium modeling of below band-gap absorption.

Indigo Carmine-Cu complex probe exhibiting dual colorimetric/fluorimetric sensing for selective determination of mono hydrogen phosphate ion and its logic behavior

Science.gov (United States)

Tavallali, Hossein; Deilamy-Rad, Gohar; Moaddeli, Ali; Asghari, Khadijeh

2017-08-01

A new selective probe based on copper complex of Indigo Carmine (IC-Cu2) for colorimetric, naked-eye, and fluorimetric recognition of mono hydrogen phosphate (MHP) ion in H2O/DMSO (4:1 v/v, 1.0 mmol L- 1 HEPES buffer solution pH 7.5) was developed. Detection limit of HPO42 - determination, achieved by fluorimetric and 3lorimetric method, are 0.071 and 1.46 μmol L- 1, respectively. Potential, therefore is clearly available in IC-Cu2 complex to detect HPO42 - in micromolar range via dual visible color change and fluorescence response. Present method shows high selectivity toward HPO42 - over other phosphate species and other anions and was successfully utilized for analysis of P2O5 content of a fertilizer sample. The results obtained by proposed chemosensor presented good agreement with those obtained the colorimetric reference method. INHIBIT and IMPLICATION logic gates operating at molecular level have been achieved using Cu2 + and HPO42 - as chemical inputs and UV-Vis absorbance signal as output.

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.

Influence of citrate ions as complexing agent for electrodeposition of CuInSe{sub 2} thin films

Energy Technology Data Exchange (ETDEWEB)

Chraibi, F. [Universite Libre de Bruxelles (Belgium). Service de Sciences des Materiaux et Electrochimie; Universite Mohammed 5, Rabat (Morocco). Dept. de Physique; Fahoume, M.; Ennaoui, A. [Universite Mohammed 5, Rabat (Morocco). Dept. de Physique; Delplancke, J.L. [Universite Libre de Bruxelles (Belgium). Service de Sciences des Materiaux et Electrochimie

2001-08-16

The preparation of CuInSe{sub 2} thin films by electrodeposition is studied. The effect of sodium citrate (Na{sub 3}C{sub 6}H{sub 5}O{sub 7}) as complexing agent on the electrodeposition of pure copper, indium, selenium and of their ternary alloy is emphasized. Cathodic shifts of the copper and selenium electrodeposition potentials with increasing citrate concentration are observed. On the contrary, the presence of citrate in the electrolyte does not change the indium electrodeposition potential but improves its crystallinity. The surface morphology and the composition of the deposited films are characterized by scanning electron microscopy (SEM). The texture of the deposits and their compositions are analyzed by X-ray diffraction. The formation of CuInSe{sub 2} films with a chalcopyrite structure and good stoichiometry is observed. (orig.)

Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework

Science.gov (United States)

Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra

2017-05-01

Three novel tetranuclear copper(II) complexes namely [Cu4(L1)4]•2(dmf) (1), [Cu4(L1)4] (2) and [Cu4(L2)2(HL2)2(H2O)2]•2(ClO4)·6(H2O) (3) (H2L1, (E)-2-((1-hydroxybutan-2-ylimino)methyl)phenol; H2L2, (E)-2-((1-hydroxybutan-2-ylimino)methyl)-6-methoxyphenol)) were synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligands. The structural determination reveals that complex 1 crystallizes in the monoclinic system with space group C2/c, whereas both the complexes 2 and 3 crystallize in the triclinic system with space group P-1. Complexes 1 and 2 possess face-sharing dicubane core, on the other hand complex 3 has double open cubane core structure. The copper(II) ions in the cubane core are in distorted square planar geometries, and weak π…π and C-H…π interactions lead to formation of a 2D supramolecular architecture for complexes 1 and 2. At room temperature complexes 1, 2 and 3, exhibit fluorescence with a quantum yield (Φs) of 0.47, 0.49 and 0.38, respectively. Variable temperature magnetic susceptibility measurements in the range 2-300 K indicate an overall weak antiferromagnetic exchange coupling in all complexes. The PHI program was used to study their magnetic behaviour. In agreement with their face-sharing dicubane structure, a Hamiltonian of the type H =- J1(S1S2+S1S2'+S1'S2+S1'S2') - J2S1S1', where S1 = S1' = S2 = S2' = SCu =1/2, was used for studying complexes 1 and 2. Simulations performed suggest magnetic exchange constants with values close to J1 =-20 cm-1 and J2 =0 cm-1 for these complexes. On the other hand, the spin Hamiltonian H =- J1(S1S4+S2S3) - J2(S1S3+S2S4) - J3S1S2, where S1 = S2 = S3 = S4 = SCu =1/2, was used to study the magnetic behaviour of the double open cubane core of complex 3 and a good agreement between the experimental and simulated results was found by using the parameters g1 = g2 =2.20, g3 = g4 =2.18, J1 =-36 cm-1, J2 =-44 cm-1 and J3 =0 cm-1.

A new tridentate Schiff base Cu(II) complex: synthesis, experimental and theoretical studies on its crystal structure, FT-IR and UV-Visible spectra.

Science.gov (United States)

Saheb, Vahid; Sheikhshoaie, Iran; Setoodeh, Nasim; Rudbari, Hadi Amiri; Bruno, Giuseppe

2013-06-01

A new Cu(II) complex [Cu(L)(NCS)] has been synthesized, using 1-(N-salicylideneimino)-2-(N,N-methyl)-aminoethane as tridentate ONN donor Schiff base ligand (HL). The dark green crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FT-IR) and UV-Visible spectra. Electronic structure calculations at the B3LYP and MP2 levels of theory are performed to optimize the molecular geometry and to calculate the UV-Visible and FT-IR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TD-DFT) method is used to calculate the electronic transitions of the complex. A scaling factor of 1.015 is obtained for vibrational frequencies computed at the B3LYP level using basis sets 6-311G(d,p). It is found that solvent has a profound effect on the electronic absorption spectrum. The UV-Visible spectrum of the complex recorded in DMSO and DMF solution can be correctly predicted by a model in which DMSO and DMF molecules are coordinated to the central Cu atom via their oxygen atoms. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

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.

Influence of complexing agent (Na2EDTA on chemical bath deposited Cu4SnS4 thin films

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Anuar Kassim

2010-08-01

Full Text Available The quality of thin film is influenced by the presence of complexing agents such as Na2EDTA. The Cu4SnS4 thin films were deposited onto indium tin oxide glass substrate by chemical bath deposition method. The structural, morphological and optical properties of the deposited films have been studied using X-ray diffraction, atomic force microscopy and UV-Vis spectrophotometer, respectively. The XRD data showed that the films have a polycrystalline and orthorhombic structure. It also indicated that the most intense peak at 2 θ = 30.2° which belongs to (221 plane of Cu4 SnS4. The film deposited with 0.05 M Na2 EDTA showed good uniformity, good surface coverage with bigger grains and produced higher absorbance value. The band gap energy varies with the variation of Na2EDTA concentration which ranging from 1.56-1.60 eV. Deposition at concentration of 0.05 M Na2EDTA proved to offer a reasonably good Cu4SnS4 thin film.

Synthesis, Structures and Properties of Cu(II and Mn(II Complexes with 1,10-Phenanthroline-2-carboxylic acid and 2,2’-Bipyridine Ligands

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Huanzhi Xu

2010-11-01

Full Text Available Four new 2,2’-bipyridine and 1,10-phenanthroline complexes, namely [Mn(phenca2]·(H2O2 (1, [Cu4(phen4(OH-4(H2O2](DMF4(ClO4-4(H2O (2, [Cu2(2,2-bipy2(C2O42-(H2O2(NO32] (3 and [Cu(2,2-bipy2(ClO4-](ClO4- (4 (2,2’-bpy = 2,2’-bipyridine, Hphenca = 1,10-phenanthroline-2-carboxylic acid have been synthesized by a hydrothermal reaction. The products were characterized by elemental analysis, infrared spectroscopy and X-ray crystal diffraction. While strong hydrogen bonds play central roles in the formation of the 3D structure, the combined influence of the weak interactions such as π···π interactions is also evident in the structures. A preliminary investigation on the ion exchange properties of the complexes is presented.

Electrospray ionization mass spectrometric investigations of the complexation behavior of macrocyclic thiacrown ethers with bivalent transitional metals (Cu, Co, Ni and Zn).

Science.gov (United States)

Tsybizova, Alexandra; Tarábek, Ján; Buchta, Michal; Holý, Petr; Schröder, Detlef

2012-10-15

Heavy metals are both a problem for the environment and an important resource for industry. Their selective extraction by means of organic ligands therefore is an attractive topic. The coordination of three thiacrown ethers to late 3d-metal ions was investigated by a combination of electrospray ionization mass spectrometry (ESI-MS) and electron paramagnetic resonance (EPR). The mass spectrometric experiments were carried out in an ion trap mass spectrometer with an ESI source. Absolute binding constants were estimated by comparison with data for 18-crown-6/Na(+). EPR spectroscopy was used as a complementary method for investigating the Cu(I) /Cu(II) redox couple. The study found that thiacrown ethers preferentially bind traces of copper even at an excess of other metal ions (Co(II), Ni(II), and Zn(II)). The absolute association constants of the Cu(I) complexes were about 10(8) M(-1), and about two orders of magnitude lower for the other 3d-metal cations. The EPR spectra demonstrated that the reduction from Cu(II) to Cu(I) upon formation of the [(thiacrown)Cu](+) species takes place in solution. ESI-MS demonstrated that the three thiacrown ligands examined had high binding constants as well as good selectivities for copper(I) at low concentrations, and in the presence of other metal ions. By a combination of ESI-MS and EPR spectrometry it was shown that the reduction from Cu(II) to Cu(I) occurred in solution. Copyright © 2012 John Wiley & Sons, Ltd.

Synthesis and characterization of mixed ligand Cu(II) complexes of salicylic acid derivatives with 2-aminobenzotiyazol derivatives

OpenAIRE

İlkimen, Halil; Yenikaya, Cengiz

2018-01-01

In thisstudy, mixed ligand transitionmetal complexes of Cu(II)have been prepared between salicylic acid derivatives [salicylic acid (H2sal) or acetylsalicylic acid (Hasal)] and 2-aminobenzothiazole derivatives[2-aminobenzothiazole (abt) or 2-amino-6-chlorobenzothiazole (Clabt) or2-amino-6-methylbenzothiazole (Meabt)]. The structures of amorphous metalcomplexes have been proposed by evaluating the data obtained from elementalanalysis, ICP-OES, FT-IR, UV-Vis, thermal analysis, magnetic suscepti...

Aging of a complex Al-Cu based alloy modified by microalloying

International Nuclear Information System (INIS)

Maksimovic, Vesna; Jovanovic, Milan T.; Radmilovic, Velimir; Nikolic, Ruzica

2003-01-01

The results of the effect of small addition (0.25 at.%) of Ge on aging kinetics of a complex aluminum alloy containing (wt.%) 5.9% Cu, 0.28% Si and 0.6% (total amount of Fe, Ti, Mn, Zr and V) are presented in this paper. Aging was performed at 190 o C in the interval ranging from 10min to 256h. Hardness measurements, light (LM), transmission electron microscopy (TEM) and differential scanning calorimetry (DSC) were used for microstructural characterization during aging. It was shown that the maximum of hardness in alloy containing Ge was achieved three times faster than in the alloy without Ge. TEM results clearly revealed that the accelerated kinetics should be ascribed to heterogeneously nucleated Si-Ge particles serving as sites for dense and fine distribution of θ' strengthening precipitates. Accelerated kinetics of aging was accompanied by increase in hardness. (Original)

Effect of the competition of Cu(II) and Ni(II) on the kinetic and thermodynamic stabilities of Cr(III)-organic ligand complexes using competitive ligand exchange (EDTA).

Science.gov (United States)

Cunha, Graziele da Costa; Goveia, Danielle; Romão, Luciane Pimenta Cruz; de Oliveira, Luciana Camargo

2015-05-01

The effect of competition of Cu(II) and Ni(II) on the kinetic stability of Cr(III) complexed with natural organic matter (NOM) was characterized using EDTA exchange with single-stage tangential-flow ultrafiltration. For a water sample from Serra de Itabaiana, 3% of spiked Cr(III) was exchanged, while for a sample from the Itapanhaú River, 7, 10, 10, and 21% was exchanged in experiments using Cr(III) alone and in combination with Cu(II), Ni(II), or Cu(II) + Ni(II), respectively. Times required to reach exchange equilibrium with EDTA were less than 360 min. The influence of competition from Ni(II) and Cu(II) on the availability of complexed Cr(III) was low, demonstrating preference of the ligand sites for Cr(III). This was correlated with sample humification, as confirmed by EPR and (13)C NMR analyses. Exchange efficiency was in the order Cu > Ni > Cr, and the process could be readily described by first order kinetics, with average rate constants of 0.35-0.37 h(-1). Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis, spectral, antitumor, antioxidant and antimicrobial studies on Cu(II), Ni(II) and Co(II) complexes of 4-[(1H-Benzoimidazol-2-ylimino)-methyl]-benzene-1,3-diol.

Science.gov (United States)

El-wakiel, Nadia; El-keiy, Mai; Gaber, Mohamed

2015-08-05

A new Schiff base of 2-aminobenzimidazole with 2,4-dihydroybezaldehyde (H₃L), and its Cu(II), Ni(II) and Co(II) complexes have been synthesized and characterized by elemental analyses, molar conductance, thermal analysis (TGA), inductive coupled plasma (ICP), magnetic moment measurements, IR, EI-mass, UV-Vis. and ESR spectral studies. On the basis of spectral studies and analytical data, it is evident that the Schiff base acts as dibasic tridentate ligand coordinating via deprotonated OH, NH and azomethine nitrogen atom. The results showed that Co(II) and Ni(II) complexes have tetrahedral structure while Cu(II) complexes has octahedral geometry. The kinetic and thermodynamic parameters of the thermal decomposition stages have been evaluated. The studied complexes were tested for their in vitro antimicrobial activities against some bacterial strains. The anticancer activity of the ligand and its metal complexes is evaluated against human liver Carcinoma (HEPG2) cell. These compounds exhibited a moderate and weak activity against the tested HEPG2 cell lines with IC₅₀ of 9.08, 18.2 and 19.7 μg/ml for ligand, Cu(II) and Ni(II) complexes, respectively. In vitro antioxidant activity of the newly synthesized compounds has also been evaluated. Copyright © 2015 Elsevier B.V. All rights reserved.

Indigo Carmine-Cu complex probe exhibiting dual colorimetric/fluorimetric sensing for selective determination of mono hydrogen phosphate ion and its logic behavior.

Science.gov (United States)

Tavallali, Hossein; Deilamy-Rad, Gohar; Moaddeli, Ali; Asghari, Khadijeh

2017-08-05

A new selective probe based on copper complex of Indigo Carmine (IC-Cu 2 ) for colorimetric, naked-eye, and fluorimetric recognition of mono hydrogen phosphate (MHP) ion in H 2 O/DMSO (4:1v/v, 1.0mmolL -1 HEPES buffer solution pH7.5) was developed. Detection limit of HPO 4 2- determination, achieved by fluorimetric and 3 lorimetric method, are 0.071 and 1.46μmolL -1 , respectively. Potential, therefore is clearly available in IC-Cu 2 complex to detect HPO 4 2- in micromolar range via dual visible color change and fluorescence response. Present method shows high selectivity toward HPO 4 2- over other phosphate species and other anions and was successfully utilized for analysis of P 2 O 5 content of a fertilizer sample. The results obtained by proposed chemosensor presented good agreement with those obtained the colorimetric reference method. INHIBIT and IMPLICATION logic gates operating at molecular level have been achieved using Cu 2+ and HPO 4 2- as chemical inputs and UV-Vis absorbance signal as output. Copyright © 2017. Published by Elsevier B.V.

Synthesis and characterization of monomeric and polymeric Cu(II) complexes of 3,4-ethylenedioxythiophene-functionalized with cyclam ligand

International Nuclear Information System (INIS)

Velauthamurty, Kuhamoorthy; Higgins, Simon J.; Rajapakse, R.M. Gamini; Bandara, H.M.N.; Shimomura, Masaru

2010-01-01

A functionalized EDOT derivative with 1,4,8,11-tetraazacyclotetradecane (cyclam) ligand pendant to the ethylene bridge (4) and its complexes [M(4)(BF 4 ) 2 ], where M(II) = Cu(II), was prepared and characterized. Their electrochemical copolymerization with EDOT was studied. The electro-co-polymerized films were characterized by electrochemical methods, X-ray photoelectron spectroscopy and by X-ray fluorescence spectroscopy. The co-polymerization method was found to afford a good control of the metal concentration in the polymer matrix and represents a good technique for preparing electronically conductive polymers containing redox-active metal complexes.

The Pathogenic A2V Mutant Exhibits Distinct Aggregation Kinetics, Metal Site Structure, and Metal Exchange of the Cu2+ -Aβ Complex

DEFF Research Database (Denmark)

Somavarapu, Arun Kumar; Shen, Fei; Teilum, Kaare

2017-01-01

2V. 1H NMR relaxation exhibits the same trend for the non-coordinating aromatic residues (A2T2V), and implies markedly faster inter-peptide Cu2+exchange for the A2V variant than for WT and A2T. We therefore hypothesize that component I of the Cu–Aβ complex is related to pathogenicity......A prominent current hypothesis is that impaired metal ion homeostasis may contribute to Alzheimer's disease (AD). We elucidate the interaction of Cu2+ with wild-type (WT) Aβ1–40 and the genetic variants A2T and A2V which display increasing pathogenicity as A2T2V. Cu2+ significantly extends...... the lag phase in aggregation kinetics, in particular for the pathogenic A2V variant. Additionally, a rapid, initial, low intensity ThT response is observed, possibly reflecting formation of Cu2+ induced amorphous aggregates, as supported by atomic force microscopy (AFM) and circular dichroism (CD...

Spectroscopic and DFT studies of flurbiprofen as dimer and its Cu(II) and Hg(II) complexes

Science.gov (United States)

Sagdinc, Seda; Pir, Hacer

2009-07-01

The vibrational study in the solid state of flurbiprofen and its Cu(II) and Hg(II) complexes was performed by IR and Raman spectroscopy. The changes observed between the IR and Raman spectra of the ligand and of the complexes allowed us to establish the coordination mode of the metal in both complexes. The comparative vibrational analysis of the free ligand and its complexes gave evidence that flurbiprofen binds metal (II) through the carboxylate oxygen. The fully optimized equilibrium structure of flurbiprofen and its metal complexes was obtained by density functional B3LYP method by using LanL2DZ and 6-31 G(d,p) basis sets. The harmonic vibrational frequencies, infrared intensities and Raman scattering activities of flurbiprofen were calculated by density functional B3LYP methods by using 6-31G(d,p) basis set. The scaled theoretical wavenumbers showed very good agreement with the experimental values. The electronic properties of the free molecule and its complexes were also performed at B3LYP/6-31G(d,p) level of theory. Detailed interpretations of the infrared and Raman spectra of flurbiprofen are reported. The UV-vis spectra of flurbiprofen and its metal complexes were also investigated in organic solvents.

Synthesis and studies on Cu(II), Co(II), Ni(II) complexes of Knoevenagel β-diketone ligands

Science.gov (United States)

Sumathi, S.; Tharmaraj, P.; Sheela, C. D.; Anitha, C.

2012-11-01

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, 1H NMR, Mass and ESR spectral studies. Conductivity measurements reveal that all the complexes are non-electrolytic in nature. Spectroscopic and other analytical data of the complexes suggest octahedral geometry for other metal(II) complexes. The redox behavior 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 the bacteria Pseudomonas aeruginosa, Escherichia coli and Staphylococcus aureus as well as the fungus Candida albicans by well diffusion method. The zone of inhibition value indicates that the most of 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 (L1-L3) was found to be considerable effect than that of urea and KDP (potassium dihydrogen phosphate).

Thermal, spectral, magnetic and biological studies of thiosemicarbazones complexes with metal ions: Cu(II), Co(II), Ni(II), Fe(III), Zn(II), Mn(II) and UO2(VI)

International Nuclear Information System (INIS)

Mashaly, M.M.; Seleem, H.S.; El-Behairy, M.A.; Habib, H.A.

2004-01-01

Thiosemicarbazones ligands, isatin-3-thiosemicarbazone(HIT) and N-acetylisatin-3-thiosemicarbazone (HAIT), which have tridentate ONN coordinating sites were prepared. The complexes of both ligands with Cu(II), Co(II), Ni(II), Fe(III), Zn(II), Mn(II) and UO 2 (VI) ions were isolated. The ligands and their metal complexes were characterized by elemental analysis, IR, UV-Vis and mass spectra, also by conductance, magnetic moment and TG-DSC measurements. All the transition metal complexes have octahedral configurations, except Cu-complexes which have planar geometry and the UO 2 (VI) complexes which have coordination number 8 and may acquire the distorted dodecahedral geometry. Thermal studies explored the possibility of obtaining new complexes. Inversion from octahedral to square-planar configuration occurred upon heating the parent Ni-HIAT complex to form the corresponding pyrolytic product. The antifungal activity against the tested organisms showed that some metal complexes enhanced the activity with respect to the parent ligands. (author)

Spectroscopic Studies of a Three-dimensional, Five-coordinated Copper(Ⅱ) Complex via Hydrogen Bonds: [Cu(PDA)(H2O)2](H2PDA=Pyridine-2,6-dicarboxylic Acid)

Institute of Scientific and Technical Information of China (English)

无

2003-01-01

A new copper(Ⅱ) complex [Cu(PDA)(H2O)2] was synthesized and its structure was determined. Cu(Ⅱ) is five-coordinated in a tetragonal pyramid geometry. The two coordinating water molecules are different and the two Cu-O bond lengths differ by nearly 0.02 nm. The whole crystal is linked to form a three-dimensional network by means of hydrogen bonds. The X-band ESR spectrum shows three different g tensors with a well-resolved hyperfine structure in the gz signal, giving the ESR parameters gx=2.05, gy=2.065 and gz=2.29. The covalency of the coordinate bonds and the deviation from tetragonal pyramid geometry for the complex are discussed based on the ESR spectra.

Titulações potenciométricas de cátions metálicos tendo como eletrodo indicador o sistema Cu/Cu(II-EDTA Potentiometric titrations of metal cations with edta using the Cu/Cu(II-EDTA system as indicator electrode

Directory of Open Access Journals (Sweden)

Paulo H. Pereira da Silva

2008-01-01

Full Text Available In potentiometric titrations of metal cations with EDTA the Hg/HgY2- system is usually used to detect the end point. However, the use of mercury has been discouraged in analytical procedures due to its toxicity. In this work the Cu/CuY2- system was used as indicator electrode for potentiometric titrations of some metal cations with EDTA. The solutions of Cu2+, Cd2+, Mn2+, Co2+ and Zn2+ were titrated with Na2EDTA solution in the presence of a small concentration of the CuY2- complex using a copper wire as indicator electrode. The potentiometric titrations with the Cu/CuY2- system showed good correlation when compared with an Hg/HgY2- system.

Synthesis of Cu2O, CuCl, and Cu2OCl2 nanoparticles by ultrafast ...

Indian Academy of Sciences (India)

2014-02-13

Feb 13, 2014 ... 800 nm and ∼2 ps laser pulses. Cu2O NPs exhibited two-photon absorption at lower peak intensities while three-photon absorption was observed at higher peak intensities. Other samples exhibited two-photon absorption at all peak intensities. Keywords. Picosecond; laser ablation; copper complex; ...

Radical scavenging propensity of Cu2 +, Fe3 + complexes of flavonoids and in-vivo radical scavenging by Fe3 +-primuletin

Science.gov (United States)

Jabeen, Erum; Janjua, Naveed Kausar; Ahmed, Safeer; Murtaza, Iram; Ali, Tahir; Hameed, Shahid

2017-01-01

Cu2 + and Fe3 + complexes of three flavonoids (morin or mo, quercetin or quer and primuletin or prim) were synthesized with the objective of improving antioxidant capacities of flavonoids. The radical scavenging activities of pure flavonoids and their metal complexes were assayed to monitor their tendencies towards sequestering of radicals at physiological conditions. The scavenger potencies of metal-flavonoid complexes were significantly higher than those of the parent flavonoids. Further, influence of the solvent polarity on the radical capturing by flavonoids and their metal complexes was in favor for the polar solvent. Fe3 +-prim displayed its radical scavenging ability via up gradation of CAT and SOD activities in in-vivo antioxidant assays.

Investigation of CuI solubility in potassium metaniobate solution

International Nuclear Information System (INIS)

Tanirbergenov, B.

1980-01-01

The methods of solubility and potentiometry have been used to established the formation of the iodidometaniobate copper (1) complex [CuINbO 3 ] - in the case of CuI and KNbO 3 interaction. The data of the potentiometric method show the complex dissociation constant to be (0.9+-0.4)x10 -12

42 CFR 476.86 - Correlation of Title XI functions with Title XVIII functions.

Science.gov (United States)

2010-10-01

... 42 Public Health 4 2010-10-01 2010-10-01 false Correlation of Title XI functions with Title XVIII functions. 476.86 Section 476.86 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF...) Qio Review Functions § 476.86 Correlation of Title XI functions with Title XVIII functions. (a...

Should title lengths really adhere to the American Psychological Association's twelve word limit?

Science.gov (United States)

Hallock, Robert M; Dillner, Kari M

2016-04-01

The publication manual for the American Psychological Association (APA) suggests that title lengths do not exceed 12 words, yet journals do not prevent longer titles. Here, we examined title lengths in APA journals to see how many exceeded the APA's suggested limit. First, we conducted a systematic analysis of 235 articles in the current issues of 23 APA journals. A total of 52% of titles were more than 12 words long. Second, we examined articles from APA journals that were at least 50 years old to examine whether title lengths have changed over time. Our results suggested that the average title lengths have indeed increased with time. One of 2 courses should be taken. Perhaps science is becoming more complex that longer titles are needed in order to convey the primary message to the reader. If this is the case, then the APA's word limit should be increased. On the other hand, however, maybe editor and reviewers should try to enforce the current word limit to force writers to be succinct. Either way, editors should make their preferences clear so that the trend for longer titles does not continue unchecked. (c) 2016 APA, all rights reserved).

Development of a Novel Cu(II Complex Modified Electrode and a Portable Electrochemical Analyzer for the Determination of Dissolved Oxygen (DO in Water

Directory of Open Access Journals (Sweden)

Salvatore Gianluca Leonardi

2016-04-01

Full Text Available The development of an electrochemical dissolved oxygen (DO sensor based on a novel Cu(II complex-modified screen printed carbon electrode is reported. The voltammetric behavior of the modified electrode was investigated at different scan rates and oxygen concentrations in PBS (pH = 7. An increase of cathodic current (at about −0.4 vs. Ag/AgCl with the addition of oxygen was observed. The modified Cu(II complex electrode was demonstrated for the determination of DO in water using chronoamperometry. A small size and low power consumption home-made portable electrochemical analyzer based on custom electronics for sensor interfacing and operating in voltammetry and amperometry modes has been also designed and fabricated. Its performances in the monitoring of DO in water were compared with a commercial one.

Cu2+ in layered compounds: origin of the compressed geometry in the model system K2ZnF4:Cu2+.

Science.gov (United States)

Aramburu, J A; García-Lastra, J M; García-Fernández, P; Barriuso, M T; Moreno, M

2013-06-17

Many relevant properties (including superconductivity and colossal magnetoresistance) of layered materials containing Cu(2+), Ag(2+), or Mn(3+) ions are commonly related to the Jahn-Teller instability. Along this line, the properties of the CuF6(4-) complex in the K2ZnF4 layered perovskite have recently been analyzed using a parametrized Jahn-Teller model with an imposed strain [Reinen, D. Inorg. Chem.2012, 51, 4458]. Here, we present results of ab initio periodic supercell and cluster calculations on K2ZnF4:Cu(2+), showing unequivocally that the actual origin of the unusual compressed geometry of the CuF6(4-) complex along the crystal c axis in that tetragonal lattice is due to the presence of an electric field due to the crystal surrounding the impurity. Our calculations closely reproduce the experimental optical spectrum. The calculated values of the equilibrium equatorial and axial Cu(2+)-F(-) distances are, respectively, R(ax) = 193 pm and R(eq) = 204 pm, and so the calculated distortion R(ax) - R(eq) = 11 pm is three times smaller than the estimated through the parametrized Jahn-Teller model. As a salient feature, we find that if the CuF6(4-) complex would assume a perfect octahedral geometry (R(ax) = R(eq) = 203 pm) the antibonding a(1g)*(∼3z(2) - r(2)) orbital is placed above b(1g)*(∼x(2) - y(2)) with a transition energy E((2)A(1g) → (2)B(1g)) = 0.34 eV. This surprising fact stresses that about half the experimental value E((2)A(1g) → (2)B(1g)) = 0.70 eV is not due to the small shortening of the axial Cu(2+)-F(-) distance, but it comes from the electric field, E(R)(r), created by the rest of the lattice ions on the CuF6(4-) complex. This internal field, displaying tetragonal symmetry, is thus responsible for the compressed geometry in K2ZnF4:Cu(2+) and the lack of symmetry breaking behind the ligand relaxation. Moreover, we show that the electronic energy gain in this process comes from bonding orbitals and not from antibonding ones. The present

Solid Waste Operations Complex W-113, Detail Design Report (Title II). Volume 3: Specifications

International Nuclear Information System (INIS)

1995-09-01

The Solid Waste Retrieval Facility--Phase 1 (Project W113) will provide the infrastructure and the facility required to retrieve from Trench 04, Burial ground 4C, contact handled (CH) drums and boxes at a rate that supports all retrieved TRU waste batching, treatment, storage, and disposal plans. This includes (1) operations related equipment and facilities, viz., a weather enclosure for the trench, retrieval equipment, weighing, venting, obtaining gas samples, overpacking, NDE, NDA, shipment of waste and (2) operations support related facilities, viz., a general office building, a retrieval staff change facility, and infrastructure upgrades such as supply and routing of water, sewer, electrical power, fire protection, roads, and telecommunication. Title I design for the operations related equipment and facilities was performed by Raytheon/BNFL, and that for the operations support related facilities including infrastructure upgrade was performed by KEH. These two scopes were combined into an integrated W113 Title II scope that was performed by Raytheon/BNFL. Volume 3 is a compilation of the construction specifications that will constitute the Title II materials and performance specifications. This volume contains CSI specifications for non-equipment related construction material type items, performance type items, and facility mechanical equipment items. Data sheets are provided, as necessary, which specify the equipment overall design parameters

Solid Waste Operations Complex W-113, Detail Design Report (Title II). Volume 3: Specifications

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-09-01

The Solid Waste Retrieval Facility--Phase 1 (Project W113) will provide the infrastructure and the facility required to retrieve from Trench 04, Burial ground 4C, contact handled (CH) drums and boxes at a rate that supports all retrieved TRU waste batching, treatment, storage, and disposal plans. This includes (1) operations related equipment and facilities, viz., a weather enclosure for the trench, retrieval equipment, weighing, venting, obtaining gas samples, overpacking, NDE, NDA, shipment of waste and (2) operations support related facilities, viz., a general office building, a retrieval staff change facility, and infrastructure upgrades such as supply and routing of water, sewer, electrical power, fire protection, roads, and telecommunication. Title I design for the operations related equipment and facilities was performed by Raytheon/BNFL, and that for the operations support related facilities including infrastructure upgrade was performed by KEH. These two scopes were combined into an integrated W113 Title II scope that was performed by Raytheon/BNFL. Volume 3 is a compilation of the construction specifications that will constitute the Title II materials and performance specifications. This volume contains CSI specifications for non-equipment related construction material type items, performance type items, and facility mechanical equipment items. Data sheets are provided, as necessary, which specify the equipment overall design parameters.

Solid phase selective separation and preconcentration of Cu(II) by Cu(II)-imprinted polymethacrylic microbeads.

Science.gov (United States)

Dakova, Ivanka; Karadjova, Irina; Ivanov, Ivo; Georgieva, Ventsislava; Evtimova, Bisera; Georgiev, George

2007-02-12

Ion-imprinted polymer (IIP) particles are prepared by copolymerization of methacrylic acid as monomer, trimethylolpropane trimethacrylate as crosslinking agent and 2,2'-azo-bis-isobutyronitrile as initiator in the presence of Cu(II), a Cu(II)-4-(2-pyridylazo)resorcinol (Cu(II)-PAR) complex, and PAR only. A batch procedure is used for the determination of the characteristics of the Cu(II) solid phase extraction from the IIP produced. The results obtained show that the Cu(II)-PAR IIP has the greatest adsorption capacity (37.4 micromol g(-1) of dry copolymer) among the IIPs investigated. The optimal pH value for the quantitative preconcentration is 7, and full desorption is achieved by 1 M HNO(3). The selectivity coefficients (S(Cu/Me)) for Me=Ni(II), Co(II) are 45.0 and 38.5, respectively. It is established that Cu(II)-PAR IIPs can be used repeatedly without a considerable adsorption capacity loss. The determination of Cu(II) ions in seawater shows that the interfering matrix does not influence the preconcentration and selectivity values of the Cu(II)-PAR IIPs. The detection and quantification limits are 0.001 micromol L(-1) (3sigma) and 0.003 micromol L(-1) (6sigma), respectively.

Soil solution dynamics of Cu and Zn in a Cu- and Zn-polluted soil as influenced by gamma-irradiation and Cu-Zn interaction.

Science.gov (United States)

Luo, Y M; Yan, W D; Christie, P

2001-01-01

A pot experiment was conducted to study soil solution dynamics of Cu and Zn in a Cu/Zn-polluted soil as influenced by gamma-irradiation and Cu-Zn interaction. A slightly acid sandy loam was amended with Cu and Zn (as nitrates) either singly or in combination (100 mg Cu and 150 mg Zn kg(-1) soil) and was then gamma-irradiated (10 kGy). Unamended and unirradiated controls were included, and spring barley (Hordeum vulgare L. cv. Forrester) was grown for 50 days. Soil solution samples obtained using soil moisture samplers immediately before transplantation and every ten days thereafter were used directly for determination of Cu, Zn, pH and absorbance at 360 nm (A360). Cu and Zn concentrations in the solution of metal-polluted soil changed with time and were affected by gamma-irradiation and metal interaction. gamma-Irradiation raised soil solution Cu substantially but generally decreased soil solution Zn. These trends were consistent with increased dissolved organic matter (A360) and solution pH after gamma-irradiation. Combined addition of Cu and Zn usually gave higher soil solution concentrations of Cu or Zn compared with single addition of Cu or Zn in gamma-irradiated and non-irradiated soils, indicating an interaction between Cu and Zn. Cu would have been organically complexed and consequently maintained a relatively high concentration in the soil solution under higher pH conditions. Zn tends to occur mainly as free ion forms in the soil solution and is therefore sensitive to changes in pH. The extent to which gamma-irradiation and metal interaction affected solubility and bioavailability of Cu and Zn was a function of time during plant growth. Studies on soil solution metal dynamics provide very useful information for understanding metal mobility and bioavailability.

20 CFR 404.535 - How much will we withhold from your title VIII and title XVI benefits to recover a title II...

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false How much will we withhold from your title... Officer § 404.535 How much will we withhold from your title VIII and title XVI benefits to recover a title II overpayment? (a) If past-due benefits are payable to you, we will withhold the lesser of the...

Aminoacid N-substituted 1,4,7-triazacyclononane and 1,4,7,10-tetraazacyclododecane Zn2+, Cd2+ and Cu2+ complexes. A preparative, potentiometric titration and NMR spectroscopic study.

Science.gov (United States)

Plush, Sally E; Lincoln, Stephen F; Wainwright, Kevin P

2004-05-07

The pK(a)s and Zn2+, Cd2+ and Cu2+ complexation constants (K) for 1,4,7-tris[(2''S)-acetamido-2''-(methyl-3''-phenylpropionate)]-1,4,7-triazacyclononane, 1, 1,4,7-tris[(2''S)-acetamido-2''-(1''-carboxy-3''-phenylpropane)]-1,4,7-triazacyclononane, H(3)2, 1,4,7-tris[(2''S)-acetamido-2''-(methyl-3''-(1H-3-indolyl)propionate)]-1,4,7-triazacyclononane, 3, and 1,4,7,10-tetrakis[(2''S)-acetamido-2''-(methyl-3''-phenylpropionate)]-1,4,7,10-tetraazacyclododecane, 4, 1,4,7,10-tetrakis[(2''S)-acetamido-2''-(1''-carboxy-3''-phenylpropane)]-1,4,7,10-tetraazacyclododecane, H(4)5, in 20 : 80 v/v water-methanol solution are reported. The pK(a)s within the potentiometric detection range for H(3)1(3+) = 8.69 and 3.59, for H(6)2(3+) = 9.06, 6.13, 4.93 and 4.52, H(3)3(3+) = 8.79 and 3.67, H(4)4(4+) = 8.50, 5.62 and 3.77 and for H(8)5(4+) = 9.89, 7.06, 5.53, 5.46, 4.44 and 4.26 where each tertiary amine nitrogen is protonated. The complexes of 1: [Zn(1)]2+(9.00), [Cd(1)]2+ (6.49), [Cd(H1)]3+ (4.54) and [Cu(1)]2+ (10.01) are characterized by the log(K/dm3 mol(-1)) values shown in parentheses. Analogous complexes are formed by 3 and 4: [Zn(3)]2+ (10.19), [Cd(3)]2+ (8.54), [Cu(3)]2+ (10.77), [Zn(4)]2+ (11.41) [Cd(4)]2+ (9.16), [Cd(H4)]3+ (6.16) and [Cu(4)]2+ (11.71). The tricarboxylic acid H(3)2 generates a greater variety of complexes as exemplified by: [Zn(2)-] (10.68) [Zn(H2)] (6.60) [Zn(H(2)2)+] (5.15), [Cd(2)](-) (4.99), [Cd(H2)] (4.64), [Cd(H2(2))]+ (3.99), [Cd(H(3)2)]2+ (3.55), [Cu(2)](-) (12.55) [Cu(H2)] (7.66), [Cu(H(2)2)]+ (5.54) and [Cu(2)2](4-) (3.23). The complexes of H(4)5 were insufficiently soluble to study in this way. The 1H and 13C NMR spectra of the ligands are consistent with formation of a predominant Zn2+ and Cd2+ Delta or Lambda diastereomer. The preparations of the new pendant arm macrocycles H(3)2, 3, 4 and H(4)5 are reported.

Thermal Degradation of Complexes Derived from Cu (II) Groundnut (Arachis hypogaea) and Sesame (Sesamum indicum) Soaps

Science.gov (United States)

Joram, Anju; Sharma, Rashmi; Sharma, Arun kumar

2018-05-01

The complexes have been synthesized from Cu (II) soaps of groundnut (Arachis hypogaea) and sesame (Sesamum indicum) oils, with ligand containing nitrogen and sulfur atoms like 2-amino-6-methyl benzothiazole. The complexes were greenish brown in color. In order to study TGA, first characterized them by elemental analysis, and spectroscopic technique such as IR, NMR and ESR. From the analytical data, the stoichiometry's of the complexes have been observed to be 1:1 (metal:ligand). These complexes have been thermally analyzed using TGA techniques to determine their energy of activation. These complexes show three step thermal degradation corresponding to fatty acid components of the edible oils and each complex has three decomposition steps in the range of 439-738 K. Various equations like Coats-Redfern (CR), Horowitz-Metzger (HM) and Broido equations (BE) were applied to evaluate the energy of activation. The values of energy of activation are observed to be in the following order for both copper groundnut benzothiazole (CGB) and copper sesame benzothiazole (CSeB) complexes: CGB > CSeB. CGB is observed to be more stable than CSeB due to its higher activation energy. The above studies would provide significant information regarding the applications of synthesized agrochemicals and their safe removal through parameters obtained in degradation curves and its relation with energy.

Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl.

Science.gov (United States)

Derbel, Amira; Mhiri, Tahar; Graia, Mohsen

2015-10-01

In the title complex, chlorido-tetra-kis-(1H-imidazole-κN (3))cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the Co(II) cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepa et al. (2012 ▸). J. Mol. Struct. 1028, 49-56] and [Cu(Im)4Br]Br [Hossaini Sadr et al. (2004 ▸). Acta Cryst. E60, m1324-m1326]. In the crystal, the [CoCl(C3H4N2)4](+) cations and Cl(-) anions are linked via N-H⋯Cl hydrogen bonds, forming layers parallel to (010). These layers are linked via C-H⋯Cl hydrogen bonds and C-H⋯π and π-π [inter-centroid distance = 3.794 (2) Å] inter-actions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an ortho-rhom-bic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1).

Density functional studies on the exchange interaction of a dinuclear Gd(iii)-Cu(ii) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations.

Science.gov (United States)

Rajaraman, Gopalan; Totti, Federico; Bencini, Alessandro; Caneschi, Andrea; Sessoli, Roberta; Gatteschi, Dante

2009-05-07

Density functional calculations have been performed on a [Gd(iii)Cu(ii)] complex [L(1)CuGd(O(2)CCF(3))(3)(C(2)H(5)OH)(2)] () (where L(1) is N,N'-bis(3-ethoxy-salicylidene)-1,2-diamino-2-methylpropanato) with an aim of assessing a suitable functional within the DFT formalism to understand the mechanism of magnetic coupling and also to develop magneto-structural correlations. Encouraging results have been obtained in our studies where the application of B3LYP on the crystal structure of yields a ferromagnetic J value of -5.8 cm(-1) which is in excellent agreement with the experimental value of -4.42 cm(-1) (H = JS(Gd).S(Cu)). After testing varieties of functional for the method assessment we recommend the use of B3LYP with a combination of an effective core potential basis set. For all electron basis sets the relativistic effects should be incorporated either via the Douglas-Kroll-Hess (DKH) or zeroth-order regular approximation (ZORA) methods. A breakdown approach has been adopted where the calculations on several model complexes of have been performed. Their wave functions have been analysed thereafter (MO and NBO analysis) in order to gain some insight into the coupling mechanism. The results suggest, unambiguously, that the empty Gd(iii) 5d orbitals have a prominent role on the magnetic coupling. These 5d orbitals gain partial occupancy via Cu(ii) charge transfer as well as from the Gd(iii) 4f orbitals. A competing 4f-3d interaction associated with the symmetry of the complex has also been observed. The general mechanism hence incorporates both contributions and sets forth rather a prevailing mechanism for the 3d-4f coupling. The magneto-structural correlations reveal that there is no unique parameter which the J values are strongly correlated with, but an exponential relation to the J value found for the O-Cu-O-Gd dihedral angle parameter is the most credible correlation.

Thermodynamics and kinetics insight into reaction mechanism of Cu{sub 2}ZnSnSe{sub 4} nanoink based on binary metal-amine complexes in polyetheramine-synthesized process

Energy Technology Data Exchange (ETDEWEB)

Wang, Chi-Jie [Institute of Microelectronics and Department of Electrical Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Shei, Shih-Chang, E-mail: scshei@mail.nutn.edu.tw [Department of Electrical Engineering, National University of Tainan, 700, Taiwan, ROC (China); Chang, Shoou-Jinn [Institute of Microelectronics and Department of Electrical Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China)

2016-08-15

This paper reports on the reaction mechanism of Cu{sub 2}ZnSnSe{sub 4} (CZTSe) nanoink via a solvent-thermal reflux method using copper (Cu), zinc (Zn), tin (Sn), and selenium (Se) powders as precursors and polyetheramine as a reaction solvent. The formation of CZTSe nanoparticles in polyetheramine began with the formation of binary phase CuSe and CuSe{sub 2} due to the strong catalysis provided by polyetheramine. Finally, ternary crystals of Cu{sub 2}SnSe{sub 3} transformed into well-dispersed nanocrystals of Cu{sub 2}ZnSnSe{sub 4}. The size of the crystals was shown to decrease with reaction time due to the emulsification effect of the polyetheramine epoxy group. The PH value-reaction time curves for single Cu, Zn elements and CZTSe from all participants elements reacted together have a relationship just reversed each other and both multistage feature were observed, which indicates that the CZTSe reaction was dominated by copper and zinc elements. The PH-temperature mechanism demonstrates that the reaction was controlled by the formation of metal-amine complexes, especially, after heating the PH-time variation manner is the same for pure element and all four elements reacted together. To the best of our knowledge, this is the first study on the mechanism underlying CZTSe formation based on the reactivity and stability of reaction species. - Highlights: • Reaction mechanism of Cu{sub 2}ZnSnSe{sub 4} (CZTSe) nanoink via a solvent-thermal reflux method using polyetheramine was developed. • PH effect on thermal dynamics and characteristics of reagents and solvents in the CZTSe nanoink has been realized. • PH-temperature mechanism demonstrates that the reaction controlled by the formation of metal-amine complexes.

Inhomogeneous Low Frequency Spin Dynamics in La1.65Eu0.2Sr0.15CuO4

International Nuclear Information System (INIS)

Curro, N. J.; Hammel, P. C.; Suh, B. J.; Huecker, M.; Buechner, B.; Ammerahl, U.; Revcolevschi, A.

2000-01-01

We report Cu and La nuclear magnetic resonance measurements in the title compound that reveal an inhomogeneous glassy behavior of the spin dynamics. A low temperature peak in the La spin lattice relaxation rate and the ''wipeout'' of Cu intensity both arise from these slow electronic spin fluctuations that reveal a distribution of activation energies. Inhomogeneous slowing of spin fluctuations appears to be a general feature of doped lanthanum cuprate. (c) 2000 The American Physical Society

Conjugate additions of a simple monosilylcopper reagent with use of the CuI.DMS complex: stereoselectivities and a dramatic impact by DMS.

Science.gov (United States)

Dambacher, Jesse; Bergdahl, Mikael

2005-01-21

Conjugate additions utilizing the simple monosilylcuprate reagent Li[PhMe2SiCuI] to alpha,beta-unsaturated carbonyl compounds are described. The presence of dimethyl sulfide (DMS), either as a component originating from the (CuI)4(DMS)3 complex or as a solvent added, has an amazing influence on both chemical yield and the level of diastereomeric ratio (dr) of the products. Gilman-type silylcyanocuprates {Li(Ph2MeSi)2Cu/LiCN} have previously been used to guarantee good results in conjugate addition reactions. External additives such as HMPA, tributylphosphine, or dialkylzinc are not necessary in conjunction with the simple Li[PhMe2SiCuI] reagent. It is demonstrated that the monosilylcuprate reagent with DMS as the solvent is very useful with sterically hindered (beta,beta-disubstituted) enones, and provides very high yields of the beta-silylated 1,4-addition products. Since there is no oligomerization problem associated with the simple monosilylcuprate reagent, this reagent should be considered as a very useful 1,4-silyl donor to enals, enones, and enoates in conjugate addition reactions.

Modeling Photoelectron Spectra of CuO, Cu2O, and CuO2 Anions with Equation-of-Motion Coupled-Cluster Methods: An Adventure in Fock Space.

Science.gov (United States)

Orms, Natalie; Krylov, Anna I

2018-04-12

The experimental photoelectron spectra of di- and triatomic copper oxide anions have been reported previously. We present an analysis of the experimental spectra of the CuO - , Cu 2 O - , and CuO 2 - anions using equation-of-motion coupled-cluster (EOM-CC) methods. The open-shell electronic structure of each molecule demands a unique combination of EOM-CC methods to achieve an accurate and balanced representation of the multiconfigurational anionic- and neutral-state manifolds. Analysis of the Dyson orbitals associated with photodetachment from CuO - reveals the strong non-Koopmans character of the CuO states. For the lowest detachment energy, a good agreement between theoretical and experimental values is obtained with CCSD(T) (coupled-cluster with single and double excitations and perturbative account of triple excitations). The (T) correction is particularly important for Cu 2 O - . Use of a relativistic pseudopotential and matching basis set improves the quality of results in most cases. EOM-DIP-CCSD analysis of the low-lying states of CuO 2 - reveals multiple singlet and triplet anionic states near the triplet ground state, adding an extra layer of complexity to the interpretation of the experimental CuO 2 - photoelectron spectrum.

Complex microwave conductivity of YBa2Cu3O7 in magnetic fields up to 500 T

International Nuclear Information System (INIS)

Bykov, A.I.; Dolotenko, M.I.; Fowler, C.M.; Freeman, B.L.; Goettee, J.D.; King, J.C.; Kolokolchikov, N.P.; Kudasov, Yu.B.; Lewis, W.; Marshall, B.R.; Papatheofanis, B.J.; Platonov, V.V.; Rodriguez, P.J.; Tatsenko, O.M.; Veeser, L.R.; Zerwekh, W.D.

1995-01-01

The complex microwave conductivity of thin, oriented YBa 2 Cu 3 O 7 films was measured at 94 GHz in pulsed, ultrahigh-magnetic fields up to 500 T. The c-axis of the film was perpendicular to the magnetic field. We estimate the upper critical field of the film at absolute zero as B c2 (0)=340±40 T. Dynamics of the transition into a normal state and connection with previous measurements of the reversibility line are discussed. (orig.)

Abbreviated Title of the Artwork in the System of Signs by Ch. Peirce

Directory of Open Access Journals (Sweden)

Grigoriy Valeryevich Tokarev

2015-09-01

Full Text Available The article is devoted to the semiotic aspect of the functioning of the abbreviated title of the postmodern artwork. The authors analyze the relationship of title-sign to the object which it replaces. The title is considered from the perspective of three main features peculiar of the sign in accordance with the Charles S. Peirce's theory. This fact allows us to conclude that, being a sign, the abbreviated title replaces a literary text, which is also expressed in symbolic form of the author's knowledge of reality. In this aspect the title becomes the metasign of its text. It is shown that in this connection, decoding and interpretation process take place in two stages – before reading the text and in the process of its reading and interpretation. It is alleged that the result of the interpretation of the title depends on the reader's competence which is determined by their individual literary scope, as well as by the skills of productive work with the text. On the basis of the classification of signs created by Charles Pierce, it was found that the abbreviated title has a complex semiotic nature combining the features of indexicality, conventionality, and iconicity, the latter of which may be present only in the abbreviated title.

Ab initio study of cubic complex Bi2CrCuO6 perovskite

International Nuclear Information System (INIS)

Fajardo, F.; Cardona, R.; Landinez Tellez, D.A.; Arbey Rodriguez M, J.; Roa-Rojas, J.

2008-01-01

We report a detailed calculation of the structural and electronic properties for the cubic complex Bi 2 CrCuO 6 perovskite material by density functional theory. The exchange-correlation potential was included through the generalized gradient approximation. From the adjusting of Murnaghan state equation to the energy as a function of volume data, we obtain an ideal lattice parameter of 7.763 A. The density of states study was carried out considering the two spin polarizations. Results reveal that this material behaves as a conductor to the spin-down polarization and evidence a semiconductor tendency to the spin-up configuration. This tendency to the half-metallicity character is corroborated by the integer number of magnetic moment (3.0 μ B ), which is attributed to the Cr-spin-up orbital contribution

Dissolved trace metal (Cu, Cd, Co, Ni, and Ag) distribution and Cu speciation in the southern Yellow Sea and Bohai Sea, China

Science.gov (United States)

Li, Li; Xiaojing, Wang; Jihua, Liu; Xuefa, Shi

2017-02-01

Trace metals play an important role in biogeochemical cycling in ocean systems. However, because the use of trace metal clean sampling and analytical techniques has been limited in coastal China, there are few accurate trace metal data for that region. This work studied spatial distribution of selected dissolved trace metals (Ag, Cu, Co, Cd, and Ni) and Cu speciation in the southern Yellow Sea (SYS) and Bohai Sea (BS). In general, the average metal (Cu, Co, Cd, and Ni) concentrations found in the SYS were lower by a factor of two than those in BS, and they are comparable to dissolved trace metal concentrations in coastal seawater of the United States and Europe. Possible sources and sinks and physical and biological processes that influenced the distribution of these trace metals in the study region were further examined. Close relationships were found between the trace metal spatial distribution with local freshwater discharge and processes such as sediment resuspension and biological uptake. Ag, owing to its extremely low concentrations, exhibited a unique distribution pattern that magnified the influences from the physical and biological processes. Cu speciation in the water column showed that, in the study region, Cu was strongly complexed with organic ligands and concentrations of free cupric ion were in the range of 10-12.6-10-13.2 mol L-1. The distribution of Cu-complexing ligand, indicated by values of the side reaction coefficient α', was similar to the Chl a distribution, suggesting that in situ biota production may be one main source of Cu-complexing organic ligand.

Cu(II), Zn(II)

African Journals Online (AJOL)

the kinetic parameters as order of decomposition reaction, activation energy and ..... Cu as anode material, K - alpha [Å] = 1.54060 and the generator settings 30 .... Calculated quantum chemical parameters for ligand and its metal complexes.

Synthesis, crystal structure and magnetic properties of [Cu(mal)(abpt ...

African Journals Online (AJOL)

Complex 1 consist of a neutral mononuclear [Cu(mal)(abpt)(H2O)] unit and water molecule of crystallization in a distorted square pyramidal coordination sphere, while complex 2 is viewed as being made up of [Cu(sq)(abpt)2] units with the squarato ligand bridging the two copper(II) cations. Variable temperature magnetic ...

Non-covalent interactions in 2-methylimidazolium copper(II) complex (MeImH)2[Cu(pfbz)4]: Synthesis, characterization, single crystal X-ray structure and packing analysis

Science.gov (United States)

Sharma, Raj Pal; Saini, Anju; Kumar, Santosh; Kumar, Jitendra; Sathishkumar, Ranganathan; Venugopalan, Paloth

2017-01-01

A new anionic copper(II) complex, (MeImH)2 [Cu(pfbz)4] (1) where, MeImH = 2-methylimidazolium and pfbz = pentafluorobenzoate has been isolated by reacting copper(II) sulfate pentahydrate, pentafluorobenzoic acid and 2-methylimidazole in ethanol: water mixture in 1:2:2 molar ratio. This complex 1 has been characterized by elemental analysis, thermogravimetric analysis, spectroscopic techniques (UV-Vis, FT-IR) and conductance measurements. The complex salt crystallizes in monoclinic crystal system with space group C2/c. Single crystal X-ray structure determination revealed the presence of discrete ions: [Cu(pfbz)4]2- anion and two 2-methylimidazolium cation (C4H7N2)+. The crystal lattice is stabilized by strong hydrogen bonding and F⋯F interactions between cationic-anionic and the anionic-anionic moieties respectively, besides π-π interactions.

Removal of Cu(II) in water by polymer enhanced ultrafiltration: Influence of polymer nature and pH.

Science.gov (United States)

Kochkodan, Olga D; Kochkodan, Viktor M; Sharma, Virender K

2018-01-02

This study presents an efficient removal of Cu(II) in water using the polymer enhanced ultrafiltration (PEUF) method. Polymer of different molecular weight (MW) (polyethyleneimine (PEI), sodium lignosulfonates (SLS) and dextrans) were investigated to evaluate efficiency in removal of Cu(II) in water by the PEUF method. The decomposition of Cu(II)-polymer complex was also evaluated in order to reuse polymers. Cu(II) complexation depends on the MW of chelating polymer and the pH of feed solution. It was found that the Cu(II) rejection increased with the polymer dosage with high removal of Cu(II) when using PEI and SLS at a 10:20 (mg/mg) ratio ([Cu(II)]:[polymer]). It was found that the maximum chelating capacity was 15 mg of Cu(II) per 20 mg of PEI. The Cu(II)-PEI complex could be decomposed by acid addition and the polymer could be efficiently reused with multiple complexation-decomplexation cycles. A conceptual flow chart of the integrated process of efficient removal of Cu(II) by PEUF method is suggested.

The complex ac susceptibility of superconducting Y-Ba-CuO thin film and bulk samples

International Nuclear Information System (INIS)

Lobotka, P.; Goemoery, F.

1988-01-01

Complex ac susceptibility measurements as function of temperature on Y-Ba-CuO superconductors are reported. A strong dependence of the susceptibility curves on the ac field magnitude and little influence of the superimposed dc field are observed on both, thin film and bulk samples. The susceptibilities of these materials are frequency independent in the range 30 to 7200 Hz what demonstrates the negligible role of eddy currents. A second peak in the imaginary part of susceptibility is observed in the bulk sample at higher levels of ac field. This implies the existence of another component in the sample with higher T c and lower losses. (author)

Hydrothermal preparation and physicochemical studies of new copper nano-complexes for antitumor application

Science.gov (United States)

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

2018-03-01

Two novel nano-complexes [(Cu)2(L) (NO3)2(OH2)] (CuH) and [Cu(HL) (OH2)2(NO3)] (CuCTH)were synthesized by hydrothermal method at 200 °C for 48 h in absence and presence of surfactant (CTAB), respectively. Introducing surfactant (CTAB) leads to changing stoichiometric metal/ligand ratio from binuclear (CuH) to mononuclear (CuCTH) nano-complexes. CuH shows irregular nano-flake shape while CuCTH have separately uniform nano-spherical morphology. Thermal analysis revealed that CuCTH is thermally stable in comparison with CuH Nano-complex. CuCTH absorption peak shifted to shorter wavelength (blue shift) and sharpness of the peak also decreased in presence of CTAB. The role of CTAB in the crystal growth is discussed. CuH and CuCTH nano-complexes were tested for their in vitro cytotoxicity against Ehrlich Ascites Carcinoma cell line (E.A.C.). Both nano-complexes effectively inhibited E.A.C. growth with IC50value of 37 and 25 μM for CuH and CuCTH, respectively. The high antitumor activity of CuCTH was attributed to several factors such as spherical morphology, smaller size, chemical structure, and geometry. The LD50 for high cytotoxic CuCTH nano-complex on mice was found to be 100 mg/kg with strong abscess in abdomen side effect. To overcome this side effect, different molar ratio of CuCTH and previously prepared ZnNano-complexes were tested for their in vitrocytotoxicity and in vivo toxicity. Obtained results show that the 2:8 M ratio between CuCTH and Zn nano-complexes gives very low toxicity without any side effects. Also, geometric optimization and conformational analysis were performed using semi-empirical PM3 method. Energy gap (ΔE), dipole moment, and structure activity relationship were performed and discussed.

Uranium hetero-bimetallic complexes: synthesis, structure and magnetic properties; Complexes heterobimetalliques de l'uranium: synthese, structure et proprietes magnetiques

Energy Technology Data Exchange (ETDEWEB)

Le Borgne, Th

2000-10-04

The aim of this thesis is to synthesize molecular complexes with uranium and transition metal ions in close proximity, to determine the nature of the magnetic interaction between them. We decided to use Schiff bases as assembling ligands, which are unusual for uranium (IV). Although the simplest Schiff bases, such as H{sub 2}Salen, lead to ligand exchange reactions, the bi-compartmental Schiff base H{sub 4}L{sup 6} (bis(3-hydroxy-salicylidene) - 2,2-dimethyl-propylene) allows the crystal structure determination of the complex [L{sup 6}Cu(pyr)]U[L{sup 6}Cu].2pyr, obtained by reaction of the metallo-ligand H{sub 2}L{sup 6}Cu with U(acac){sub 4}. In this manner, the complexes [L{sup 6}Co(pyr)]{sub 2}U and [L{sup 6}Ni(pyr)]{sub 2}U.pyr were also isolated, as well as the compounds in which the paramagnetic ions have been exchanged by the diamagnetic ions Zn{sup II}, Zr{sup IV} and Th{sup IV}': [L{sup 6}Zn(pyr)]{sub 2}U, [L{sup 6}Cu]{sub 2}Zr and [L{sup 6}Cu(pyr)]Th[L{sup 6}Cu].2pyr. These complexes are the first which involve three metallic centres assembling by the means of a hexa-dentate Schiff base. The crystalline structures show, for all these complexes, the outstanding orthogonal arrangement of the two fragments L{sup 6}M around the central atom which is in a dodecahedral environment of eight oxygen atoms of two Schiff bases. The syntheses of the isostructural complexes Cu2{sup II} and Zn{sub 2}U in which the uranium (IV) ion is close, in the first one, to the paramagnetic ion Cu{sup II} and, in the second one, to the diamagnetic ion Zn{sup II}, has allowed the use of the empiric method to determine the nature of the magnetic interaction between an f element and a transition metal. The comparison of the magnetic behaviour of two complexes Cu{sub 2}U and Zn{sub 2}U, expressed by the variation of {chi}T vs T, reveals the ferromagnetic interaction in the heart of the triad Cu-U-Cu. The magnetic behaviour of the complexes Cu{sub 2}Th et Cu{sub 2}Zr which does not

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.

The in vivo behavior of copper-64-labeled azamacrocyclic complexes

International Nuclear Information System (INIS)

Jones-Wilson, Teresa M.; Deal, Kim A.; Anderson, Carolyn J.; McCarthy, Deborah W.; Kovacs, Zoltan; Motekaitis, Ramunas J.; Sherry, A. Dean; Martell, Arthur E.; Welch, Michael J.

1998-01-01

The use of copper radioisotopes in imaging and therapy applications has created a greater need for bifunctional chelates (BFCs) for complexing copper radioisotopes to biomolecules. It has been demonstrated that the charge and lipophilicity of the Cu-BFC complex has a significant effect on the in vivo behavior of the radiolabeled Cu-BFC-biomolecule conjugate. To evaluate the effects of charge, stability, and macrocyclic backbone size on the biological behavior of 64 Cu complexes, a series of macrocyclic 64 Cu complexes have been prepared, and the biodistributions of these agents were evaluated in normal Sprague-Dawley rats. Two macrocyclic backbones, dodecane and tetradecane, were evaluated; cyclen, DOTA, and DO2A were dodecane backbone derivatives, and cyclam, TETA, and et-cyclam were tetradecane backbone derivatives. The biodistributions of the 64 Cu-labeled complexes correlated with differences in the size of the macrocycle backbone and the formal charge of the complex. All compounds showed uptake and clearance through the liver and kidneys; however, the positively charged 64 Cu complexes showed significantly higher uptake in both of these organs than did the negatively charged or neutral complexes. 64 Cu-TETA, a negatively charged complex with the tetradecane backbone, had the most efficient clearance by 24 hours' postinjection. These data suggest that negatively charged complexes may have more favorable clearance properties when used as BFCs

New alternative methods of analyzing human behavior in cued target acquisition.

Science.gov (United States)

Maltz, Masha; Shinar, David

2003-01-01

Target acquisition tasks in natural environments are often augmented by cuing systems that advise human observers during the decision process. With present technological limitations, cuing systems are imperfect, so the question arises whether cuing aids should be implemented under all conditions. We examined target acquisition performance under different levels of task complexity and cuing system reliability. We introduce here two new methods to help define observer behavior trends in cued target acquisition: a quantitative measure of observer search behavior in a temporal sense and a measure of the extent of observer reliance on the cue. We found that observer reliance on the cue correlated with task difficulty and the perceived reliability of the cue. Cuing was generally helpful in complex tasks, whereas cuing reduced performance in easy tasks. Consequently, cuing systems should be implemented only when the task is difficult enough to warrant the intrusion of a cue into the task. Actual or potential applications of this research include the design and implementation of imperfect automated aids dealing with augmented reality.

Browse Title Index

African Journals Online (AJOL)

2004): Special Issue 2004, Differential production of immune parameters by mouse strains ... agglutination and complement fixation tests in the field diagnosis ... List All Titles · Free To Read Titles This Journal is Open Access.

Antibacterial Co(II, Ni(II, Cu(II and Zn(II complexes with biacetyl-derived Schiff bases

Directory of Open Access Journals (Sweden)

MUHAMMAD IMRAN

2010-08-01

Full Text Available The condensation reactions of biacetyl with ortho-hydroxyaniline and 2-aminobenzoic acid to form bidendate NO donor Schiff bases were studied. The prepared Schiff base ligands were further utilized for the formation of metal chelates having the general formula [ML2(H2O2] where M = Co(II, Ni(II, Cu(II and Zn(II and L = HL1 and HL2. These new compounds were characterized by conductance measurements, magnetic susceptibility measurements, elemental analysis, and IR, 1H-NMR, 13C-NMR and electronic spectroscopy. Both Schiff base ligands were found to have a mono-anionic bidentate nature and octahedral geometry was assigned to all metal complexes. All the complexes contained coordinated water which was lost at 141–160 °C. These compounds were also screened for their in vitro antibacterial activity against four bacterial species, namely: Escherichia coli, Staphylococcus aureus, Salmonella typhi and Bacillus subtilis. The metal complexes were found to have greater antibacterial activity than the uncomplexed Schiff base ligands.

Compounds Containing Tetragonal Cu2+ Complexes: Is the dx2–y2–d3z2–r2 Gap a Direct Reflection of the Distortion?

DEFF Research Database (Denmark)

García-Fernández, Pablo; Barriuso, María Teresa; García Lastra, Juan Maria

2013-01-01

– complex. This internal field, especially important for layered compounds, is shown to explain all puzzling experimental facts on the d–d transitions of the studied systems and is of interest in the search of new Cu2+ and Ag2+ superconducting materials where a strong correlation between Δ...... to be not correct through the study of pure K2CuF4-, KCuF3-, and Cu2+-doped KZnF3 and K2ZnF4 model compounds. Indeed, ab initio calculations prove that Δ in these insulating materials also depends on the internal electric field created by the rest of lattice ions on active electrons confined in a given CuF64...

Copper(II)-bis(thiosemicarbazonato) complexes as anti-chlamydial agents.

Science.gov (United States)

Marsh, James W; Djoko, Karrera Y; McEwan, Alastair G; Huston, Wilhelmina M

2017-09-29

Lipophilic copper (Cu)-containing complexes have shown promising antibacterial activity against a range of bacterial pathogens. To examine the susceptibility of the intracellular human pathogen Chlamydia trachomatis to copper complexes containing bis(thiosemicarbazone) ligands [Cu(btsc)], we tested the in vitro effect of CuII-diacetyl- and CuII-glyoxal-bis[N(4)-methylthiosemicarbazonato] (Cu(atsm) and Cu(gtsm), respectively) on C. trachomatis. Cu(atsm) and to a greater extent, Cu(gtsm), prevented the formation of infectious chlamydial progeny. Impacts on host cell viability and respiration were also observed in addition to the Chlamydia impacts. This work suggests that copper-based complexes may represent a new lead approach for future development of new therapeutics against chlamydial infections, although host cell impacts need to be fully explored. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Synthesis and vibrational spectra of cooper(II) and erbium(III) complexes with 2-diazo[2'-(oxymethyldiphenylphosphinyl)phenyl]-4-tert-butylphenol (HL) - [CuL2]·2H2O and Er(NO3)3·2HL·2H2O. Crystal structure of [CuL2]·2H2O

International Nuclear Information System (INIS)

Tsivadze, A.Yu.; Minacheva, L.Kh.; Ivanova, I.S.; Pyatova, E.N.; Sergienko, V.S.; Baulin, V.E.

2008-01-01

Paper describes synthesis of CuL 2 ·2H 2 O (I) complex cupric salt and of Er(NO 3 ) 3 ·2HL·2H 2 O (II) erbium nitrate complex (HL=2-diazo-[2'(oxymethyl-diphenyl-phosphinyl)phenyl]-4-tert-butylphenol). One interprets the fundamental frequencies within the IR-spectra of (I) and (II) compounds. One has performed X-ray diffraction analysis of I compound. The crystals are monoclinic ones, a=15.157(3), b=17.080(2), c=22.451(9) A, β=106.09(3) Deg, V=5584(3) A 3 , Z=4, C2/c sp.gr., R=0.0546 as to 1152 reflections with I>2σ(I). The copper atom coordination polyhedron (C 2 symmetry) may be described as a symmetrically-prolonged square bipyramid (4+2). Cu polyhedron central square is formed by substituted phenol oxygen atom and by one of diazo-group nitrogen atoms of either of two deprotonated ligands, namely: L - (Cu-N 1.969(6), Cu-O 1.899(5) A). The angles between lying opposite O and N atoms constitute 157.6 Deg, while the rest equatorial angles range within 90.6 Deg-95.9 Deg. The axial positions are occupied by O(2) and O(2A) anisole atoms (Cu-O 2.737(6) A, O(2)Cu(1)O(2A) angle constitutes 132.3 Deg). Within crystal I the complex molecules and the crystallization molecules of water are combined by by the hydrogen bond system. According to the IR-spectra data, within complex II in contrast to compound I erbium atom coordination by HL ligand involves oxygen phosphoryl atom [ru

A new generative complexity science of learning for a complex pedagogy

NARCIS (Netherlands)

Jörg, T.

2007-01-01

Proposal for the SIG Chaos and Complexity Theories at AERA 2007 Title: A New Generative Complexity Science of Learning for a Complex Pedagogy Ton Jörg IVLOS Institute of Education University of Utrecht The Netherlands A.G.D.Jorg@ivlos.uu.nl Introduction My paper focuses on the link between thinking

Photochemical redox reactions of copper(II)-alanine complexes in aqueous solutions.

Science.gov (United States)

Lin, Chen-Jui; Hsu, Chao-Sheng; Wang, Po-Yen; Lin, Yi-Liang; Lo, Yu-Shiu; Wu, Chien-Hou

2014-05-19

The photochemical redox reactions of Cu(II)/alanine complexes have been studied in deaerated solutions over an extensive range of pH, Cu(II) concentration, and alanine concentration. Under irradiation, the ligand-to-metal charge transfer results in the reduction of Cu(II) to Cu(I) and the concomitant oxidation of alanine, which produces ammonia and acetaldehyde. Molar absorptivities and quantum yields of photoproducts for Cu(II)/alanine complexes at 313 nm are characterized mainly with the equilibrium Cu(II) speciation where the presence of simultaneously existing Cu(II) species is taken into account. By applying regression analysis, individual Cu(I) quantum yields are determined to be 0.094 ± 0.014 for the 1:1 complex (CuL) and 0.064 ± 0.012 for the 1:2 complex (CuL2). Individual quantum yields of ammonia are 0.055 ± 0.007 for CuL and 0.036 ± 0.005 for CuL2. Individual quantum yields of acetaldehyde are 0.030 ± 0.007 for CuL and 0.024 ± 0.007 for CuL2. CuL always has larger quantum yields than CuL2, which can be attributed to the Cu(II) stabilizing effect of the second ligand. For both CuL and CuL2, the individual quantum yields of Cu(I), ammonia, and acetaldehyde are in the ratio of 1.8:1:0.7. A reaction mechanism for the formation of the observed photoproducts is proposed.

Uranium hetero-bimetallic complexes: synthesis, structure and magnetic properties

International Nuclear Information System (INIS)

Le Borgne, Th.

2000-01-01

The aim of this thesis is to synthesize molecular complexes with uranium and transition metal ions in close proximity, to determine the nature of the magnetic interaction between them. We decided to use Schiff bases as assembling ligands, which are unusual for uranium (IV). Although the simplest Schiff bases, such as H 2 Salen, lead to ligand exchange reactions, the bi-compartmental Schiff base H 4 L 6 (bis(3-hydroxy-salicylidene) - 2,2-dimethyl-propylene) allows the crystal structure determination of the complex [L 6 Cu(pyr)]U[L 6 Cu].2pyr, obtained by reaction of the metallo-ligand H 2 L 6 Cu with U(acac) 4 . In this manner, the complexes [L 6 Co(pyr)] 2 U and [L 6 Ni(pyr)] 2 U.pyr were also isolated, as well as the compounds in which the paramagnetic ions have been exchanged by the diamagnetic ions Zn II , Zr IV and Th IV ': [L 6 Zn(pyr)] 2 U, [L 6 Cu] 2 Zr and [L 6 Cu(pyr)]Th[L 6 Cu].2pyr. These complexes are the first which involve three metallic centres assembling by the means of a hexa-dentate Schiff base. The crystalline structures show, for all these complexes, the outstanding orthogonal arrangement of the two fragments L 6 M around the central atom which is in a dodecahedral environment of eight oxygen atoms of two Schiff bases. The syntheses of the isostructural complexes Cu2 II and Zn 2 U in which the uranium (IV) ion is close, in the first one, to the paramagnetic ion Cu II and, in the second one, to the diamagnetic ion Zn II , has allowed the use of the empiric method to determine the nature of the magnetic interaction between an f element and a transition metal. The comparison of the magnetic behaviour of two complexes Cu 2 U and Zn 2 U, expressed by the variation of χT vs T, reveals the ferromagnetic interaction in the heart of the triad Cu-U-Cu. The magnetic behaviour of the complexes Cu 2 Th et Cu 2 Zr which does not show any coupling between the two copper (II) ions and the weak antiferromagnetic interaction in the Ni 2 U compound, favour the

Small changes in Cu redox state and speciation generate large isotope fractionation during adsorption and incorporation of Cu by a phototrophic biofilm

Science.gov (United States)

Coutaud, Margot; Méheut, Merlin; Glatzel, Pieter; Pokrovski, Gleb S.; Viers, Jérôme; Rols, Jean-Luc; Pokrovsky, Oleg S.

2018-01-01

Despite the importance of phototrophic biofilms in metal cycling in freshwater systems, metal isotope fractionation linked to metal adsorption and uptake by biofilm remains very poorly constrained. Here, copper isotope fractionation by a mature phototrophic biofilm during Cu surface adsorption and incorporation was studied in batch reactor (BR) and open drip flow reactor (DFR) systems at ambient conditions. X-ray Absorption Spectroscopy (both Near Edge Structure, XANES, and Extended Fine Structure, EXAFS) at Cu K-edge of the biofilm after its interaction with Cu in BR experiments allowed characterizing the molecular structure of assimilated Cu and quantifying the degree of CuII to CuI reduction linked to Cu assimilation. For both BR and DFR experiments, Cu adsorption caused enrichment in heavy isotope at the surface of the biofilm relative to the aqueous solution, with an apparent enrichment factor for the adsorption process, ε65Cuads, of +1.1 ± 0.3‰. In contrast, the isotope enrichment factor during copper incorporation into the biofilm (ε65Cuinc) was highly variable, ranging from -0.6 to +0.8‰. This variability of the ε65Cuinc value was likely controlled by Cu cellular uptake via different transport pathways resulting in contrasting fractionation. Specifically, the CuII storage induced enrichment in heavy isotope, whereas the toxicity response of the biofilm to Cu exposure resulted in reduction of CuII to CuI, thus yielding the biofilm enrichment in light isotope. EXAFS analyses suggested that a major part of the Cu assimilated by the biofilm is bound to 5.1 ± 0.3 oxygen or nitrogen atoms, with a small proportion of Cu linked to sulfur atoms (NS biofilm exhibited a similar trend over time of exposure. Our study demonstrates the complexity of biological processes associated with live phototrophic biofilms, which produce large and contrasting isotope fractionations following rather small Cu redox and speciation changes during uptake, storage or release of

INIS: Authority List for Journal Titles

International Nuclear Information System (INIS)

1992-01-01

This is the nineteenth revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). It lists 10,797 journal titles which have contained articles within the scope of INIS. The purpose of this Authority List is to provide descriptive cataloguers with a standard abbreviation for journal titles and to assist users of INIS products with a tool for verifying the full title of a journal. A journal, or periodical, is generally published within a defined, fixed interval between issues, which usually has more than one issue a year, and which usually includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as Annual Review of Nuclear Science are included. Series titles as, for example the McGraw-Hill Series in Nuclear Engineering, are not included in this Authority. Entries: Each entry consists of: - the full journal title (highlighted); - the abbreviated title; - ISSN, if available; - CODEN, if available; - additional information related to the journal title. Arrangement: In Part I, the full journal titles are grouped by country or international organization name and ordered alphabetically, followed by the ISSN, the CODEN in square brackets if available, and then the abbreviated title. The abbreviated title is based on the rules of ISO 4: Documentation - International Code for the Abbreviation of Titles of Periodicals. The abbreviations of the words are taken from the ISDS List of Periodical Title Word Abbreviation. In Part II, the order of the citations is reversed: the abbreviated journal titles are arranged alphabetically, followed by country code. Then the full journal titles are followed by the country of publication, and if available, ISSN and CODEN. Additional Information: There is important information related to the journal titles which are fundamental for tracing the history of the title and the present status. They are listed below and are entered whenever applicable: - Ceased publication; - Superseded by

Title IX Resource Guide

Science.gov (United States)

Office for Civil Rights, US Department of Education, 2015

2015-01-01

Title IX of the Education Amendments of 1972 (Title IX) prohibits discrimination based on sex in education programs and activities in federally funded schools at all levels. If any part of a school district or college receives any Federal funds for any purpose, all of the operations of the district or college are covered by Title IX. The essence…

Immobilization of [Cu(bpy)2]Br2 complex onto a glassy carbon electrode modified with alpha-SiMo12O40(4-) and single walled carbon nanotubes: application to nanomolar detection of hydrogen peroxide and bromate.

Science.gov (United States)

Salimi, Abdollah; Korani, Aazam; Hallaj, Rahman; Khoshnavazi, Roshan; Hadadzadeh, Hasan

2009-03-02

A simple procedure has been used for preparation of modified glassy carbon electrode with carbon nanotubes and copper complex. Copper complex [Cu(bpy)(2)]Br(2) was immobilized onto glassy carbon (GC) electrode modified with silicomolybdate, alpha-SiMo(12)O(40)(4-) and single walled carbon nanotubes (SWCNTs). Copper complex and silicomolybdate irreversibly and strongly adsorbed onto GC electrode modified with CNTs. Electrostatic interactions between polyoxometalates (POMs) anions and Cu-complex, cations mentioned as an effective method for fabrication of three-dimensional structures. The modified electrode shows three reversible redox couples for polyoxometalate and one redox couple for Cu-complex at wide range of pH values. The electrochemical behavior, stability and electron transfer kinetics of the adsorbed redox couples were investigated using cyclic voltammetry. Due to electrostatic interaction, copper complex immobilized onto GC/CNTs/alpha-SiMo(12)O(40)(4-) electrode shows more stable voltammetric response compared to GC/CNTs/Cu-complex modified electrode. In comparison to GC/CNTs/Cu-complex the GC/CNTs/alpha-SiMo(12)O(40)(4-) modified electrodes shows excellent electrocatalytic activity toward reduction H(2)O(2) and BrO(3)(-) at more reduced overpotential. The catalytic rate constants for catalytic reduction hydrogen peroxide and bromate were 4.5(+/-0.2)x10(3) M(-1) s(-1) and 3.0(+/-0.10)x10(3) M(-1) s(-1), respectively. The hydrodynamic amperommetry technique at 0.08 V was used for detection of nanomolar concentration of hydrogen peroxide and bromate. Detection limit, sensitivity and linear concentration range proposed sensor for bromate and hydrogen peroxide detection were 1.1 nM and 6.7 nA nM(-1), 10 nM-20 microM, 1 nM, 5.5 nA nM(-1) and 10 nM-18 microM, respectively.

Complexometric determination, Part II: Complexometric determination of Cu2+-ions

Directory of Open Access Journals (Sweden)

Rajković Miloš B.

2002-01-01

Full Text Available A copper-selective electrode of the coated wire type based on sulphidized copper wire was applied successfully for determining Cu(II ions by complexometric titration with the disodium salt of EDTA (complexon III. By the formation of internal complex compounds with the Cu(II ion, the copper concentration in the solution decreases, and all this is followed by a change of potential of the indicator system Cu-DWISE (or Cu-EDWISE/SCE. At the terminal point of titration, when all the Cu(II ions are already utilized for the formation of the complex with EDTA, there occurs a steep rise of potential, thus enabling us, through the first or second derivative to note the quantity of copper that is present in the solution. Copper-selective electrode showed a responsivity towards titration with EDTA as a complexing agent, with the absence of "fatigue" due to a great number of repeated measurings. Errors occurring during quantitative measurements were more a characteristic of the overall procedure which involve, because of the impossibility of the complete absence of subjectivity, a constant error, and the reproducibility of the results confirmed this fact. The disodium salt of EDTA appeared as a very efficient titrant in all titrations and with various concentrations ot Cu(II ions in the solution, with somewhat weaker response at lower concentrations in the solution.

Getting to one from title 10 + title 32 unity of effort in the homeland

OpenAIRE

Prosch, Caroline Ross.

2011-01-01

CHDS State/Local Approved for public release; distribution is unlimited This thesis bridges the knowledge gap between Title 10 Active Duty and Title 32 National Guard in order to breakdown cultural barriers and reach unity of effort for response operations in the homeland. Regrettably, a unified response was missing among Title 10 Active Duty and Title 32 National Guard members following Hurricane Katrina. Since then, initiatives based in doctrine, statutes and formal recommendations...

Browse Title Index

African Journals Online (AJOL)

Items 601 - 650 of 788 ... Browse Title Index ... Issue, Title ... Vol 14, No 1 (2006), Social science research: a critique of quantitative and qualitative methods ... Vol 18, No 1 (2010), Stress among part-time business students: a study in a Ghanaian ...

Metal complexes with 5-aminotetrazole

International Nuclear Information System (INIS)

Lavrenova, L.G.; Larionov, S.V.; Grankina, Z.A.; Ikorskij, V.N.

1983-01-01

Nitrate and chloride complexes of Co(2), Ni(2), Cu(2), Cd(2), Hg(2), Pb(2) with 5 aminotetrazole (ATE) and compoUnds Zn(ATE') 2 and Cd(ATEE') 2 , where ATE' is a 5 aminotetrazole ano /nion. On the base of spectroscopic data (spectrophotometry, IR- spectra, EPR and magnetic measurements assumptions on M(2) coordination in complexes are made. Most probably ATE is a bridge ligand which is joined by two nitrogen atoms to various M(2) ions. In Co(2), Ni(2) and Cu(ATE) 3 -Cl 2 compounds the metal has a distorted actahedral coordination and forms MN 6 unit, which suggests the interaction of metal ions with ATE nitrogen atoms along the Z-axis. In the Cu(ATE) 2 (NO 3 ) 2 octahedral complex the CuN 4 O 2 coordination unit is realized at the expense of participation of nitratogroups in coordination

20 CFR 408.931 - How much will we withhold from your title II and title XVI benefits to recover a title VIII...

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false How much will we withhold from your title II... and Overpayments Adjustment of Title II Benefits § 408.931 How much will we withhold from your title...-due benefits. (b)(1) We will collect the overpayment from current monthly benefits due in a month...

Microscale Syntheses, Reactions, and 1H NMR Spectroscopic Investigations of Square Planar Macrocyclic Tetraamido-N Cu(III) Complexes Relevant to Green Chemistry

Science.gov (United States)

Uffelman, Erich S.; Doherty, Jonathan R.; Schulze, Carl; Burke, Amy L.; Bonnema, Kristen R.; Watson, Tanya T.; Lee, Daniel W., III

2004-01-01

Microscale fusions, description, and spectroscopic analysis of the reactivity of a square planar Cu(III) complex significant to green chemistry, are presented. The experiment also includes nine focal points on which pre-lab and post-lab questions are based, and the final exams reflect the students' comprehension of these and other features of…

Refinement of La1.5Ba1.5Cu3O7-x from a Twinned Crystal

DEFF Research Database (Denmark)

Hjorth, Michael

1996-01-01

The structure of the title compound (barium copper lanthanum oxide, Ba1.50Cu3La1.50O6.66) has been refined from a twinned crystal using single-crystal methods. The results of the present investigation show lower standard deviations than the results of earlier powder diffraction refinements...

Highly stable acyclic bifunctional chelator for {sup 64}Cu PET imaging

Energy Technology Data Exchange (ETDEWEB)

Abada, S.; Lecointre, A.; Christine, C.; Charbonniere, L. [CNRS/UDS, EPCM, Strasbourg (France). Lab. d' Ingenierie Appliquee a l' Analyse; Dechamps-Olivier, I. [Univ. de Reims Champagne Ardenne, Reims (France). Group Chimie de Coordination; Platas-Iglesias, C. [Univ. da Coruna (Spain). Dept. de Quimica Fundamental; Elhabiri, M. [CNRS/UDS, EPCM, Strasbourg (France). Lab. de Physico-Chimie Bioinorganique

2011-07-01

Ligand L{sup 1}, based on a pyridine scaffold, functionalized by two bis(methane phosphonate)aminomethyl groups, was shown to display a very high affinity towards Cu(II) (log K{sub CuL}=22.7) and selectivity over Ni(II), Co(II), Zn(II) and Ga(III) ({delta} log K{sub ML}>4) as shown by the values of the stability constants obtained from potentiometric measurements. Insights into the coordination mode of the ligand around Cu(II) cation were obtained by UV-Vis absorption and EPR spectroscopies as well as density functional theory (DFT) calculations (B3LYP model) performed in aqueous solution. The results point to a pentacoordination pattern of the metal ion in the fully deprotonated [CuL{sup 1}]{sup 6-} species. Considering the beneficial thermodynamic parameters of this ligand, kinetic experiments were run to follow the formation of the copper(II) complexes, indicating a very rapid formation of the complex, appropriate for {sup 64}Cu complexation. As L{sup 1} represents a particularly interesting target within the frame of {sup 64}Cu PET imaging, a synthetic protocol was developed to introduce a labeling function on the pyridyl moiety of L{sup 1}, thereby affording L{sup 2}, a potential bifunctional chelator (BFC) for PET imaging.

Poly[dimethanolbis[μ-5-(3-pyridyltetrazolato-κ2N2:N5]copper(II

Directory of Open Access Journals (Sweden)

Xiao-Hong Wei

2010-05-01

Full Text Available In the crystal structure of the title complex, [Cu(C6H4N52(CH3OH2]n, the CuII cation lies on an inversion center and is coordinated by four 5-(3-pyridyltetrazolate anions and two methanol molecules in an elongated distorted CuN4O2 octahedral geometry. Each 5-(3-pyridyltetrazolate anion bridges two CuII cations, forming a two-dimensional polymeric complex with (4,4 network topology. In the crystal structure, the two-dimensional layers are connected by intermolecular O—H...N hydrogen bonding, forming a three-dimensional supramolecular architecture.

Browse Title Index

African Journals Online (AJOL)

Items 151 - 200 of 229 ... Browse Title Index ... Issue, Title. Vol 14, No 2 ... Vol 15, No 1 (2017), Qualitative and quantitative methods of suicide research in old age, Abstract PDF ... Vol 11, No 2 (2013), Simple Algorithm in the Management of Fetal ...

Zeolite-encapsulated Co(II), Mn(II), Cu(II) and Cr(III) salen complexes as catalysts for efficient selective oxidation of benzyl alcohol

Science.gov (United States)

Li, F. H.; Bi, H.; Huang, D. X.; Zhang, M.; Song, Y. B.

2018-01-01

Co(II), Mn(II), Cu(II) and Cr(III) salen type complexes were synthesized in situ in Y zeolite by the reaction of ion-exchanged metal ions with the flexible ligand molecules that had diffused into the cavities. Data of characterization indicates the formation of metal salen complexes in the pores without affecting the zeolite framework structure, the absence of any extraneous species and the geometry of encapsulated complexes. The catalytic activity results show that Cosalcyen Y exhibited higher catalytic activity in the water phase selective oxidation of benzyl alcohol, which could be attributed to their geometry and the steric environment of the metal actives sites.

Synthesis, spectral characterization thermal stability, antimicrobial studies and biodegradation of starch–thiourea based biodegradable polymeric ligand and its coordination complexes with [Mn(II, Co(II, Ni(II, Cu(II, and Zn(II] metals

Directory of Open Access Journals (Sweden)

Nahid Nishat

2016-09-01

Full Text Available A biodegradable polymer was synthesized by the modification reaction of polymeric starch with thiourea which is further modified by transition metals, Mn(II, Co(II, Ni(II, Cu(II and Zn(II. All the polymeric compounds were characterized by (FT-IR spectroscopy, 1H NMR spectroscopy, 13C NMR spectroscopy, UV–visible spectra, magnetic moment measurements, thermogravimetric analysis (TGA and antibacterial activities. Polymer complexes of Mn(II, Co(II and Ni(II show octahedral geometry, while polymer complexes of Cu(II and Zn(II show square planar and tetrahedral geometry, respectively. The TGA revealed that all the polymer metal complexes are more thermally stable than their parental ligand. In addition, biodegradable studies of all the polymeric compounds were also carried out through ASTM-D-5338-93 standards of biodegradable polymers by CO2 evolution method which says that coordination decreases biodegradability. The antibacterial activity was screened with the agar well diffusion method against some selected microorganisms. Among all the complexes, the antibacterial activity of the Cu(II polymer–metal complex showed the highest zone of inhibition because of its higher stability constant.

Biodegradation of CuTETA, an effluent by-product in mineral processing.

Science.gov (United States)

Cushing, Alexander M L; Kelebek, Sadan; Yue, Siqing; Ramsay, Juliana A

2018-04-13

Polyamines such as triethylenetetramine (TETA) and other amine chelators are used in mineral processing applications. Formation of heavy metal complexes of these reagents as a by-product in effluent water is a recent environmental concern. In this study, Paecilomyces sp. was enriched from soil on TETA as the sole source of carbon and nitrogen and was found to degrade > 96 and 90% CuTETA complexes at initial concentrations of 0.32 and 0.79 mM respectively, following 96-h incubation. After destabilization, most of the copper (> 78%) was complexed extracellularly and the rest was associated with the cell. Mass spectroscopy results provided confirmation that copper re-complexed with small, extracellular, and organic molecules. There are no reports in the literature that Paecilomyces or any other organism can grow on TETA or CuTETA. This study is the first to show that biological destabilization of CuTETA complexes in mineral processing effluents is feasible.

Bromido(2-{1-[2-(piperidin-1-yl)ethyl?imino]?eth?yl}phenolato)copper(II)

OpenAIRE

Zhao, Xiao-Fan; Li, Fang

2010-01-01

In the title complex, [CuBr(C15H21N2O)], the CuII atom is coordinated by one phenolate O, one imine N and one amine N atom of the tridentate Schiff base ligand and by one bromide ion, resulting in a distorted CuBrN2O square-planar geometry for the metal ion, with the N atoms in a cis conformation.

INIS: Authority list for journal titles

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-03-01

This is the twenty-ninth revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). It lists the titles of 12 990 journals which have contained articles within the scope of INIS. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the reader to find titles easily, the list is divided into two parts. In Part I, the full journal titles are grouped by country or international organization responsible for coverage and ordered alphabetically. In Part II, the full journal titles of all countries or international organizations are arranged alphabetically. The country name or the international organization name responsible for coverage of the journal title to INIS is entered in parentheses. Journal titles marked with an asterisk are regularly scanned by INIS. Titles that have been identified by INIS Centres as 'Key Journals' are marked with the hash sign.

INIS: Authority list for journal titles

International Nuclear Information System (INIS)

2003-01-01

This is the twenty-ninth revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). It lists the titles of 12 990 journals which have contained articles within the scope of INIS. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the reader to find titles easily, the list is divided into two parts. In Part I, the full journal titles are grouped by country or international organization responsible for coverage and ordered alphabetically. In Part II, the full journal titles of all countries or international organizations are arranged alphabetically. The country name or the international organization name responsible for coverage of the journal title to INIS is entered in parentheses. Journal titles marked with an asterisk are regularly scanned by INIS. Titles that have been identified by INIS Centres as 'Key Journals' are marked with the hash sign

Radiolabeling and biodistribution of 62Cu-dithiocarbamate

International Nuclear Information System (INIS)

Matsumoto, Kazuya; Fujibayashi, Yasuhisa; Yokoyama, Akira; Konishi, Junji.

1990-01-01

The newly developed 62 Zn/ 62 Cu generator system has made available the production of the short-lived 62 Cu (T 1/2 = 9.8 min) positron radionuclide, eluted as 62 Cu-glycine. In the search for 62 Cu labeled radiopharmaceuticals for positron CT (PET) brain diagnostic studies, two ligands N,N-diethyl- and N,N-dimethyl-dithiocarbamic acid (DDC and DmDC) were selected, based on their Cu chelating abilities and the neutral lipophilic character of their copper chelates. In the present work, an in vitro study with non-radioactive Cu-glycine showed that both ligands easily formed the stable, neutral Cu-DDC and Cu-DmDC chelates (1:2 metal-ligand complexes) based on the ligand exchange reaction. Then the 62 Zn/ 62 Cu generator eluate, the 62 Cu-glycine was used for the radiolabeling of DDC and DmDC. The following HPLC analysis revealed that the ligand exchange reaction proceeded rapidly; the radiochemical purities of 62 Cu-DDC and 62 Cu-DmDC were extremely high (non-detectable 62 Cu-glycine) and both chelates were more lipophilic than 62 Cu-glycine. The mouse biodistribution of both radiolabeled compounds, 62 Cu-DDC and 62 Cu-DmDC indicated a brain accumlation of 2.8 and 5.3 times higher than 62 Cu-glycine, 15 min post injection, respectively. The brain accumulation observed with both 62 Cu-DDC and 62 Cu-DmDC might be due to their stable, neutral and lipophilic character; the latter enhanced by the presence of the methylated side chains. The gathered results indicated the applicability of dithiocarbamic acid derivatives in the production of new 62 Cu-labeled compounds using the 62 Zn/ 62 Cu generator system based on the ligand exchange reaction with 62 Cu-glycine eluate. Further studies with Cu-dithiocarbamic acid derivatives for development of new generator-produced 62 Cu positron radiopharmaceuticals can be recalled. (author)

Insight into the electronic structure of the supramolecular “rods-in-belt” Au{sup I}-Cu{sup I} and Au{sup I}-Ag{sup I} self-assembled complexes from X-ray photoelectron and absorption spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Makarova, Anna A. [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Grachova, Elena V.; Krupenya, Dmitry V. [Department of Chemistry, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Vilkov, Oleg [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Fedorov, Alexander [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden, Dresden (Germany); Usachov, Dmitry [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Generalov, Alexander [Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Koshevoy, Igor O. [Department of Chemistry, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Department of Chemistry, University of Eastern Finland, Joensuu 80101 (Finland); Tunik, Sergey P. [Department of Chemistry, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); Rühl, Eckart [Physikalische Chemie, Institut für Chemie und Biochemie Freie Universität Berlin (Germany); and others

2014-01-01

Highlights: • Electronic structure of rods-in-belt complexes was described via PES and NEXAFS. • With increasing size the molecule becomes more sensitive to X-ray damage effects. • The HOMO consists of a combination of the d-Cu/Ag and π-C≡C states. • HOMOs are positioned at about 2.2 eV for Au-Cu and 2.5 eV BE for Au-Ag complexes. • LUMOs are located on the C-skeleton including π*-C≡C and π*-C=C{sub aromatic} orbitals. - Abstract: The recently discovered “rods-in-belt” supramolecular complexes with Au-Cu or Au-Ag cluster cores exhibit self-assembly behavior, have a very unusual structural motif, and what is most important, show remarkable light emitting properties. The electronic and photophysical characteristics of these unique objects can be relatively easy tuned by modifying the ligand (alkynyl and phosphine) environment. Because of these properties the “rods-in-belt” supramolecules could serve as building blocks for next generation electronics, and in particular, for light-emitting devices and in bioimaging applications. Herein, we report a comprehensive characterization of the electronic structure of two families of alkynyl-diphosphine supramolecular complexes with the heterometallic Au-Cu and Au-Ag cores. Using X-ray photoemission and absorption spectroscopy we disentangled the structure of their occupied and unoccupied electronic states close to the Fermi level. The results obtained suggest that the major contribution to the highest occupied molecular orbitals is made by the triple bonded carbons hosted in the dialkynyl-gold “rods” and the copper (silver) atoms from the central cluster core of the heterometallic Au-Cu (Au-Ag) molecules. The lowest unoccupied molecular orbitals are located on the carbon skeleton of the complexes and include π*-C≡C and π*-C=C{sub aromatic} orbitals. The onset of the valence band in the Au-Ag systems starts at about 0.3 eV lower than that in the Au-Cu complexes, implying a slightly larger energy

Bis[N-(2-aminoethylethane-1,2-diamine-κ3N,N′,N′′]copper(II tris[diamminetetrakis(thiocyanato-κNchromate(III] thiocyanate dimethyl sulfoxide tetradecasolvate monohydrate

Directory of Open Access Journals (Sweden)

Vitalina M. Nikitina

2011-08-01

Full Text Available The ionic title complex, [Cu(C4H13N32]2[Cr(NCS4(NH32]3(NCS·14C2H6OS·H2O, consists of complex [Cu(dien2]2+ cations [dien is N-(2-aminoethylethane-1,2-diamine], complex [Cr(NCS4(NH32]− anions, an NCS− counter-anion and uncoordinated dimethyl sulfoxide (DMSO and water solvent molecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thiocyanate counter-anion and water molecule are disordered over two positions close to an inversion center. There are several types of hydrogen-bond interactions present in the title compound, which connect the complex cations and anions into bulky [Cu2Cr3] polynuclear species. The four NH3 groups of the complex anions and six bridging DMSO O atoms link the three complex anions via hydrogen bonding into the anionic polynuclear species [Cr(NCS4(NH32]3·6DMSO. The last one is connected by four bridging DMSO O atoms with the two complex copper cations through N—H... O hydrogen bonds between the terminal NH3 groups of the anionic polynuclear species and the NH and NH2 groups of the dien ligand. One additional DMSO molecule is connected via hydrogen bonding to one of the terminal NH3 groups of the anionic polynuclear species. Another DMSO molecule is connected via hydrogen bonding to each Cu(dien2]2+ cation.

Complex microwave conductivity of YBa2Cu3O7 in magnetic fields up to 500T

International Nuclear Information System (INIS)

Goettee, J.D.; Zerwekh, W.D.; Kudasov, Y.B.

1994-01-01

We have measured the complex conductivity of thin films of YBa 2 cu 3 O 7 (YBCO) superconductor down to temperatures of 4K and magnetic fields up to 500T. The highly oriented films were probed by 94 GHz radiation, with the external magnetic field applied perpendicular to the c-axis. These measurements allowed us to assign a value of 340 ± 40 for the upper critical field at T=O. The measurements were recently carried out at the pulsed field facility of the National High Magnetic Field Laboratory at Los Alamos using both Russian and American magnetic flux compression generators

Metal complexes of salicylhydroxamic acid (H2Sha), anthranilic hydroxamic acid and benzohydroxamic acid. Crystal and molecular structure of [Cu(phen)2(Cl)]Cl x H2Sha, a model for a peroxidase-inhibitor complex.

Science.gov (United States)

O'Brien, E C; Farkas, E; Gil, M J; Fitzgerald, D; Castineras, A; Nolan, K B

2000-04-01

Stability constants of iron(III), copper(II), nickel(II) and zinc(II) complexes of salicylhydroxamic acid (H2Sha), anthranilic hydroxamic acid (HAha) and benzohydroxamic acid (HBha) have been determined at 25.0 degrees C, I=0.2 mol dm(-3) KCl in aqueous solution. The complex stability order, iron(III) > copper(II) > nickel(II) approximately = zinc(II) was observed whilst complexes of H2Sha were found to be more stable than those of the other two ligands. In the preparation of ternary metal ion complexes of these ligands and 1,10-phenanthroline (phen) the crystalline complex [Cu(phen)2(Cl)]Cl x H2Sha was obtained and its crystal structure determined. This complex is a model for hydroxamate-peroxidase inhibitor interactions.

Electron paramagnetic resonance in myoglobin single crystals doped with Cu(II) : conformational changes

International Nuclear Information System (INIS)

Nascimento, O.R.

1976-03-01

Single crystals of sperm whale met-Myoglobin were doped with Cu (II) by immersion in a saturaded solution of NH 3 (SO 4 ) containing diluted Cu (SO 4 ).Two isotropic EPR spectra with different parameters and three anisotropic EPR spectra corresponding to three distinct types of Cu(II) : Mb complexes were identified. A fitting of the angular variation of the EPR spectrum of one of the complexes named here Cu(II)A : Mb was done using a spin Hamiltonian with axial symmetry calculated up to second order which gave the EPR hyperfine parameters.A study of the thermal variation of the complex Cu (II)A : Mb EPR spectrum in the temperature range of 25 0 C to 55 0 C allowed an identification of a conformational variation of the molecule the spectrum evolved from the anisotropic to isotropic spectrum with different parameters. A model of the Cu(II)A : Mb complex is proposed to explain the conformational change of the molecule by means of EPR spectra before and after thermal treatment. The isotropic spectrum obtained with the crystal at 55 0 C presents the EPR parameters very similar to the same parameters obtained with the Cu (II) : Mb complex in aqueous solution at 77 0 K, whereas the isotropic spectra parameters obtained with the dried crystal are quite different. It was possible to identify two different tertiary structures of the myoglobin molecule : one corresponding to the molecule in the crystal at 55 0 C and other to the dry crystal. A slight difference in the crystalline and solution structure of the myoglobin mollecule is observed. (Author) [pt

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African Journals Online (AJOL)

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Hypoxia targeting copper complexes

International Nuclear Information System (INIS)

Dearling, J.L.

1998-11-01

The importance and incidence of tumour hypoxia, its measurement and current treatments available, including pharmacological and radiopharmacological methods of targeting hypoxia, are discussed. A variety of in vitro and in vivo methods for imposing hypoxia have been developed and are reviewed. Copper, its chemistry, biochemistry and radiochemistry, the potential for use of copper radionuclides and its use to date in this field is considered with particular reference to the thiosemicarbazones. Their biological activity, metal chelation, in vitro and in vivo studies of their radiocopper complexes and the potential for their use as hypoxia targeting radiopharmaceuticals is described. The reduction of the copper(II) complex to copper(l), its pivotal importance in their biological behaviour, and the potential for manipulation of this to effect hypoxia selectivity are described. An in vitro method for assessing the hypoxia selectivity of radiopharmaceuticals is reported. The rapid deoxygenation and high viability of a mammalian cell culture in this system is discussed and factors which may affect the cellular uptake of a radiopharmaceutical are described. The design, synthesis and complexation with copper and radiocopper of a range of bis(thiosemicarbazones) is reported. Synthesis of these compounds is simple giving high yields of pure products. The characteristics of the radiocopper complexes ( 64 Cu) including lipophilicity and redox activity are reported (reduction potentials in the range -0.314 - -0.590 V). High cellular uptakes of the radiocopper complexes of the ligands, in hypoxic and normoxic EMT6 and CHO320 cells, were observed. Extremes of selectivity are shown ranging from the hypoxia selective 64 Cu(II)ATSM to normoxic cell selective 64 Cu(II)GTS. The selectivities observed are compared with the physico chemical characteristics of the complexes. A good correlation exists between selectivity of the complex and its Cu(II)/Cu(I) reduction potential, with hypoxia

Intracellular trafficking of a pH-responsive drug metal complex.

Science.gov (United States)

Kheirolomoom, Azadeh; Ingham, Elizabeth S; Commisso, Joel; Abushaban, Neveen; Ferrara, Katherine W

2016-12-10

We previously developed a pH-responsive copper-doxorubicin (CuDox) cargo in lysolipid-based temperature-sensitive liposomes (LTSLs). The CuDox complex is released from the particle by elevated temperature; however, full release of doxorubicin from CuDox requires a reduced pH, such as that expected in lysosomes. The primary goal of this study is to evaluate the cellular uptake and intracellular trafficking of the drug-metal complex in comparison with intact liposomes and free drug. We found that the CuDox complex was efficiently internalized by mammary carcinoma cells after release from LTSLs. Intracellular doxorubicin and copper were 6-fold and 5-fold greater, respectively, after a 0.5h incubation with the released CuDox complex, as compared to incubation with intact liposomes containing the complex. Total cellular doxorubicin fluorescence was similar following CuDox and free doxorubicin incubation. Imaging and mass spectrometry assays indicated that the CuDox complex was initially internalized intact but breaks down over time within cells, with intracellular copper decreasing more rapidly than intracellular doxorubicin. Doxorubicin fluorescence was reduced when complexed with copper, and nuclear fluorescence was reduced when cells were incubated with the CuDox complex as compared with free doxorubicin. Therapeutic efficacy, which typically results from intercalation of doxorubicin with DNA, was equivalent for the CuDox complex and free doxorubicin and was superior to that of liposomal doxorubicin formulations. Taken together, the results suggest that quenched CuDox reaches the nucleus and remains efficacious. In order to design protocols for the use of these temperature-sensitive particles in cancer treatment, the timing of hyperthermia relative to drug administration must be examined. When cells were heated to 42°C prior to the addition of free doxorubicin, nuclear drug accumulation increased by 1.8-fold in cancer cells after 5h, and cytotoxicity increased 1

A coumarin-derived Cu2 +-fluorescent chemosensor and its direct application in aqueous media

Science.gov (United States)

Mergu, Naveen; Kim, Myeongjin; Son, Young-A.

2018-01-01

A novel coumarin-based receptor bearing a benzohydrazide (FCBH) was developed as a fluorescent chemosensor with high selectivity toward Cu2 +. The sensor was successfully applied to the monitoring of Cu2 + in aqueous solution. After the addition of Cu2 + to FCBH, the color of the solution changed from greenish-yellow to red, and the absorption band at 457 nm red-shifted to 517 nm. The fluorescent green color of FCBH disappeared and the fluorescence emission was completely quenched in the presence of Cu2 +. Upon the addition of Cu2 +, deprotonation of FCBH occurred, and a 1:1 metal-ligand complex formed. DFT theoretical investigation was carried out to understand the behavior of the sensing probe toward Cu2 +. Additionally, the quenched fluorescence of the FCBH-Cu2 + complex was restored upon the addition of CN- ions. The possible sensing mechanism of FCBH toward Cu2 + was derived from experimental and theoretical examinations.

Two different one-dimensional structural motifs in [catena-{Cu(tacn)}2Pd(CN)4]Br2.[catena-Cu(tacn)Pd(CN)4]2.H2O (tacn is 1,4,7-triazacyclononane).

Science.gov (United States)

Kuchár, Juraj; Cernák, Juraj

2009-07-01

The title compound, catena-poly[[bis[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-di-mu-cyanido-kappa(4)N:C-palladate(II)-di-mu-cyanido-kappa(4)C:N] dibromide bis[[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-mu-cyanido-kappa(2)N:C-[dicyanidopalladate(II)]-mu-cyanido-kappa(2)C:N] monohydrate], {[Cu(2)Pd(CN)(4)(C(6)H(15)N(3))(2)]Br(2).[Cu(2)Pd(2)(CN)(8)(C(6)H(15)N(3))(2)].H(2)O}(n), (I), was isolated from an aqueous solution containing tacn.3HBr (tacn is 1,4,7-triazacyclononane), Cu(2+) and tetracyanidopalladate(2-) anions. The crystal structure of (I) is essentially ionic and built up of 2,2-electroneutral chains, viz. [Cu(tacn)(NC)-Pd(CN)(2)-(CN)-], positively charged 2,4-ribbons exhibiting the composition {[Cu(tacn)(NC)(2)-Pd(CN)(2)-Cu(tacn)](2n+)}(n), bromide anions and one disordered water molecule of crystallization. The O atom of the water molecule occupies two unique crystallographic positions, one on a centre of symmetry, which is half occupied, and the other in a general position with one-quarter occupancy. One of the tacn ligands also exhibits disorder. The formation of two different types of one-dimensional structural motif within the same structure is a unique feature of this compound.

New modulated design, docking and synthesis of carbohydrate-conjugate heterobimetallic CuII-SnIV complex as potential topoisomerase II inhibitor: in vitro DNA binding, cleavage and cytotoxicity against human cancer cell lines.

Science.gov (United States)

Tabassum, Sartaj; Afzal, Mohd; Arjmand, Farukh

2014-03-03

New carbohydrate-conjugate heterobimetallic complexes [C₂₂H₅₀N₆O₁₃CuSnCl₂] (3) and [C₂₂H₅₈N₆O₁₇NiSnCl₂] (4) were synthesized from their monometallic analogs [C₂₂H₅₂N₆O₁₃Cu] (1) and [C₂₂H₆₀N₆O₁₇Ni] (2) containing N-glycoside ligand (L). In vitro DNA binding studies of L and complexes (1-4) with CT DNA were carried out by employing various biophysical and molecular docking techniques which revealed that heterobimetallic complex 3 strongly binds to DNA in comparison to 4, monometallic complexes (1 and 2) and the free ligand. Complex 3 cleaves pBR322 DNA via hydrolytic pathway (confirmed by T4 DNA ligase assay) and inhibited Topo-II activity in a dose-dependent manner. Furthermore, complex 3 was docked into the ATPase domain of human-Topo-II in order to probe the possible mechanism of inhibition. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Simulations on Nickel target preparation and separation of Ni(II)-Cu(II) matrix for production of radioisotope "6"4Cu

International Nuclear Information System (INIS)

Sunarhadijoso Soenarjo; Wira Y Rahman; Sriyono; Triyanto

2011-01-01

The simulations on Nickel target preparation and separation of Ni(II)-Cu(II) matrix has been carried out as a preliminary study for production of medical radioisotope Cu-64 based on nuclear reaction of "6"4Ni (p,n) "6"4Cu. The nickel target preparation was performed by means of electroplating method using acidic solution of nickel chloride - boric acid mixture and basic solution of nickel sulphate - nickel chloride mixture on a silver - surfaced-target holder. The simulated solution of Ni(II) - Cu(II) matrix was considered as the solution of post-proton-irradiated nickel target containing both irradiated nickel and radioactive copper, but in the presented work the proton irradiation of nickel target was omitted, while the radioactive copper was originally obtained from neutron irradiation of CuO target. The separation of radioactive copper from the nickel target matrix was based on anion exchange column chromatography in which the radiocopper was conditioned to form anion complex CuCl_4"2"- and retained on the column while the nickel was kept in the form of Ni"2"+ cation and eluted off from the column. The retained radioactive copper was then eluted out the column in the condition of dilute HCl changing back the copper anion complex into Cu"2"+ cation. It was found that the electroplating result from the acidic solution was more satisfied than that from the basic solution. By conditioning the matrix solution at HCl 6 M, the radioactive copper was found in the forms of Cu"2"+ and CuCl_4"2"- while the nickel was totally in the form of Ni"2"+. In the condition of HCl 9 M, the radioactive copper was mostly in the form of CuCl_4"2"- while the nickel was found as both Ni"2"+ and NiCl_4"2"-. The best condition of separation was in HCl 8 M in which the radioactive copper was mostly in the form of CuCl_4"2"- while the nickel was mostly in the form of Ni"2"+. The retained CuCl_4"2"- was then changed back into Cu_2_+ cation form and eluted out the column by using HCl 0.05 M

Copper complex N(4)-ortho-toluyl-2-acetylpyridine thiosemicarbazone - ({sup 64}Cu)(H2Ac4oT)Cl - internal dosimetry: animal model and human extrapolation

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, Josianne L.; Silva, Paulo R.O.; Santos, Raquel G.; Ferreira, Andrea V., E-mail: jlr@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

2011-07-01

Thiosemicarbazones have attracted great pharmacological interest because of their biological properties, such as cytotoxic activity against multiple strains of human tumors. Due to the excellent properties of {sup 64}Cu, the copper complex N(4)-ortho-toluyl-2-acetylpyridine thiosemicarbazone (({sup 64}Cu)(H2Ac4oT)Cl) was developed for tumor detection by positron emission tomography. The radiopharmaceuticals were produced in the nuclear reactor TRIGA-IPR-R1 from CDTN. At the present work, ({sup 64}Cu)(H2Ac4oT)Cl biokinetic data (evaluated in mice bearing Ehrlich tumor) were treated by MIRD formalism to perform Internal Dosimetry studies. Doses in several organs of mice were determinate, as well as in implanted tumor, for ({sup 64}Cu)(H2Ac4oT)Cl. Doses results obtained for animal model were extrapolated to humans assuming a similar concentration ratio among various tissues between mouse and human. In the extrapolation, it was used human organ masses from Cristy/Eckerman phantom. Both penetrating and non-penetrating radiation from {sup 64}Cu in the tissue were considered in dose calculations. (author)

Synthesis, structures, nuclease activity, cytotoxicity, DFT and molecular docking studies of two nitrato bridged homodinuclear (Cu-Cu, Zn-Zn) complexes containing 2,2'-bipyridine and a chalcone derivative.

Science.gov (United States)

Gaur, Ruchi; Choubey, Diksha Kumari; Usman, Mohammad; Ward, Benzamin D; Roy, Jagat Kumar; Mishra, Lallan

2017-08-01

Nitrato briged dinuclear complexes of type [Cu 2 (L) 2 (bpy) 2 (NO 3 )](NO 3 )·4H 2 O, 1 and [Zn 2 (L) 2 (bpy) 2 (NO 3 )](NO 3 )·4H 2 O, 2 (L=deprotonated form of free ligand LH, [1-(2-hydroxyphenyl)-3-(9-anthracenyl) propenone; bpy=2,2'bipyridine] are synthesized and characterized using a battery of physicochemical techniques and X-ray crystallography. A distorted square pyramidal geometry is assigned to them with N 2 O 3 coordination core around the metal ion. The co-ligand L binds the metal ions through its O,O' atoms in anti-syn mode. The metal centers in complexes 1 and 2 are separated via bridging nitrato group at a distance of 6.073Å and 5.635Å respectively. Their structures and absorption spectra are supported by the computational studies using density functional theory (DFT) and TD-DFT. Both complexes exhibit nuclease activity and cleave supercoiled (form I) DNA. The complex 1 preferentially binds major groove of DNA and follows an oxidative pathway whereas complex 2 binds with minor groove of DNA via hydrolytic pathway. Both complexes inhibit topoisomerase I relaxation activity with IC 50 values of 7 and 35μM. Molecular docking studies support the groove binding and topoisomerase I binding of the complexes. The complex 1 showed a significant cytotoxicity against HeLa cell lines (a cervical cancer cell lines) in vitro with IC 50 value calculated as 2.9±0.021μM as compared to 28.2±0. 044μΜ for complex 2. Complex 2 induces the cell apoptosis at a later-stage as compared to complex 1. The cell apoptosis and topoisomerase inhibition by complexes enable them to be potential candidates as future anticancer drugs. Copyright © 2017 Elsevier B.V. All rights reserved.

Electrochemical growth and studies of CuInSe2 thin films

International Nuclear Information System (INIS)

Prasher, Dixit; Chandel, Tarun; Rajaram, Poolla

2014-01-01

Thin films of CuInSe 2 were grown on fluorine doped tin oxide (<10 Ω/□) coated glass using the electrodeposition technique. The electrodeposition was carried out potentiostatically using an aqueous bath consisting of solutions of CuCl 2 , InCl 3 and SeO 2 with ethylenediamine-dihydrochloride (EDC) added for complexation. CuInSe 2 films were also deposited without using any complexing agent in the bath. To improve the crystallinity the CuInSe 2 films were annealed in vaccum at 300 °C for one hour. The annealed films were analyzed by x-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive analysis of x-rays (EDAX), atomic force microscopy (AFM) and optical spectra. The results obtained in this work show that by adding a suitable complexing agent to the electrochemical bath, nanocrystalline CuInSe 2 , 20 nm to 30 nm in size, can be grown. The composition of the CuInSe 2 films can be controlled by means of the bath composition and stoichiometric films can be obtained for a bath with ionic Cu:In:Se composition close to 1:4:2. AFM micrographs show that the particles are generally oval shaped for near stoichiometric compositions. However for extreme copper rich layers, the morphology is completely different, the particles in this case appearing in the form of nanoflakes. Each flake has a thickness in the nano range, but the surface extends to a length of several microns. (papers)

Exchange coupling transformations in Cu (II) heterospin complexes of “breathing crystals” under structural phase transitions

Energy Technology Data Exchange (ETDEWEB)

Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N., E-mail: luk@tomo.nsc.ru [International Tomography Center SB RUS, Institutskaya Str. 3a, Novosibirsk, 630090 (Russian Federation); Novosibirsk State University, Pirogova Str. 2, Novosibirsk 630090 (Russian Federation)

2015-08-15

Family of “breathing crystals” is the polymer-chain complexes of Cu(hfac){sub 2} with nitroxides. The polymer chains consist of one-, two- or three-spin clusters. The “breathing crystals” experience simultaneous magnetic and Jahn-Teller type structural phase transitions with change of total cluster spin and drastic change of bond lengths (ca. 10-12%). For the first time the intra-cluster magnetic couplings in ”breathing crystals” have been calculated both by band structure methods GGA + U and hybrid DFT (B3LYP and PBE0) for the isolated exchange clusters. The temperature dependence of the magnetic coupling constant was calculated for two polymer-chain compounds of the “breathing crystal” family - C{sub 21}H{sub 19}CuF{sub 12}N{sub 4}O{sub 6} with the chains containing two-spin clusters and C{sub 22}H{sub 21}CuF{sub 12}N{sub 4}O{sub 6} with the chains of alternating three-spin clusters and one-spin sites. It was found that adding a Hubbard-like parameter not only to the copper 3d electrons but also to the oxygen 2p electrons (GGA + U{sub d} + U{sub p} approach) results in an improved description of exchange coupling in the “breathing crystal” compounds. At the same time treatment of the isolated clusters by a large basis hybrid DFT with high computational cost provides a similar quality fit of the experimental magneto-chemical data as that for the GGA + U{sub d} + U{sub p} band structure calculation scheme. Our calculations also showed that in spite of the abrupt transformation of the magnetic coupling constant under the phase transition, the band gap in the “breathing crystals” remains about the same value with temperature decrease.

Bromido(2-{1-[2-(morpholin-4-yl)ethylimino]ethyl}phenolato)copper(II)

OpenAIRE

Xiao-Fan Zhao; Fang Li

2010-01-01

In the title complex, [CuBr(C14H19N2O2)], the CuII atom is coordinated by one phenolate O, one imine N and one amine N atom of the tridentate Schiff base ligand and by one bromide ion, resulting in a distorted CuBrN2O square-planar geometry, with the N atoms in a cis arrangement. The morpholine ring adopts a chair conformation.

Fabrication of a micrometer Ni–Cu alloy column coupled with a Cu micro-column for thermal measurement

International Nuclear Information System (INIS)

Lin, J C; Chang, T K; Yang, J H; Jeng, J H; Lee, D L; Jiang, S B

2009-01-01

Micrometer Ni–Cu alloy columns have been fabricated by the micro-anode-guided electroplating (MAGE) process in the citrate bath. The surface morphology and chemical composition of the micro-columns were determined by copper concentration in the bath and by the electrical bias of MAGE. When fabricated in a bath of dilute copper (i.e. 4 mM) at lower voltages (e.g. 3.8 and 4.0 V), the alloy micro-columns revealed uniform diameter and smooth appearance. The alloy composition demonstrated an increase in the wt% ratio of Ni/Cu from 75/25, 80/20, 83/17 to 87/13 with increasing electrical bias from 3.8, 4.0, 4.2 to 4.4 V. However, it decreases from 75/25, 57/43 to 47/53 with increasing copper concentration from 4, 8 to 12 mM in the bath. Citrate plays a role in forming complexes with nickel and copper at similar reduction potentials, thus reducing simultaneously to Ni–Cu alloy. The mechanism for fabricating alloy micro-columns could be delineated on the basis of cathodic polarization of the complexes. A couple of micro-columns were fabricated using MAGE in constructing a pure copper micro-column on the top of a Ni/Cu (at 47/53) alloy micro-column. This micro-thermocouple provides a satisfactory measurement with good sensitivity and precision

Estudo das interações entre o complexo polieletrolítico trimetilquitosana/carboximetilcelulose e Cu+2, ácido húmico e atrazina em solução aquosa Study of the interactions between the polyelectrolyte complex trimethylchitosan/carboxymethylcellulose and Cu+2, humic acid and atrazine in aqueous solution

Directory of Open Access Journals (Sweden)

Sergio P. Campana-Filho

2009-01-01

Full Text Available The polyelectrolyte complex (PEC resulting from the reaction of sodium carboxymethylcellulose (CMC and N,N,N-trimethylchitosan hydrochloride (TMQ was prepared and then characterized by infrared spectroscopy and energy dispersive X rays analysis. The interactions involving the PEC and Cu2+ ions, humic acid and atrazine in aqueous medium were studied. From the adsorption isotherms the maximum amount adsorbed (Xmax was determined as 61 mg Cu2+/g PEC, 171 mg humic acid/g PEC and 5 mg atrazine/g PEC. The results show that the CMC/TMQ complex has a high affinity for the studied species, indicating its potential application to remove them from aqueous media.

MOFzyme: Intrinsic protease-like activity of Cu-MOF

Science.gov (United States)

Li, Bin; Chen, Daomei; Wang, Jiaqiang; Yan, Zhiying; Jiang, Liang; Deliang Duan; He, Jiao; Luo, Zhongrui; Zhang, Jinping; Yuan, Fagui

2014-10-01

The construction of efficient enzyme mimetics for the hydrolysis of peptide bonds in proteins is challenging due to the high stability of peptide bonds and the importance of proteases in biology and industry. Metal-organic frameworks (MOFs) consisting of infinite crystalline lattices with metal clusters and organic linkers may provide opportunities for protease mimic which has remained unknown. Herein, we report that Cu2(C9H3O6)4/3 MOF (which is well known as HKUST-1 and denoted as Cu-MOF here), possesses an intrinsic enzyme mimicking activity similar to that found in natural trypsin to bovine serum albumin (BSA) and casein. The Michaelis constant (Km) of Cu-MOF is about 26,000-fold smaller than that of free trypsin indicating a much higher affinity of BSA for Cu-MOF surface. Cu-MOF also exhibited significantly higher catalytic efficiency than homogeneous artificial metalloprotease Cu(II) complexes and could be reused for ten times without losing in its activity. Moreover, Cu-MOF was successfully used to simulate trypsinization in cell culture since it dissociated cells in culture even without EDTA.

Synthesis, characterization and biological studies of metal complexes of Co (II), Ni (II), Cu (II), Zn (II) with sulphadimidine-benzylidene

International Nuclear Information System (INIS)

Tahira, F.; Imran, M.; Iqbal, J.

2009-01-01

Some novel complexes of Co (II), Ni (II), Cu (II), and Zn (II) have been synthesized with a Schiff base ligand derived from sulphadimidine and benzaldehyde. The structural features of the complexes have been determined by elemental analysis, magnetic susceptibility, conductance measurement, UV/ Vis. and infrared spectroscopy. IR studies revealed that the Schiff base ligand Sulphadimidine-benzylidene has monoanionic bidendate nature and coordinate with metal ions through nitrogen atom of azomethine (>C = N) and deprotonated -NH group. All the complexes were assigned octahedral geometry on the basis of magnetic moment and electronic spectroscopic data. Low value of conductance supports their non-electrolytic nature. The ligand, as well as its complexes were checked for their in vitro antimicrobial activities against two gram positive bacterial strains, Bacillus subtillus. Staphylococcus aureus and one gram negative Salmonella typhae and five fungal strains, Nigrospora oryzae, Curvularia lunata, Drechslera rostrata, Aspergillus niger and Candida olbicans by disc diffusion method and agar plate technique, respectively. Both the antibacterial and antitungal activities of the synthesized metal complexes were found to be more as compared to parent drug and uncomplexed ligand. All the complexes contain coordinated water, which is lost at 141-160 degree C. (author)

Carbonate binding to copper(II) in solution: mixed-ligand complex formation and its application to the isolation and separation of the three isomers of [Cu(bpp)(H₂O)][ClO₄]₂ [bpp = 2,6-bis(pyrrolidin-2-yl)pyridine

OpenAIRE

Bernauer, Klaus; Godefroy, Isabelle; Cabort, Amel; Guicher, Nathalie; Stoeckli-Evans, Helen; Süss-Fink, Georg

2006-01-01

The binding of the carbonate anion to [Cu(meso-bpp)(H2O)]2+ and rac-[Cu(bpp)(H2O)]2+ [bpp = 2,6-bis(pyrrolidin-2-yl)pyridine] in aqueous solution has been investigated. Formation constants of the carbonato complexes [Cu(meso-bpp)(CO3)] and rac-[Cu(bpp)(CO3)] (1.02 × 103 M–1 and 1.77 × 103 M–1, respectively, µ= 0.70 M) have been calculated from spectrophotometric measurements. The formation of these Cu2+ complexes can also be used for an improved synthesis and an easy isolation of the three di...

Growth of CuPd nanoalloys encapsulated in carbon-shell

Energy Technology Data Exchange (ETDEWEB)

Kang, H. Y.; Wang, H. P., E-mail: wanghp@mail.ncku.edu.tw [National Cheng Kung University, Department of Environmental Engineering (China)

2013-05-15

Preparation of nanostructured copper-palladium (CuPd) alloys is getting more attention because specific catalytic properties can be tuned by controlling their composition, size, and shape. Thus, a better understanding especially in the formation mechanism of the CuPd nanoalloys is of great importance in designing the catalysts. Growth of CuPd nanoalloys encapsulated in carbon-shell (CuPd-C) was, therefore, studied by in situ synchrotron small-angle X-ray scattering during temperature-programed carbonization (TPC) of the Cu{sup 2+}- and Pd{sup 2+}-{beta}-cyclodextrin complexes. A rapid reduction of Cu{sup 2+} and Pd{sup 2+} with nucleation is found at the temperatures of <423 K, followed by coalescence at 453-573 K. The well-dispersed CuPd nanoalloys having the sizes of 7.6-7.9 nm in diameter are encapsulated in carbon-shell of 1.4-1.8 nm in thickness. The refined extended X-ray absorption fine structure spectra indicate that the bond distances of the first-shell Cu-Pd are 2.61-2.64 A with the coordination numbers of 5.1-5.6. A homogeneous CuPd alloy at the Cu/Pd atomic ratio of 1 is observed. Note that at the high Cu/Pd ratio, Cu is enriched on the CuPd nanoalloy surfaces, attributable to the relatively low surface free energy of Cu.

32 CFR 644.62 - Title evidence.

Science.gov (United States)

2010-07-01

... HANDBOOK Acquisition Procurement of Title Evidence, Title Clearance, and Closings § 644.62 Title evidence... and their charter to issue the same. They must also be financially sound and be willing and able to...

Copper complexation capacity in surface waters of the Venice Lagoon.

Science.gov (United States)

Delgadillo-Hinojosa, Francisco; Zirino, Alberto; Nasci, Cristina

2008-10-01

Total copper (Cu(T)), copper ion activity (pCu) and the copper complexation capacity (CuCC) were determined in samples of seawater collected in July 2003 from the Venice Lagoon. Cu(T) and CuCC showed considerable spatial variability: Cu(T) ranged from 1.8 to 70.0nM, whereas the CuCC varied from 195 to 573nM. pCu values varied from 11.6 to 12.6 and are consistent with those previously reported in estuarine and coastal areas (10.9-14.1). The range of Cu(T) values compares well with those reported in the past in the lagoon and in the adjacent Adriatic Sea. The highest concentrations of Cu(T) were found in samples collected near the industrial area of Porto Marghera, whereas the lowest were measured near the Chioggia and Malamocco inlets, where an intense tidally-driven renewal of seawater takes place. Although CuCC showed a high degree of spatial variability, the values recorded in the Venice Lagoon are comparable to those reported in other estuarine systems. In addition, CuCC was positively correlated with dissolved organic carbon (DOC), suggesting that organic ligands responsible for Cu complexation are part of the bulk organic matter pool in the lagoon. The CuCC:Cu(T) molar ratio was, on average 55:1, indicating that a large excess of complexation capacity exists in the Venice Lagoon. The high levels of CuCC and the narrow range of pCu indicates the importance of the role played by organic ligands in controlling the free ion Cu concentrations in the lagoon, and as a consequence, regulating its availability and/or toxicity.

Title to mining properties

International Nuclear Information System (INIS)

Crouch, K.M.

1976-01-01

The requirements of the law which must be met in order to create title to an unpatented mining claim and the procedures which should be followed when an attempt is made to determine the title to the claim is acceptable are reviewed

Modeling the adsorption of metal ions (Cu 2+, Ni 2+, Pb 2+) onto ACCs using surface complexation models

Science.gov (United States)

Faur-Brasquet, Catherine; Reddad, Zacaria; Kadirvelu, Krishna; Le Cloirec, Pierre

2002-08-01

Activated carbon cloths (ACCs), whose efficiency has been demonstrated for microorganics adsorption from water, were here studied in the removal of metal ions from aqueous solution. Two ACCs are investigated, they are characterized in terms of porosity parameters (BET specific surface area, percentage of microporosity) and chemical characteristics (acidic surface groups, acidity constants, point of zero charge). A first part consists in the experimental study of three metal ions removal (Cu 2+, Ni 2+ and Pb 2+) in a batch reactor. Isotherms modeling by Freundlich and Brunauer-Emmett-Teller (BET) equations enables the following adsorption order: Cu 2+>Ni 2+>Pb 2+ to be determined for adsorption capacities on a molar basis. It may be related to adsorbates characteristics in terms of electronegativity and ionic radius. The influence of adsorbent's microporosity is also shown. Adsorption experiments carried out for pH values ranging from 2 to 10 demonstrate: (i) an adsorption occurring below the precipitation pH; (ii) the strong influence of pH, with a decrease of electrostatic repulsion due to the formation of less charged hydrolyzed species coupled with a decrease of activated carbon surface charge as pH increases. The second part focuses on the modeling of adsorption versus the pH experimental data by the diffuse layer model (DLM) using Fiteql software. The model is efficient to describe the system behavior in the pH range considered. Regarding complexation constants, they show the following affinity for ACC: Pb 2+>Cu 2+>Ni 2+. They are related to initial concentrations used for the three metal ions.

Supramolecular assemblies in [Cu(L-Arg){sub 2}(H{sub 2}O)]C{sub 2}O{sub 4}·6H{sub 2}O complex – Structural, spectroscopic, magnetic and thermal behavior

Energy Technology Data Exchange (ETDEWEB)

Wojciechowska, Agnieszka, E-mail: agnieszka.wojciechowska@pwr.edu.pl [Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspiańskiego 27, 50-370, Wrocław (Poland); Kochel, Andrzej [Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, 50-383, Wrocław (Poland); Duczmal, Marek [Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspiańskiego 27, 50-370, Wrocław (Poland)

2016-10-01

The reaction of L-arginine and oxalate ions with copper(II) salts yields a new complex with formula of [Cu(L-Arg){sub 2}(H{sub 2}O)]·C{sub 2}O{sub 4}·6H{sub 2}O (1) (where L-Arg = L-arginine). Single crystals of 1 were synthesized by crystallization from aqueous solution. The complex properties were characterized by X-ray diffraction, spectroscopy (FT-IR, FT-Raman, NIR-Vis-UV and EPR) as well as thermal and magnetic methods. The square pyramidal (SP) geometry around Cu(II) ions in [Cu(L-Arg){sub 2}(H{sub 2}O)]{sup 2+} cation complex is formed by two cis-chelated L-arginine zwitterions and a water molecule coordinated in the apex of square pyramid. The trigonality distortion of SP geometry is relatively small, τ = 0.0087. The solid state EPR spectrum showed broad hyperfine splitting with g{sub ⊥} = 2.061 at 77 K. The copper centres distanced at 7.558(5) Å are joined in a single zig-zag structure via a chain based on the combination of Cu−O(5)−H(29)⋯O(2)−C1−O1−Cu hydrogen bonds along the b axis (d (O2⋯O5) = 2.812 Å). Taking into account the structural features, the magnetic susceptibility data were best-fitted, giving the exchange parameter J = −0.16 cm{sup −1}. Complex 1 is thermally stable up to 66 °C, where it was observed to lose the crystallization water molecules with an 11.7% mass loss (calc. 11.5%). - Highlights: • Crystal and molecular structure of [Cu(L-Arg){sub 2}(H{sub 2}O)]C{sub 2}O{sub 4}·6H{sub 2}O crystals have been studied. • The magnetic interactions of Cu(II) centres are assisted by the formation of single zig-zag chain. • Role of oxalate ions in completed relatively small square pyramid distortion is described. • The cis-fashioned L-arginine created the stronger ligand field than trans-configuration.

Cooperative effects in CeCu2Si2

International Nuclear Information System (INIS)

Lang, M.; Modler, R.; Ahlheim, U.; Helfrich, R.; Reinders, P.H.P.; Steglich, F.; Assmus, W.; Sun, W.; Bruls, G.; Weber, D.; Luethi, B.

1991-01-01

Heavy-fermion superconductivity and other cooperative effects have been explored by thermal expansion, specific heat and ultrasound measurements on CeCu 2 Si 2 single crystals. Crystals annealed under Cu atmosphere show sharp superconducting transitions at Tc max =0.63 K. At the same temperature the ''as grown'', i.e., non-bulk-superconducting, crystals reveal a pronounced phase-transition anomaly, presumably of structural origin. This new transition is associated with an expansion of the volume upon cooling and gives rise to magnetic correlations. Our results indicate a complex interplay between lattice instability, magnetic phenomena and superconductivity in CeCu 2 Si 2 . (orig.)

Copper-based nanoparticles prepared from copper (II acetate bipyridine complex

Directory of Open Access Journals (Sweden)

Lastovina Tatiana A.

2016-01-01

Full Text Available We report the synthesis of CuO, Cu/Cu2O and Cu2O/CuO nanoparticles (NPs from the single copper (II acetate bipyridine complex by three different methods:microwave-assisted, solvothermal and borohydride. Presence of bipyridine ligand in the copper complex would impose no need in additional stabilization during synthesis. The phases of formed NPs were identified by X-ray diffraction. CuO NPs of ~11 nm were obtained via solvothermal synthesis from alkaline solution at 160°C. The Cu/Cu2O NPs of ~80 nm were produced via microwave-assisted polyol procedure at 185-200°C, where ethylene glycol can play a triple role as a solvent, a reducing agent and a surfactant. The Cu2O/CuO NPs of ~16 nm were synthesized by a borohydride method at room temperature. Interplanar spacing calculated from the selected-area electron diffraction data confirmed the formation of Cu, CuO and Cu2O phases in respective samples. All NPs are stable and can be used for various applications including biomedicine.

Identification of different coordination geometries by XAFS in copper(II) complexes with trimesic acid

Science.gov (United States)

Gaur, A.; Klysubun, W.; Soni, Balram; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

2016-10-01

X-ray absorption spectroscopy (XAS) is very useful in revealing the information about geometric and electronic structure of a transition-metal absorber and thus commonly used for determination of metal-ligand coordination. But XAFS analysis becomes difficult if differently coordinated metal centers are present in a system. In the present investigation, existence of distinct coordination geometries around metal centres have been studied by XAFS in a series of trimesic acid Cu(II) complexes. The complexes studied are: Cu3(tma)2(im)6 8H2O (1), Cu3(tma)2(mim)6 17H2O (2), Cu3(tma)2(tmen)3 8.5H2O (3), Cu3(tma) (pmd)3 6H2O (ClO4)3 (4) and Cu3(tma)2 3H2O (5). These complexes have not only Cu metal centres with different coordination but in complexes 1-3, there are multiple coordination geometries present around Cu centres. Using XANES spectra, different coordination geometries present in these complexes have been identified. The variation observed in the pre-edge features and edge features have been correlated with the distortion of the specific coordination environment around Cu centres in the complexes. XANES spectra have been calculated for the distinct metal centres present in the complexes by employing ab-initio calculations. These individual spectra have been used to resolve the spectral contribution of the Cu centres to the particular XANES features exhibited by the experimental spectra of the multinuclear complexes. Also, the variation in the 4p density of states have been calculated for the different Cu centres and then correlated with the features originated from corresponding coordination of Cu. Thus, these spectral features have been successfully utilized to detect the presence of the discrete metal centres in a system. The inferences about the coordination geometry have been supported by EXAFS analysis which has been used to determine the structural parameters for these complexes.

Positron annihilation spectroscopy study on annealing effect of CuO nanoparticles

International Nuclear Information System (INIS)

Shi, Jianjian; Wang, Jiaheng; Yang, Wei; Zhu, Zhejie; Wu, Yichu

2016-01-01

The microstructure and defects of CuO nanoparticles under isochronal annealing were investigated by positron annihilation spectroscopy (PAS), X-ray diffraction (XRD) and scanning electron microscope (SEM). XRD and SEM results indicated that the average grain sizes of CuO nanoparticles grew slowly below 800 °C, and then increased rapidly with the annealing temperature from 800 to 1000 °C. Positron lifetime analysis exhibited that positrons were mainly annihilated in mono-vacancies (V Cu , V O ) and vacancy clusters when annealing from 200 to 800 °C. Furthermore, W-S plot of Doppler broadening spectra at different annealing temperatures found that the (W, S) points distributed on two different defect species, which suggested that V − Cu - V + O complexes were produced when the grains grew to bigger size after annealing above 800 °C, and positrons might annihilate at these complexes. (author)

Positron annihilation spectroscopy study on annealing effect of CuO nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Shi, Jianjian; Wang, Jiaheng; Yang, Wei; Zhu, Zhejie; Wu, Yichu, E-mail: ycwu@whu.edu.cn [School of Physics and Technology, Hubei Key Laboratory of Nuclear Solid State Physics, Wuhan University (WHU), Wuhan (China)

2016-03-15

The microstructure and defects of CuO nanoparticles under isochronal annealing were investigated by positron annihilation spectroscopy (PAS), X-ray diffraction (XRD) and scanning electron microscope (SEM). XRD and SEM results indicated that the average grain sizes of CuO nanoparticles grew slowly below 800 °C, and then increased rapidly with the annealing temperature from 800 to 1000 °C. Positron lifetime analysis exhibited that positrons were mainly annihilated in mono-vacancies (V{sub Cu}, V{sub O}) and vacancy clusters when annealing from 200 to 800 °C. Furthermore, W-S plot of Doppler broadening spectra at different annealing temperatures found that the (W, S) points distributed on two different defect species, which suggested that V{sup −}{sub Cu} - V{sup +}{sub O} complexes were produced when the grains grew to bigger size after annealing above 800 °C, and positrons might annihilate at these complexes. (author)

Cu(II) Binding to the Peptide Ala-His-His, a Chimera of the Canonical Cu(II)-Binding Motifs Xxx-His and Xxx-Zzz-His.

Science.gov (United States)

Gonzalez, Paulina; Vileno, Bertrand; Bossak, Karolina; El Khoury, Youssef; Hellwig, Petra; Bal, Wojciech; Hureau, Christelle; Faller, Peter

2017-12-18

Peptides and proteins with the N-terminal motifs NH 2 -Xxx-His and NH 2 -Xxx-Zzz-His form well-established Cu(II) complexes. The canonical peptides are Gly-His-Lys and Asp-Ala-His-Lys (from the wound healing factor and human serum albumin, respectively). Cu(II) is bound to NH 2 -Xxx-His via three nitrogens from the peptide and an external ligand in the equatorial plane (called 3N form here). In contrast, Cu(II) is bound to NH 2 -Xxx-Zzz-His via four nitrogens from the peptide in the equatorial plane (called 4N form here). These two motifs are not mutually exclusive, as the peptides with the sequence NH 2 -Xxx-His-His contain both of them. However, this chimera has never been fully explored. In this work, we use a multispectroscopic approach to analyze the Cu(II) binding to the chimeric peptide Ala-His-His (AHH). AHH is capable of forming the 3N- and 4N-type complexes in a pH dependent manner. The 3N form predominates at pH ∼ 4-6.5 and the 4N form at ∼ pH 6.5-10. NMR experiments showed that at pH 8.5, where Cu(II) is almost exclusively bound in the 4N form, the Cu(II)-exchange between AHH or the amidated AHH-NH 2 is fast, in comparison to the nonchimeric 4N form (AAH). Together, the results show that the chimeric AHH can access both Cu(II) coordination types, that minor changes in the second (or further) coordination sphere can impact considerably the equilibrium between the forms, and that Cu kinetic exchange is fast even when Cu-AHH is mainly in the 4N form.

Deuterium transport in Cu, CuCrZr, and Cu/Be

Science.gov (United States)

Anderl, R. A.; Hankins, M. R.; Longhurst, G. R.; Pawelko, R. J.

This paper presents the results of deuterium implantation/permeation experiments and TMAP4 simulations for a CuCrZr alloy, for OFHC-Cu and for a Cu/Be bi-layered structure at temperatures from 700 to 800 K. Experiments used a mass-analyzed, 3-keV D 3+ ion beam with particle flux densities of 5 × 10 19 to 7 × 10 19 D/m 2 s. Effective diffusivities and surface molecular recombination coefficients were derived giving Arrhenius pre-exponentials and activation energies for each material: CuCrZr alloy, (2.0 × 10 -2 m 2/s, 1.2 eV) for diffusivity and (2.9 × x10 -14 m 4/s, 1.92 eV) for surface molecular recombination coefficients; OFHC Cu, (2.1 × 10 -6 m 2/s, 0.52 eV) for diffusivity and (9.1 × 10 -18 m 4/s, 0.99 eV) for surface molecular recombination coefficients. TMAP4 simulation of permeation data measured for a Cu/Be bi-layer sample was achieved using a four-layer structure (Cu/BeO interface/Be/BeO back surface) and recommended values for diffusivity and solubility in Be, BeO and Cu.

and hetero-dinuclear complexes with a new septadentate Schiff

Indian Academy of Sciences (India)

Unknown

disulphide yields a septadentate Schiff base with N2SO4 donor frame of which ..... bond has been calculated according to the published method 25 and the .... complexes exhibit CuII → CuIII oxidation and CuII → CuI reduction reaction at cyclic.

Study of interfacial reactions in Sn-3.5Ag-3.0Bi and Sn-8.0Zn-3.0Bi sandwich structure solder joint with Ni(P)/Cu metallization on Cu substrate

International Nuclear Information System (INIS)

Sun, Peng; Andersson, Cristina; Wei, Xicheng; Cheng, Zhaonian; Shangguan, Dongkai; Liu, Johan

2007-01-01

In this paper, the coupling effect in Sn-3.5Ag-3.0Bi and Sn-8.0Zn-3.0Bi solder joint with sandwich structure by long time reflow soldering was studied. It was found that the interfacial compound at the Cu substrate was binary Cu-Sn compound in Sn-Ag-Bi solder joint and Cu 5 Zn 8 phase in Sn-Zn-Bi solder joint. The thickness of the Cu-Zn compound layer formed at the Cu substrate was greater than or equal to that of Cu-Sn compound layer, although the reflow soldering temperature of Sn-Zn-Bi (240 o C) was lower than that of Sn-Ag-Bi (250 o C). The stable Cu-Zn compound was the absolute preferential phase in the interfacial layer between Sn-Zn-Bi and the Cu substrate. The ternary (Cu, Ni) 6 Sn 5 compound was formed at the Sn-Ag-Bi/Ni(P)-Cu metallization interface, and a complex alloy Sn-Ni-Cu-Zn was formed at the Sn-Zn-Bi/Ni(P)-Cu metallization interface. It was noted that Cu atoms could diffuse from the Cu substrate through the solder matrix to the Ni(P)-Cu metallization within 1 min reflow soldering time for both solder systems, indicating that just 30 s was long enough for Cu to go through 250 μm diffusion length in the Sn-Ag-Bi solder joint at 250 o C. The coupling effect between Ni(P)/Cu metallization and Cu substrate was confirmed as the type of IMCs at Ni(P) layer had been changed from Ni-Sn system to Cu-Sn system apparently by the diffusion effect of Cu atoms. The (Cu, Ni) 6 Sn 5 layer at the Ni(P)/Cu metallization grew significantly and its thickness was even greater than that of the Cu-Sn compound on the opposite side, however the growth of the complex alloy including Sn, Ni, Cu and Zn on the Ni(P)/Cu metallization was suppressed

Syntheses, structures, and magnetic properties of a family of heterometallic heptanuclear [Cu5Ln2] (Ln = Y(III), Lu(III), Dy(III), Ho(III), Er(III), and Yb(III)) complexes: observation of SMM behavior for the Dy(III) and Ho(III) analogues.

Science.gov (United States)

Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Rouzières, Mathieu; Clérac, Rodolphe

2013-03-04

Sequential reaction of the multisite coordination ligand (LH3) with Cu(OAc)2·H2O, followed by the addition of a rare-earth(III) nitrate salt in the presence of triethylamine, afforded a series of heterometallic heptanuclear complexes containing a [Cu5Ln2] core {Ln = Y(1), Lu(2), Dy(3), Ho(4), Er(5), and Yb(6)}. Single-crystal X-ray crystallography reveals that all the complexes are dicationic species that crystallize with two nitrate anions to compensate the charge. The heptanuclear aggregates in 1-6 are centrosymmetrical complexes, with a hexagonal-like arrangement of six peripheral metal ions (two rare-earth and four copper) around a central Cu(II) situated on a crystallographic inversion center. An all-oxygen environment is found to be present around the rare-earth metal ions, which adopt a distorted square-antiprismatic geometry. Three different Cu(II) sites are present in the heptanuclear complexes: two possess a distorted octahedral coordination sphere while the remaining one displays a distorted square-pyramidal geometry. Detailed static and dynamic magnetic properties of all the complexes have been studied and revealed the single-molecule magnet behavior of the Dy(III) and Ho(III) derivatives.

INIS: Authority list for journal titles

International Nuclear Information System (INIS)

2005-01-01

This is the 31st revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13,104 journal titles, 2,078 regularly scanned journals and 561 key journals. It was last updated in February 2005. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part III, all journals that are regularly scanned by INIS Centers are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part IV, all journals that are regularly scanned by INIS Centers are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part V, all journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part VI, all journals are sorted alphabetically under their title. The name of the

INIS: Authority list for journal titles

Energy Technology Data Exchange (ETDEWEB)

NONE

2005-03-01

This is the 31st revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13,104 journal titles, 2,078 regularly scanned journals and 561 key journals. It was last updated in February 2005. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part III, all journals that are regularly scanned by INIS Centers are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part IV, all journals that are regularly scanned by INIS Centers are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part V, all journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part VI, all journals are sorted alphabetically under their title. The name of the

INIS: Authority list for journal titles

International Nuclear Information System (INIS)

2006-01-01

This is the 32nd revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13,231 journal titles, 2,125 regularly scanned journals and 555 key journals. It was last updated in February 2006. The purpose of this report is to provide descriptive cataloguers with a standard entry for the full title of a journal. In addition to the full journal title, the ISSN (International Standard Serial Number), administered by the ISSN International Centre, Paris, France, and/or CODEN, assigned by Chemical Abstracts Service, USA, are given in this manual. In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part III, all journals that are regularly scanned by INIS Centres are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part IV, all journals that are regularly scanned by INIS Centres are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. In Part V, all journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. In Part VI, all journals are sorted alphabetically under their title. The name of the

Hydrothermal synthesis and structure of a novel 3D framework based on ξ-octamolybdate chains: [Cu2(quinoxaline)2Mo4O13]n

International Nuclear Information System (INIS)

Chen Lijuan; Lu Canzhong; He Xiang; Zhang Quanzheng; Yang Wenbin; Lin Xinhua

2006-01-01

An unprecedented three-dimensional (3D) polymer [Cu 2 (quinoxaline) 2 Mo 4 O 13 ] n , formed from ξ-octamolybdate chains as building units and pairs of 1D [Cu(quinoxaline)] n n+ polymeric chains as linkers, provides the first example of an extended higher dimensional structure based on [Mo 8 O 26 ] n 4n- octamolybdate chain. The basic building block of the octamolybdate chain included in the title compound is first reported to be constructed from ξ-isomer of octamolybdate unit

Effects of organic complexed or inorganic Co, Cu, Mn and Zn supplementation during a 45-day preconditioning period on productive and health responses of feeder cattle.

Science.gov (United States)

Lippolis, K D; Cooke, R F; Silva, L G T; Schubach, K M; Brandao, A P; Marques, R S; Larson, C K; Russell, J R; Arispe, S A; DelCurto, T; Bohnert, D W

2017-11-01

This experiment evaluated production and health parameters among cattle offered concentrates containing inorganic or organic complexed sources of supplemental Cu, Co, Mn and Zn during a 45-day preconditioning period. In total, 90 Angus×Hereford calves were weaned at 7 months (day -1), sorted by sex, weaning BW and age (261±2 kg; 224±2 days), and allocated to 18 drylot pens (one heifer and four steers per pen) on day 0; thus, all pens had equivalent initial BW and age. Pens were randomly assigned to receive a corn-based preconditioning concentrate containing: (1) Cu, Co, Mn and Zn sulfate sources (INR), (2) Cu, Mn, Co and Zn complexed organic source (AAC) or (3) no Cu, Co, Mn and Zn supplementation (CON). From day 0 to 45, cattle received concentrate treatments (2.7 kg/animal daily, as-fed basis) and had free-choice access to orchardgrass (Dactylis glomerata L.), long-stem hay and water. The INR and AAC treatments were formulated to provide the same daily amount of Co, Cu, Mn and Zn at a 50-, 16-, 8- and ninefold increase, respectively, compared with the CON treatment. On day 46, cattle were transported to a commercial feedlot, maintained as a single pen, and offered a free-choice receiving diet until day 103. Calf full BW was recorded on days -1 and 0, 45 and 46, and 102 and 103 for average daily gain (ADG) calculation. Liver biopsy was performed on days 0 (used as covariate), 22 and 45. Cattle were vaccinated against respiratory pathogens on days 15, 29 and 46. Blood samples were collected on days 15, 29, 45, 47, 49, 53 and 60. During preconditioning, mean liver concentrations of Co, Zn and Cu were greater (P⩽0.03) in AAC and INR compared with CON. No treatment effects were detected (P⩾0.17) for preconditioning feed intake, ADG or feed efficiency. No treatment effects were detected (P⩾0.48) for plasma concentrations of antibodies against Mannheimia haemolytica, bovine viral diarrhea types 1 and 2 viruses. Plasma haptoglobin concentrations were similar

Synthesis, spectroscopic and DNA binding ability of Co{sup II}, Ni{sup II}, Cu{sup II} and Zn{sup II} complexes of Schiff base ligand (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol. X-ray crystal structure determination of cobalt (II) complex

Energy Technology Data Exchange (ETDEWEB)

Yarkandi, Naeema H. [Chemistry Department, Faculty of Applied Science, Umm Al–Qura University, Makkah (Saudi Arabia); El-Ghamry, Hoda A., E-mail: helghamrymo@yahoo.com [Chemistry Department, Faculty of Applied Science, Umm Al–Qura University, Makkah (Saudi Arabia); Chemistry Department, Faculty of Science, Tanta University, Tanta (Egypt); Gaber, Mohamed [Chemistry Department, Faculty of Science, Tanta University, Tanta (Egypt)

2017-06-01

A novel Schiff base ligand, (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol (HL), has been designed and synthesized in addition to its metal chelates [Co(L){sub 2}]·l2H{sub 2}O, [Ni(L)Cl·(H{sub 2}O){sub 2}].5H{sub 2}O, [Cu(L)Cl] and [Zn(L)(CH{sub 3}COO)]. The structures of the isolated compounds have been confirmed and identified by means of different spectral and physicochemical techniques including CHN analysis, {sup 1}H &{sup 13}C NMR, mass spectral analysis, molar conductivity measurement, UV–Vis, infrared, magnetic moment in addition to TGA technique. The infrared spectral results ascertained that the ligand acts as monobasic tridentate binding to the metal centers via deprotonated hydroxyl oxygen, azomethine and imidazole nitrogen atoms. The UV–Vis, magnetic susceptibility and molar conductivity data implied octahedral geometry for Co(II) & Ni(II) complexes, tetrahedral for Zn(II) complex and square planar for Cu(II) complex. X-ray structural analysis of Co(II) complex 1 has been reported and discussed. Moreover, the type of interaction between the ligand & its complexes towards salmon sperm DNA (SS-DNA) has been examined by the measurement of absorption spectra and viscosity which confirmed that the ligand and its complexes interact with DNA via intercalation interaction as concluded from the values of binding constants (K{sub b}). - Highlights: • Synthesis of Co{sup II}, Ni{sup II}, Cu{sup II} and Zn{sup II} complexes of the Schiff base ligand based on 2-(aminomethyl)benzimidazole moiety. • The constitutions and structures of the ligand and complexes were elucidated. • Molecular structure of Co{sup II} complex was confirmed by single crystal X-ray diffraction method. • The ligand and its complexes interact with SS-DNA via intercalation mods.

Mixed ligand complexes of Cu(II)/Zn(II) ions containing (m-)/(p-) carboxylato phenyl azo pentane 2,4-dione and 2,2'-bipyridine/1,10 phenanthroline: Synthesis, characterization, DNA binding, nuclease and topoisomerase I inhibitory activity.

Science.gov (United States)

Hasan, Md Amin; Kumari, Niraj; Singh, Kanhaiya; Singh, Kiran; Mishra, Lallan

2016-01-05

Metal complexes of type [Cu(L1H)2(bpy)] (1), [Zn(L1H)2(bpy)] (2), [Cu(L2H)2(bpy)] (3) and [Cu(L2H)2(Phen)] (4) (L1H2=3-[N'-(1-acetyl-2-oxo-propylidene)-hydrazino]-benzoic acid, L2H2=4-[N'-(1-acetyl-2-oxo-propylidene)-hydrazino]-benzoic acid, bpy=2,2'-bipyridine, Phen=1,10 phenanthroline) are synthesized and characterized using spectroscopic techniques (FT-IR, (1)H NMR, (13)C NMR, electronic absorption and emission) and elemental analysis data. The assembly of the complexes involving intramolecular H-bonding is displayed using corresponding crystal structure. Binding of the complexes separately with Calf Thymus DNA is monitored using UV-vis spectral titrations. The displacement of ethidium bromide (EB) bound to DNA by the complexes, in phosphate buffer solution (pH∼7.2) is monitored using fluorescence spectral titrations. Nuclease activity of the complexes follow the order 4>3>1>2. The gel electrophoretic mobility assay measurement in presence of minor groove binder 4',6-diamidino-2-phenylindole (DAPI), suggests that complexes preferably bind with the minor groove of DNA. Topoisomerase I inhibitory activity of the complexes 3 and 4 inhibit topoisomerase I activity with IC50 values of 112 and 87μM respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

Formation of uniform carrot-like Cu31S16-CuInS2 heteronanostructures assisted by citric acid at the oil/aqueous interface.

Science.gov (United States)

Li, Yongjie; Tang, Aiwei; Liu, Zhenyang; Peng, Lan; Yuan, Yi; Shi, Xifeng; Yang, Chunhe; Teng, Feng

2018-01-07

A simple two-phase strategy was developed to prepare Cu 31 S 16 -CuInS 2 heterostructures (HNS) at the oil/aqueous interface, in which the In(OH) 3 phase was often obtained in the products due to the reaction between indium ions and hydroxyl ions in the aqueous phase. To prevent the formation of the In(OH) 3 phase, citric acid was incorporated into the aqueous phase to assist in the synthesis of uniform carrot-like Cu 31 S 16 -CuInS 2 semiconductor HNS at the oil/aqueous interface for the first time. By manipulating the dosage of citric acid and Cu/In precursor ratios, the morphology of the Cu 31 S 16 -CuInS 2 HNS could be tailored from mushroom to carrot-like, and the presence of citric acid played a critical role in the synthesis of high-quality Cu 31 S 16 -CuInS 2 HNS, which inhibited the formation of the In(OH) 3 phase due to the formation of the indium(iii)-citric acid complex. The formation mechanism was studied by monitoring the morphology and phase evolution of the Cu 31 S 16 -CuInS 2 HNS with reaction time, which revealed that the Cu 31 S 16 seeds were first formed and then the cation-exchange reaction directed the subsequent anisotropic growth of the Cu 31 S 16 -CuInS 2 HNS.

Poly[{μ2-1,2-bis[4-(3-pyridylpyrimidin-2-ylsulfanyl]ethane}di-μ2-cyanido-dicopper(I

Directory of Open Access Journals (Sweden)

Lin Cheng

2008-07-01

Full Text Available The asymmetric unit of the title complex, [Cu2(CN2(C20H16N6S2]n, contains one CuI cation, one cyanide ligand and half of a centrosymmetric 1,2-bis[4-(3-pyridylpyrimidin-2-ylsulfanyl]ethane (bppe ligand. The CuI atom displays a trigonal coordination geometry, being surrounded by one C atom from one cyanide anion and two N atoms from one cyanide and one bppe ligand. In the complex, each cyanide anion links two CuI atoms in a bis-monodentate mode into a zigzag [–Cu—CN–]n chain. Two parallel chains are linked by bppe ligands into a ladder chain.

Copper(II) manganese(II) orthophosphate, Cu_0.5Mn_2.5(PO₄)₂

DEFF Research Database (Denmark)

Warner, Terence Edwin; Bond, Andrew; Foghmoes, Søren Preben Vagn

2011-01-01

The title compound, Cu0.5Mn2.5(PO4)2, is a copper-manganese phosphate solid solution with the graftonite-type structure, (Mn,Fe,Ca,Mg)3(PO4)2. The structure has three distinct metal cation sites, two of which are occupied exclusively by MnII, and one of which accommodates CuII. Incorporation of C......II into the structure distorts the coordination geometry of the metal cation site from 5-coordinate square-pyramidal towards 4-coordinate flattened tetrahedral, and serves to contract the structure principally along the c axis....

XAFS study of copper(II) complexes with square planar and square pyramidal coordination geometries

Science.gov (United States)

Gaur, A.; Klysubun, W.; Nitin Nair, N.; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

2016-08-01

X-ray absorption fine structure of six Cu(II) complexes, Cu2(Clna)4 2H2O (1), Cu2(ac)4 2H2O (2), Cu2(phac)4 (pyz) (3), Cu2(bpy)2(na)2 H2O (ClO4) (4), Cu2(teen)4(OH)2(ClO4)2 (5) and Cu2(tmen)4(OH)2(ClO4)2 (6) (where ac, phac, pyz, bpy, na, teen, tmen = acetate, phenyl acetate, pyrazole, bipyridine, nicotinic acid, tetraethyethylenediamine, tetramethylethylenediamine, respectively), which were supposed to have square pyramidal and square planar coordination geometries have been investigated. The differences observed in the X-ray absorption near edge structure (XANES) features of the standard compounds having four, five and six coordination geometry points towards presence of square planar and square pyramidal geometry around Cu centre in the studied complexes. The presence of intense pre-edge feature in the spectra of four complexes, 1-4, indicates square pyramidal coordination. Another important XANES feature, present in complexes 5 and 6, is prominent shoulder in the rising part of edge whose intensity decreases in the presence of axial ligands and thus indicates four coordination in these complexes. Ab initio calculations were carried out for square planar and square pyramidal Cu centres to observe the variation of 4p density of states in the presence and absence of axial ligands. To determine the number and distance of scattering atoms around Cu centre in the complexes, EXAFS analysis has been done using the paths obtained from Cu(II) oxide model and an axial Cu-O path from model of a square pyramidal complex. The results obtained from EXAFS analysis have been reported which confirmed the inference drawn from XANES features. Thus, it has been shown that these paths from model of a standard compound can be used to determine the structural parameters for complexes having unknown structure.

7 CFR 1927.55 - Title clearance services.

Science.gov (United States)

2010-01-01

... REGULATIONS TITLE CLEARANCE AND LOAN CLOSING Real Estate Title Clearance and Loan Closing § 1927.55 Title clearance services. (a) Responsibilities of closing agents. Services to be provided to the agency and the borrower by a closing agent in connection with the transaction vary depending on whether a title insurance...

Analyzing the defect structure of CuO-doped PZT and KNN piezoelectrics from electron paramagnetic resonance.

Science.gov (United States)

Jakes, Peter; Kungl, Hans; Schierholz, Roland; Eichel, Rüdiger-A

2014-09-01

The defect structure for copper-doped sodium potassium niobate (KNN) ferroelectrics has been analyzed with respect to its defect structure. In particular, the interplay between the mutually compensating dimeric (Cu(Nb)'''-V(O)··) and trimeric (V(O)··-Cu(Nb)'''-V(O)··)· defect complexes with 180° and non-180° domain walls has been analyzed and compared to the effects from (Cu'' - V(O)··)(x)× dipoles in CuO-doped lead zirconate titanate (PZT). Attempts are made to relate the rearrangement of defect complexes to macroscopic electromechanical properties.

Cu(II) AND Zn(II)

African Journals Online (AJOL)

Preferred Customer

SYNTHESIS OF 2,2-DIMETHYL-4-PHENYL-[1,3]-DIOXOLANE USING ZEOLITE. ENCAPSULATED Co(II), Cu(II) AND Zn(II) COMPLEXES. B.P. Nethravathi1, K. Rama Krishna Reddy2 and K.N. Mahendra1*. 1Department of Chemistry, Bangalore University, Bangalore-560001, India. 2Department of Chemistry, Government ...

Effects of Copper Exchange Levels on Complexation of Ammonia in ...

African Journals Online (AJOL)

NJD

Cation exchange, catalysis, copper, complexation, copper ammines. 1. Introduction ... ammonia is able to de-link Cu2+ ions away from the influence of .... Figure 1 DRS of CuX at different concentration levels of Cu/UC: (a). 38 Cu/UC, (b) 24 ...

Complexity Leadership Theory: A United States Marine Corps Historical Overlay

Science.gov (United States)

2017-05-25

DD-MM-YYYY) 23-04-2017 2. REPORT TYPE Master’s Thesis 3. DATES COVERED (From - To) JUN 2016 – MAY 2017 4. TITLE AND SUBTITLE Complexity...Monograph Title : Complexity Leadership Theory : A United States Marine Corps Historical Overlay Approved by...General Ridgway’s Success in Korea.” Master’s thesis , United States Army Command and General Staff College, 2010. Diana, Gabriel. “Vision, Education

Mixed ligand complexes of Cu(II)/Zn(II) ions containing (m-)/(p-) carboxylato phenyl azo pentane 2,4-dione and 2,2‧-bipyridine/1,10 phenanthroline: Synthesis, characterization, DNA binding, nuclease and topoisomerase I inhibitory activity

Science.gov (United States)

Hasan, Md. Amin; Kumari, Niraj; Singh, Kanhaiya; Singh, Kiran; Mishra, Lallan

2016-01-01

Metal complexes of type [Cu(L1H)2(bpy)] (1), [Zn(L1H)2(bpy)] (2), [Cu(L2H)2(bpy)] (3) and [Cu(L2H)2(Phen)] (4) (L1H2 = 3-[N‧-(1-acetyl-2-oxo-propylidene)-hydrazino]-benzoic acid, L2H2 = 4-[N‧-(1-acetyl-2-oxo-propylidene)-hydrazino]-benzoic acid, bpy = 2,2‧-bipyridine, Phen = 1,10 phenanthroline) are synthesized and characterized using spectroscopic techniques (FT-IR, 1H NMR, 13C NMR, electronic absorption and emission) and elemental analysis data. The assembly of the complexes involving intramolecular H-bonding is displayed using corresponding crystal structure. Binding of the complexes separately with Calf Thymus DNA is monitored using UV-vis spectral titrations. The displacement of ethidium bromide (EB) bound to DNA by the complexes, in phosphate buffer solution (pH ∼ 7.2) is monitored using fluorescence spectral titrations. Nuclease activity of the complexes follow the order 4 > 3 > 1 > 2. The gel electrophoretic mobility assay measurement in presence of minor groove binder 4‧,6-diamidino-2-phenylindole (DAPI), suggests that complexes preferably bind with the minor groove of DNA. Topoisomerase I inhibitory activity of the complexes 3 and 4 inhibit topoisomerase I activity with IC50 values of 112 and 87 μM respectively.

Thermally-activated vortex dynamics in bismuth calcium strontium copper oxide (Bi2CaSr2Cu2O8+δ) studied by complex susceptibility measurements

NARCIS (Netherlands)

Emmen, J.H.P.M.; Brabers, V.A.M.; Jonge, de W.J.M.

1991-01-01

Complex AC magnetic susceptibility has been measured on Bi2CaSr2Cu2O8+d single crystals with hnc, Hdc|c-axis. It will be shown that field, frequency and temperature dependence of both ¿' and ¿¿ in a constant but sufficiently large DC magnetic field can quantitatively be described by

Resolution of D- and L-glucoses by chiral N-octyl-beta-D-glycoside-Cu(II) complex adsorbed at the gas/liquid interface of small bubbles

NARCIS (Netherlands)

Sakai, M.; Miyazawa, K.; Jitsumatsu, H.; Kamio, K.; Mitsuiki, S.; Toh, N.; Sugihara, G.; Norde, W.

2010-01-01

A new technique of the jet drop method (JDM) was applied to a chiral molecular discrimination of optically active D- or L-glucose (guest) by chiral N-octyl-beta-D-glycoside (O beta DG)-Cu(II) complex (host) at the gas/liquid interface of small bubbles. The discrimination of glucoses as the guests is

The DFT Calculations of Structures and EPR Parameters for the Dinuclear Paddle-Wheel Copper(II) Complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3) as Powder or Single Crystal

Science.gov (United States)

Ding, Chang-Chun; Wu, Shao-Yi; Xu, Yong-Qiang; Zhang, Li-Juan; Zhang, Zhi-Hong; Zhu, Qin-Sheng; Wu, Ming-He; Teng, Bao-Hua

2017-10-01

Density functional theory (DFT) calculations of the structures and the Cu2+ g factors (gx, gy and gz ) and hyperfine coupling tensor A (Ax , Ay and Az ) were performed for the paddle-wheel (PW)-type binuclear copper(II) complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3) powder and single crystal. Calculations were carried out with the ORCA software using the functionals BHandHlyp, B3P86 and B3LYP with five different basis sets: 6-311g, 6-311g(d,p), VTZ, def-2 and def2-TZVP. Results were tested by the MPAD analysis to find the most suitable functional and basis sets. The electronic structure and covalency between copper and oxygen were investigated by the electron localisation function and the localised orbital locator as well as the Mayer bond order for the [CuO5] group. The optical spectra were theoretically calculated by the time-dependent DFT module and plotted by the Multiwfn program for the [CuO5] group and reasonably associated with the local structure in the vicinity of the central ion copper. In addition, the interactions between the OCNH2CH3, NH3 and H2O molecules and the uncoordinated PW copper(II) complex were studied, and the corresponding adsorption energies, the frequency shifts with respect to the free molecules and the changes of the Cu-Cu distances were calculated and compared with the relevant systems.

National Ignition Facility Title II Design Plan

International Nuclear Information System (INIS)

Kumpan, S

1997-01-01

This National Ignition Facility (NIF) Title II Design Plan defines the work to be performed by the NIF Project Team between November 1996, when the U.S. Department of Energy (DOE) reviewed Title I design and authorized the initiation of Title H design and specific long-lead procurements, and September 1998, when Title 11 design will be completed

benzimidazole metal complexes

Indian Academy of Sciences (India)

aUnité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, Université des Frères. Mentouri .... determine the quantum chemical parameters for the title ..... retical study of benzazole thioether and its zinc complex.

Metal distributions in complexes with Chlorella vulgaris in seawater and wastewater

Energy Technology Data Exchange (ETDEWEB)

Pascucci, P.R.; Kowalak, A.D.

1999-10-01

Divalent cadmium (Cd), copper (Cu), iron (Fe), nickel (Ni), lead (Pb), and zinc (Zn) simultaneous complexes with an algal biomass Chlorella vulgaris were studied for bioremediation purposes in various aqueous media: distilled-deionized water (DDIW), seawater, nuclear-reactor pool water, and process wastewater. Reactions were monitored using various dry masses of algae at constant temperature and constant metal concentrations for reaction times ranging from 0 to 150 minutes. Complexes occurred within 30 minutes and reached a steady state after 80 to 120 minutes. Distribution constants (K{prime}{sub d}) were calculated for the complexes and relative orders of K{prime}{sub d} were reported. The K{prime}{sub d} are used to evaluate relative efficiency of metal remediation from waters. Lead, Cu, and Ni complexes had the greatest K{prime}{sub d} values and those metals were most efficiently removed from these waters. Zinc and Fe formed the most labile complexes. The order of K{prime}{sub d} values for complexes in DDIW was Pb > Cu > Cd > Zn, then Cu > Cd > Zn in seawater, Cd > Cu > Zn in reactor pool water, and Ni > Cd > Cu > Zn > Fe in wastewater. C. vulgaris biomass may potentially be used as an alternative to traditional water treatment methods for simultaneous extraction of metals from seawater, process wastewater, or drinking water.

24 CFR 202.12 - Title II.

Science.gov (United States)

2010-04-01

... INSTITUTIONS AND MORTGAGEES Title I and Title II Specific Requirements § 202.12 Title II. (a) Tiered pricing—(1... rate up to two percentage points under the mortgagee's customary lending practices must be based on... after accounting for the value of servicing rights generated by making the loan and other income to the...

Demetalation of Fe, Mn, and Cu chelates and complexes: application to the NMR analysis of micronutrient fertilizers.

Science.gov (United States)

López-Rayo, Sandra; Lucena, Juan J; Laghi, Luca; Cremonini, Mauro A

2011-12-28

The application of nuclear magnetic resonance (NMR) for the quality control of fertilizers based on Fe(3+), Mn(2+), and Cu(2+) chelates and complexes is precluded by the strong paramagnetism of metals. Recently, a method based on the use of ferrocyanide has been described to remove iron from commercial iron chelates based on the o,o-EDDHA [ethylenediamine-N,N'bis(2-hydroxyphenylacetic)acid] chelating agent for their analysis and quantification by NMR. The present work extended that procedure to other paramagnetic ions, manganese and copper, and other chelating, EDTA (ethylenediaminetetraacetic acid), IDHA [N-(1,2-dicarboxyethyl)-d,l-aspartic acid], and complexing agents, gluconate and heptagluconate. Results showed that the removal of the paramagnetic ions was complete, allowing us to obtain (1)H NMR spectra characterized by narrow peaks. The quantification of the ligands by NMR and high-performance liquid chromatography showed that their complete recovery was granted. The NMR analysis enabled detection and quantification of unknown impurities without the need of pure compounds as internal standards.

Atom-transfer radical polymerization of methyl methacrylate (MMA) using CuSCN as the catalyst

NARCIS (Netherlands)

Singha, N.K.; Klumperman, B.

2000-01-01

The effect of CuSCN as a catalyst in atom-transfer radical polymerization (ATRP) was investigated. CuSCN can successfully be used for the ATRP of MMA. Substituted bipyridines as well as imines can be used to stabilize the copper complex in solution. CuSCN induces faster polymerization compared to

Solvothermal Synthesis of Three-Dimensional Hierarchical CuS Microspheres from a Cu-Based Ionic Liquid Precursor for High-Performance Asymmetric Supercapacitors.

Science.gov (United States)

Zhang, Jing; Feng, Huijie; Yang, Jiaqin; Qin, Qing; Fan, Hongmin; Wei, Caiying; Zheng, Wenjun

2015-10-07

It is meaningful to exploit copper sulfide materials with desired structure as well as potential application due to their cheapness and low toxicity. A low-temperature and facile solvothermal method for preparing three-dimensional (3D) hierarchical covellite (CuS) microspheres from an ionic liquid precursor [Bmim]2Cu2Cl6 (Bmim = 1-butyl-3-methylimidazolium) is reported. The formation of CuS nanostructures was achieved by decomposition of intermediate complex Cu(Tu)3Cl (thiourea = Tu), which produced CuS microspheres with diameters of 2.5-4 μm assembled by nanosheets with thicknesses of 10-15 nm. The ionic liquid, as an "all-in-one" medium, played a key role for the fabrication and self-assembly of CuS nanosheets. The alkylimidazolium rings ([Bmim](+)) were found to adsorb onto the (001) facets of CuS crystals, which inhibited the crystal growth along the [001] direction, while the alkyl chain had influence on the assembly of CuS nanosheets. The CuS microspheres showed enhanced electrochemical performance and high stability for the application in supercapacitors due to intriguing structural design and large specific surface area. When this well-defined CuS electrode was assembled into an asymmetric supercapacitor (ASC) with an activated carbon (AC) electrode, the CuS//AC-ASC demonstrated good cycle performance (∼88% capacitance after 4000 cycles) and high energy density (15.06 W h kg(-1) at a power density of 392.9 W kg(-1)). This work provides new insights into the use of copper sulfide electrode materials for asymmetric supercapacitors and other electrochemical devices.

Growth of intermetallics between Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layered structures

International Nuclear Information System (INIS)

Horváth, Barbara; Illés, Balázs; Shinohara, Tadashi

2014-01-01

Intermetallic growth mechanisms and rates are investigated in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. An 8–10 μm thick Sn surface finish layer was electroplated onto a Cu substrate with a 1.5–2 μm thick Ni or Ag barrier layer. In order to induce intermetallic layer growth, the samples were aged in elevated temperatures: 50 °C and 125 °C. Intermetallic layer growth was checked by focused ion beam–scanning ion microscope. The microstructures and chemical compositions of the intermetallic layers were observed with a transmission electron microscope. It has been found that Ni barrier layers can effectively block the development of Cu 6 Sn 5 intermetallics. The intermetallic growth characteristics in the Sn/Cu and Sn/Ni/Cu systems are very similar. The intermetallic layer grows towards the Sn layer and forms a discrete layer. Differences were observed only in the growth gradients and surface roughness of the intermetallic layer which may explain the different tin whiskering properties. It was observed that the intermetallic layer growth mechanisms are completely different in the Ag barrier layers compared to the Ni layers. In the case of Sn/Ag/Cu systems, the Sn and Cu diffused through the Ag layer, formed Cu 6 Sn 5 intermetallics mainly at the Sn/Ag interface and consumed the Ag barrier layer. - Highlights: • Intermetallic growth was characterised in Sn/Ni/Cu, Sn/Ag/Cu and Sn/Cu layer systems. • Intermetallic growth rates and roughness are similar in the Sn/Cu and Sn/Ni/Cu systems. • Sn/Ni/Cu system contains the following intermetallic layer structure Sn–Ni3Sn4–Ni3Sn2–Ni3Sn–Ni. • In the case of Sn/Ag/Cu systems the Sn and Cu diffusion consumes the Ag barrier layer. • When Cu reaches the Sn/Ag interface a large amount of Cu 6 Sn 5 forms above the Ag layer

An efficient CU partition algorithm for HEVC based on improved Sobel operator

Science.gov (United States)

Sun, Xuebin; Chen, Xiaodong; Xu, Yong; Sun, Gang; Yang, Yunsheng

2018-04-01

As the latest video coding standard, High Efficiency Video Coding (HEVC) achieves over 50% bit rate reduction with similar video quality compared with previous standards H.264/AVC. However, the higher compression efficiency is attained at the cost of significantly increasing computational load. In order to reduce the complexity, this paper proposes a fast coding unit (CU) partition technique to speed up the process. To detect the edge features of each CU, a more accurate improved Sobel filtering is developed and performed By analyzing the textural features of CU, an early CU splitting termination is proposed to decide whether a CU should be decomposed into four lower-dimensions CUs or not. Compared with the reference software HM16.7, experimental results indicate the proposed algorithm can lessen the encoding time up to 44.09% on average, with a negligible bit rate increase of 0.24%, and quality losses lower 0.03 dB, respectively. In addition, the proposed algorithm gets a better trade-off between complexity and rate-distortion among the other proposed works.

INIS: Authority list for journal titles

International Nuclear Information System (INIS)

2007-01-01

This is the 33rd revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13 396 journal titles, 2 170 regularly scanned journals and 578 key journals. It was last updated in February 2007. A journal - or periodical - is a continuing publication issued in a succession of discrete parts, usually bearing numbering and/or chronological designations and intended to be continued indefinitely. It is generally published within a defined, fixed interval between issues and normally appears more than once per year. It includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as the Annual Review of Nuclear Science are included, but series titles such as the McGraw-Hill Series in Nuclear Engineering are not. The purpose of this document is to provide descriptive cataloguers with standard elements to include in bibliographic level 'S' of the INIS record. These elements include field (tag) 229 (Full Journal Title), 320 (ISSN) and 321 (CODEN). The full journal title is mandatory, and either the ISSN or the CODEN must be included (both may appear). Instructions on how to use this and other elements of the INIS record format are found in INIS: Guide to Bibliographic Description (IAEA-INIS-1). In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: - In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. - In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. - In Part III, all journals that are regularly scanned by

Synthesis, characterization and biological studies of 2-(4-nitrophenylamino-carbonyl)benzoic acid and its complexes with Cr(III), Co(II), Ni(II), Cu(II) and Zn(II)

International Nuclear Information System (INIS)

Imran, M; Nazir, S.; Latif, S.; Mahmood, Z.

2010-01-01

Cr(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of 2-(4-Nitrophenyl aminocarbonyl)benzoic acid were synthesized and characterized on the basis of physical, analytical and spectroscopic data. The ligands, as well as its metal complexes were checked for their in-vitro antimicrobial activity against three bacterial strains, Mycobacterium smegmatis, Escherichia coli, Pseudomonas aeuroginosa, and three fungal strains, Nigrospora oryzae, Aspergillus niger and Candida albicans. Disc diffusion method and Tube diffusion test were used for antibacterial and antifungal activities, respectively. The synthesized complexes only show significant antifungal activity but inactive for antibacterial, however, in general, the metal complexes were found to be more active against antimicrobial activities as compared to their un complexed ligand. (author)

20 CFR 416.573 - How much will we withhold from your title II and title VIII benefits to recover a title XVI...

Science.gov (United States)

2010-04-01

... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false How much will we withhold from your title II... Payment of Benefits, Overpayments, and Underpayments § 416.573 How much will we withhold from your title...-due benefits. (b)(1) We will collect the overpayment from current monthly benefits due in a month by...

The Nucleus 59Cu. Complex Structure, Shape Evolution, Exotic Decay Modes

International Nuclear Information System (INIS)

Andreoiu, Corina

2002-08-01

High-spin states in the mass A∼60 region were populated using the state-of-art γ-ray spectrometers Gammasphere, Euroball, and GASP in conjunction with dedicated ancillary detectors. In particular, the 59 Cu nucleus was studied in several experiments, and a very extensive level scheme was determined. It comprises more than 320 transitions connecting about 150 excited states. Relative to mass, it is the most extensive level scheme known to date. Next to the spherical states at low excitation energy eight regular sequences of high-energy γ-ray transitions have been observed. They form rotational bands with various degree of deformation, which are interpreted in the light of the shell model and the configuration-dependent Cranked Nilsson-Strutinsky approach. One of the experiments was dedicated to the study of prompt particle decays. It revealed five prompt proton decays connecting five deformed states in three of the rotational bands in 59 Cu with three spherical states in the daughter nucleus 58 Ni. It is the first observation of the fine structure of the newly discovered prompt proton decay mode. The proton decays compete with the γ decay-out from the second minimum of the nuclear potential into the low-spin spherical states in the first minimum of the potential. The discrete γ decay-out mechanism of the yrast superdeformed band is investigated in detail. The nucleus 59 Zn, the mirror partner of 59 Cu, was identified for the first time, and the mirror symmetry of the T=1/2 A=59 pair is discussed

CuO reduction induced formation of CuO/Cu2O hybrid oxides

Science.gov (United States)

Yuan, Lu; Yin, Qiyue; Wang, Yiqian; Zhou, Guangwen

2013-12-01

Reduction of CuO nanowires results in the formation of a unique hierarchical hybrid nanostructure, in which the parent oxide phase (CuO) works as the skeleton while the lower oxide (Cu2O) resulting from the reduction reaction forms as partially embedded nanoparticles that decorate the skeleton of the parent oxide. Using in situ transmission electron microscopy observations of the reduction process of CuO nanowires, we demonstrate that the formation of such a hierarchical hybrid oxide structure is induced by topotactic nucleation and growth of Cu2O islands on the parent CuO nanowires.

Bromidotetra?kis?(1H-2-ethyl-5-methyl?imidazole-?N 3)copper(II) bromide

OpenAIRE

Godlewska, Sylwia; Baranowska, Katarzyna; Socha, Joanna; Do??ga, Anna

2011-01-01

The CuII ion in the title compound, [CuBr(C6H10N2)4]Br, is coordinated in a square-based-pyramidal geometry by the N atoms of four imidazole ligands and a bromide anion in the apical site. Both the CuII and Br− atoms lie on a crystallographic fourfold axis. In the crystal, the [CuBr(C6H10N2)4]+ complex cations are linked to the uncoordinated Br− anions (site symmetry overline{4}) by N—H...Br hydrogen bonds, generating a three-dimensional network. The ethyl group ...

Morphology and chemical composition of Cu/Sn/Cu and Cu(5 at-%Ni)/Sn/Cu(5 at-%Ni) interconnections

NARCIS (Netherlands)

Wierzbicka-Miernik, A.; Wojewoda-Budka, J.; Litynska-Dobrzynska, L.; Kodentsov, A.; Zieba, P.

2012-01-01

In the present paper, scanning and transmission electron microscopies as well as energy dispersive X-ray spectroscopy investigations were performed to describe the morphology and chemical composition of the intermetallic phases growing in Cu/Sn/Cu and Cu(Ni)/Sn/Cu(Ni) interconnections during the

Ni(II) and Cu(II) binding with a 14-aminoacid sequence of Cap43 protein, TRSRSHTSEGTRSR.

Science.gov (United States)

Zoroddu, M A; Kowalik-Jankowska, T; Kozlowski, H; Salnikow, K; Costa, M

2001-03-01

The tetradecapeptide containing the 10 aminoacid repeated sequence on the C-terminus of the Ni(II)-induced Cap43 protein, was analyzed for Ni(II) and Cu(II) binding. A combined pH-metric and spectroscopic UV-VIS, EPR, CD and NMR study of Ni(II) and Cu(II) binding to the blocked CH3CO-Thr-Arg-Ser-Arg-Ser-His-Thr-Ser-Glu-Gly-Thr-Arg-Ser-Arg-NH2 (Ac-TRSRSHTSEGTRSR-Am) peptide, modeling a part of the C-terminal sequence of the Cap43 protein, revealed the formation of octahedral complexes involving imidazole nitrogen of histidine, at pH 5.5 and pH 7 for Cu(II) and Ni(II), respectively; a major square planar 4N-Ni(II) complex (about 100% at pH 9, log K* = -28.16) involving imidazole nitrogen of histidine and three deprotonated amide nitrogens of the backbone of the peptide was revealed; a 3N-Cu(II) complex (maximum about 70% at pH 7, log K*=-13.91) and a series of 4N-Cu(II) complexes starting at pH 5.5 (maximum about 90% at pH 8.7, log K* = -21.39 for CuH(-3)L), were revealed. This work supports the existence of a metal binding site at the COOH-terminal part of the Cap43 peptide.

Polymethacrylic acid as a new precursor of CuO nanoparticles

Science.gov (United States)

Hosny, Nasser Mohammed; Zoromba, Mohamed Shafick

2012-11-01

Polymethacrylic acid and its copper complexes have been synthesized and characterized. These complexes have been used as precursors to produce CuO nanoparticles by thermal decomposition in air. The stages of decompositions and the calcination temperature of the precursors have been determined from thermal analyses (TGA). The obtained CuO nanoparticles have been characterized by X-ray diffraction (XRD), scanning tunneling microscopy (STM) and transmission electron microscopy (TEM). XRD showed a monoclinic structure with particle size 8-20 nm for the synthesized copper oxide nanoparticles. These nanoparticles are catalytically active in decomposing hydrogen peroxide and a mechanism of decomposition has been suggested.

Complexity Thinking in PE: Game-Centred Approaches, Games as Complex Adaptive Systems, and Ecological Values

Science.gov (United States)

Storey, Brian; Butler, Joy

2013-01-01

Background: This article draws on the literature relating to game-centred approaches (GCAs), such as Teaching Games for Understanding, and dynamical systems views of motor learning to demonstrate a convergence of ideas around games as complex adaptive learning systems. This convergence is organized under the title "complexity thinking"…

Replace with abstract title

Science.gov (United States)

Coho, Aleksander; Kioussis, Nicholas

2003-03-01

We use the semidiscrete variational generelized Peierls-Nabarro model to study the effect of Cu alloying on the dislocation properties of Al. First-principles density functional theory (DFT) is used to calculate the generalized-stacking-fault (GSF) energy surface when a plane, on which one in four Al atoms has been replaced with a Cu atom, slips over a pure Al plane. Various dislocation core properties (core width, energy, Peierls stress, dissociation tendency) are investigated and compared with the pure Al case. Cu alloying lowers the intrinsic stacking fault (ISF) energy, which makes dislocations more likely to dissociate into partials. We also try to understand the lowering of ISF energy in terms of Al-Cu and Al-Al bond formation and braking during shearing along the direction. From the above we draw conclusions about the effects of Cu alloying on the mechanical properties of Al.

Lecithin Complex

African Journals Online (AJOL)

1Department of Food Science and Engineering, Xinyang College of Agriculture and ... Results: The UV and IR spectra of the complex showed an additive effect of polydatin-lecithin, in which .... Monochromatic Cu Ka radiation (wavelength =.

INIS: Authority list for journal titles

International Nuclear Information System (INIS)

2008-01-01

This is the 34th revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13 538 journal titles, 2 106 regularly scanned journals and 613 key journals. It was last updated in February 2008. A journal - or periodical - is a continuing publication issued in a succession of discrete parts, usually bearing numbering and/or chronological designations and intended to be continued indefinitely. It is generally published within a defined, fixed interval between issues and normally appears more than once per year. It includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as the Annual Review of Nuclear Science are included, but series titles such as the McGraw-Hill Series in Nuclear Engineering are not. The purpose of this document is to provide descriptive cataloguers with standard elements to include in bibliographic level 'S' of the INIS record. These elements include field (tag) 229 (Full Journal Title), 320 (ISSN) and 321 (CODEN). The full journal title is mandatory, and either the ISSN or the CODEN must be included (both may appear). Instructions on how to use this and other elements of the INIS record format are found in INIS: Guide to Bibliographic Description (IAEA-INIS-1). In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: - In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. - In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. - In Part III, all journals that are regularly scanned by

Holistic education and complexity thinking

NARCIS (Netherlands)

Jörg, T.

2007-01-01

Paper proposal for the SIG Holistic Education at AERA 2007 Title: Holistic Education and Complexity Thinking Ton Jörg IVLOS Institute of Education University of Utrecht The Netherlands A.G.D.Jorg@ivlos.uu.nl ABSTRACT In this paper I link complexity thinking with Holistic Education (HE). It is a

IR and TPD studies of the interaction of alkenes with Cu + sites in CuNaY and CuNaX zeolites of various Cu content. The heterogeneity of Cu + sites

Science.gov (United States)

Datka, J.; Kukulska-Zajaç, E.; Kozyra, P.

2006-08-01

Cu + ions in zeolites activate organic molecules containing π electrons by π back donation, which results in a distinct weakening of multiple bonds. In this study, we followed the activation of alkenes (ethene and propene) by Cu + ions in CuY and CuX zeolites of various Cu content. We also studied the strength of bonding of alkenes to Cu + ions. IR studies have shown that there are two kinds of Cu + sites of various electron donor properties. We suppose that they could be attributed to the presence of Cu + ions of various number of oxygen atoms surrounding the cation. IR studies have shown that Cu ions introduced into Y and X zeolites in the first-order (at low Cu content) form Cu + ions of stronger electron donor properties (i.e. activate alkenes to larger extend) than Cu ions introduced in the next order (at higher Cu content). IR and TPD studies of alkenes desorption evidenced that Cu + ions of stronger electron donor properties bond alkenes stronger than less electron donor ones. It suggests that π back donation has more important contribution to the strength of bonding alkenes to cation than π donation.

Near-Infrared Emitting CuInSe2/CuInS2 Dot Core/Rod Shell Heteronanorods by Sequential Cation Exchange

Science.gov (United States)

2015-01-01

The direct synthesis of heteronanocrystals (HNCs) combining different ternary semiconductors is challenging and has not yet been successful. Here, we report a sequential topotactic cation exchange (CE) pathway that yields CuInSe2/CuInS2 dot core/rod shell nanorods with near-infrared luminescence. In our approach, the Cu+ extraction rate is coupled to the In3+ incorporation rate by the use of a stoichiometric trioctylphosphine-InCl3 complex, which fulfills the roles of both In-source and Cu-extracting agent. In this way, Cu+ ions can be extracted by trioctylphosphine ligands only when the In–P bond is broken. This results in readily available In3+ ions at the same surface site from which the Cu+ is extracted, making the process a direct place exchange reaction and shifting the overall energy balance in favor of the CE. Consequently, controlled cation exchange can occur even in large and anisotropic heterostructured nanocrystals with preservation of the size, shape, and heterostructuring of the template NCs into the product NCs. The cation exchange is self-limited, stopping when the ternary core/shell CuInSe2/CuInS2 composition is reached. The method is very versatile, successfully yielding a variety of luminescent CuInX2 (X = S, Se, and Te) quantum dots, nanorods, and HNCs, by using Cd-chalcogenide NCs and HNCs as templates. The approach reported here thus opens up routes toward materials with unprecedented properties, which would otherwise remain inaccessible. PMID:26449673

Porous HKUST-1 derived CuO/Cu2O shell wrapped Cu(OH)2 derived CuO/Cu2O core nanowire arrays for electrochemical nonenzymatic glucose sensors with ultrahigh sensitivity

Science.gov (United States)

Yu, Cuiping; Cui, Jiewu; Wang, Yan; Zheng, Hongmei; Zhang, Jianfang; Shu, Xia; Liu, Jiaqin; Zhang, Yong; Wu, Yucheng

2018-05-01

Self-supported CuO/Cu2O@CuO/Cu2O core-shell nanowire arrays (NWAs) are successfully fabricated by a simple and efficient method in this paper. Anodized Cu(OH)2 NWAs could in-situ convert to HKUST-1 at room temperature easily. Cu(OH)2 NWAs cores and HKUST-1 shells transform into CuO/Cu2O simultaneously after calcinations and form CuO/Cu2O@CuO/Cu2O core-shell NWAs. This smart configuration of the core-shell structure not only avoids the agglomeration of the traditional MOF-derived materials in particle-shape, but also facilitates the ion diffusion and increases the active sites. This novel structure is employed as substrate to construct nonenzymatic glucose sensors. The results indicate that glucose sensor based on CuO/Cu2O@CuO/Cu2O core-shell NWAs presents ultrahigh sensitivity (10,090 μA mM-1 cm-2), low detection limit (0.48 μM) and wide linear range (0.99-1,330 μM). In addition, it also shows excellent anti-interference ability toward uric acid, ascorbic acid and L-Cysteine co-existing with glucose, good reproducibility and superior ability of real sample analysis.

An Interaction of Rhamnolipids with Cu2+ Ions

Directory of Open Access Journals (Sweden)

Jolanta Cieśla

2018-02-01

Full Text Available This study was focused on the description of interaction between Cu2+ ions and the 1:1 mono- and dirhamnolipid mixtures in the premicellar and aggregated state in water and 20 mM KCl solution at pH 5.5 and 6.0. The critical micelle concentration of biosurfactants was determined conductometrically and by the pH measurements. Hydrodynamic diameter and electrophoretic mobility were determined in micellar solutions using dynamic light scattering and laser Doppler electrophoresis, respectively. The copper immobilization by rhamnolipids, methylglycinediacetic acid (MGDA, and ethylenediaminetetraacetic acid (EDTA was estimated potentiometrically for the Cu2+ to chelating agent molar ratio from 16:100 to 200:100. The degree of ion binding and the complex stability constant were calculated at a 1:1 metal to chelant molar ratio. The aggregates of rhamnolipids (diameter of 43–89 nm were negatively charged. Biosurfactants revealed the best chelating activities in premicellar solutions. For all chelants studied the degree of metal binding decreased with the increasing concentration of the systems. The presence of K+ lowered Cu2+ binding by rhamnolipids, but did not modify the complex stability significantly. Immobilization of Cu2+ by biosurfactants did not cause such an increase of acidification as that observed in MGDA and EDTA solutions. Rhamnolipids, even in the aggregated form, can be an alternative for the classic chelating agents.

Land Titles and Rice Production in Vietnam

DEFF Research Database (Denmark)

Van Den Broeck, Katleen; Newman, Carol; Tarp, Finn

In most of the empirical literature on land titling, the household is regarded as unitary, and land rights are found to have ambiguous effects on land allocation, investment and productivity. Using data from 12 provinces in Vietnam, we diversify land titles, and show in a household fixed effects...... analysis of plot level rice yields that land titles are indeed important. Only exclusively held titles have the expected positive effects, and the positive effect on yields is found in male headed households. Furthermore, a household level rice yield function reveals that exclusive user rights...... are inefficiency decreasing, while jointly held user rights have no efficiency effects. Finally, once the gender of the head of household is controlled for, exclusively held female titles have a greater positive effect on the efficiency of the household than that of male held titles...

Crystal structure of bis{S-hexyl 3-[4-(dimethylaminobenzylidene]dithiocarbazato-κ2N3,S}copper(II

Directory of Open Access Journals (Sweden)

E. Zangrando

2015-06-01

Full Text Available In the title complex, [Cu(C16H24N3S22], the CuII atom is coordinated by two azomethine N and two thiolate S atoms of the chelating Schiff base ligands, resulting in a distorted square-planar coordination environment. The S—Cu—N chelating angle is of 84.41 (5°. The CuII atom is located on a crystallographic inversion centre, leading to a trans configuration of the N,S-chelating ligands.

Comparative study of Cu-Zr and Cu-Ru alloy films for barrier-free Cu metallization

International Nuclear Information System (INIS)

Wang Ying; Cao Fei; Zhang Milin; Liu Yuntao

2011-01-01

The properties of Cu-Zr and Cu-Ru alloy films were comparatively studied to evaluate their potential use as alloying elements. Cu alloy films were deposited on SiO 2 /Si substrates by magnetron sputtering. Samples were subsequently annealed and analyzed by four-point probe measurement, X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy and Auger electron spectroscopy. X-ray diffraction data suggest that Cu film has preferential (111) crystal orientation and no extra peak corresponding to any compound of Cu, Zr, Ru, and Si. According to transmission electron microscopy results, Cu grains grow in size for both systems but the grain sizes of the Cu alloy films are smaller than that of pure Cu films. These results indicate that Cu-Zr film is suitable for advanced barrier-free metallization in terms of interfacial stability and lower resistivity.

An azine based sensor for selective detection of Cu2 + ions and its copper complex for sensing of phosphate ions in physiological conditions and in living cells

Science.gov (United States)

Tiwari, Karishma; Kumar, Sumit; Kumar, Vipan; Kaur, Jeevanjot; Arora, Saroj; Mahajan, Rakesh Kumar

2018-02-01

A simple and cost effective unsymmetrical azine based Schiff base, 5-diethylamino-2-[(2-hydroxy-benzylidene)hydrazonomethyl]-phenol (1) was synthesized which selectively detect Cu2 + ions in the presence of other competitive ions through ;naked eye; in physiological conditions (EtOH-buffer (1:1, v/v, HEPES 10 mM, pH = 7.4)). The presence of Cu2 + induce color change from light yellow green to yellow with the appearance of a new band at 450 nm in UV-Vis spectra of Schiff base 1. The fluorescence of Schiff base 1 (10 μM) was quenched completely in the presence of 2.7 equiv. of Cu2 + ions. Sub-micromolar limit of detection (LOD = 3.4 × 10- 7 M), efficient Stern-Volmer quenching constant (KSV = 1.8 × 105 L mol- 1) and strong binding constant (log Kb = 5.92) has been determined with the help of fluorescence titration profile. Further, 1 - Cu2 + complex was employed for the detection of phosphate ions (PO43 -, HPO42 - and H2PO4-) at micromolar concentrations in EtOH-buffer of pH 7.4 based on fluorescence recovery due to the binding of Cu2 + with phosphate ions. Solubility at low concentration in aqueous medium, longer excitation (406 nm) and emission wavelength (537 nm), and biocompatibility of Schiff base 1 formulates its use in live cell imaging.

Cu/Cu{sub 2}O/CuO nanoparticles: Novel synthesis by exploding wire technique and extensive characterization

Energy Technology Data Exchange (ETDEWEB)

Sahai, Anshuman [Department of Physics and Materials Science and Engineering, Jaypee Institute of Information Technology, A-10, Sector-62, Noida 201307 (India); Goswami, Navendu, E-mail: navendugoswami@gmail.com [Department of Physics and Materials Science and Engineering, Jaypee Institute of Information Technology, A-10, Sector-62, Noida 201307 (India); Kaushik, S.D. [UGC-DAE-Consortium for Scientific Research Mumbai Centre, R5 Shed, BARC, Mumbai 400085 (India); Tripathi, Shilpa [UGC-DAE Consortium for Scientific Research, Indore, M.P. (India)

2016-12-30

Highlights: The salient features of this research article are following: • Mixed phase synthesis of Cu/Cu{sub 2}O/CuO nanoparticles prepared by Exploding Wire Technique (EWT). • Predominant Cu/Cu{sub 2}O phases along with minor CuO phase revealed through XRD, TEM, Raman, FTIR, UV–Visible and PL analyses. • XPS analysis provided direct evidences of Cu{sup 2+} and Cu{sup +} along with O deficiency for prepared nanoparticles. • Room temperature weak ferromagnetic behaviour was demonstrated for Cu/Cu{sub 2}O/CuO nanoparticles. - Abstract: In this article, we explore potential of Exploding Wire Technique (EWT) to synthesize the copper nanoparticles using the copper metal in a plate and wire geometry. Rietveld refinement of X-ray diffraction (XRD) pattern of prepared material indicates presence of mixed phases of copper (Cu) and copper oxide (Cu{sub 2}O). Agglomerates of copper and copper oxide comprised of ∼20 nm average size nanoparticles observed through high resolution transmission electron microscope (HRTEM) and energy dispersive x-ray (EDX) spectroscopy. Micro-Raman (μR) and Fourier transform infrared (FTIR) spectroscopies of prepared nanoparticles reveal existence of additional minority CuO phase, not determined earlier through XRD and TEM analysis. μR investigations vividly reveal cubic Cu{sub 2}O and monoclinic CuO phases based on the difference of space group symmetries. In good agreement with μRaman analysis, FTIR stretching modes corresponding to Cu{sub 2}-O and Cu-O were also distinguished. Investigations of μR and FTIR vibrational modes are in accordance and affirm concurrence of CuO phases besides predominant Cu and Cu{sub 2}O phase. Quantum confinement effects along with increase of band gaps for direct and indirect optical transitions of Cu/Cu{sub 2}O/CuO nanoparticles are reflected through UV–vis (UV–vis) spectroscopy. Photoluminescence (PL) spectroscopy spots the electronic levels of each phase and optical transitions processes

CH{sub 4} dehydrogenation on Cu(1 1 1), Cu@Cu(1 1 1), Rh@Cu(1 1 1) and RhCu(1 1 1) surfaces: A comparison studies of catalytic activity

Energy Technology Data Exchange (ETDEWEB)

Zhang, Riguang; Duan, Tian [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Ling, Lixia [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Research Institute of Special Chemicals, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China); Wang, Baojun, E-mail: wangbaojun@tyut.edu.cn [Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province, Taiyuan University of Technology, Taiyuan 030024, Shanxi (China)

2015-06-30

Highlights: • Adsorbed Rh atom on Cu catalyst exhibits better catalytic activity for CH{sub 4} dehydrogenation. • The adsorbed Rh atom is the reaction active center for CH{sub 4} dehydrogenation. • The morphology of Cu substrate has negligible effect on CH{sub 4} dehydrogenation. - Abstract: In the CVD growth of graphene, the reaction barriers of the dehydrogenation for hydrocarbon molecules directly decide the graphene CVD growth temperature. In this study, density functional theory method has been employed to comparatively probe into CH{sub 4} dehydrogenation on four types of Cu(1 1 1) surface, including the flat Cu(1 1 1) surface (labeled as Cu(1 1 1)) and the Cu(1 1 1) surface with one surface Cu atom substituted by one Rh atom (labeled as RhCu(1 1 1)), as well as the Cu(1 1 1) surface with one Cu or Rh adatom (labeled as Cu@Cu(1 1 1) and Rh@Cu(1 1 1), respectively). Our results show that the highest barrier of the whole CH{sub 4} dehydrogenation process is remarkably reduced from 448.7 and 418.4 kJ mol{sup −1} on the flat Cu(1 1 1) and Cu@Cu(1 1 1) surfaces to 258.9 kJ mol{sup −1} on RhCu(1 1 1) surface, and to 180.0 kJ mol{sup −1} on Rh@Cu(1 1 1) surface, indicating that the adsorbed or substituted Rh atom on Cu catalyst can exhibit better catalytic activity for CH{sub 4} complete dehydrogenation; meanwhile, since the differences for the highest barrier between Cu@Cu(1 1 1) and Cu(1 1 1) surfaces are smaller, the catalytic behaviors of Cu@Cu(1 1 1) surface are very close to the flat Cu(1 1 1) surface, suggesting that the morphology of Cu substrate does not obviously affect the dehydrogenation of CH{sub 4}, which accords with the reported experimental observations. As a result, the adsorbed or substituted Rh atom on Cu catalyst exhibit a better catalytic activity for CH{sub 4} dehydrogenation compared to the pure Cu catalyst, especially on Rh-adsorbed Cu catalyst, we can conclude that the potential of synthesizing high-quality graphene with the

Removal of Cu from aqueous solutions by synthetic hydroxyapatite: EXAFS investigation

International Nuclear Information System (INIS)

Corami, Alessia; D'Acapito, Francesco; Mignardi, Silvano; Ferrini, Vincenzo

2008-01-01

The sorption of aqueous Cu on synthetic hydroxyapatite has been investigated by means of the results of a combined structural simulation and extended X-ray absorption fine structure (EXAFS) analysis. The removal of Cu was studied in batch experiments at 25 ± 2 deg. C. The sorption of Cu follows Langmuir behaviour and was attributed to a two-step mechanism involving surface complexation and ion exchange with Ca resulting in the formation of a copper-containing hydroxyapatite. EXAFS results suggest that the heavy metal is present in the Cu 2+ form. The structural experimental and theoretical analysis shows that Cu is bond to about four O atoms at a distance of about 1.95 A. In all the studied cases the immobilization site of Cu is the same. The fixation of Cu occurs in the surface sites of hydroxyapatite whereas the sorption in the Ca sites in the inner part of the structure is unlikely

Enhanced reactive oxygen species through direct copper sulfide nanoparticle-doxorubicin complexation

Science.gov (United States)

Li, Yajuan; Cupo, Michela; Guo, Liangran; Scott, Julie; Chen, Yi-Tzai; Yan, Bingfang; Lu, Wei

2017-12-01

CuS-based nanostructures loading the chemotherapeutic agent doxorubicin (DOX) exerted excellent cancer photothermal chemotherapy under multi-external stimuli. The DOX loading was generally designed through electrostatic interaction or chemical linkers. However, the interaction between DOX molecules and CuS nanoparticles has not been investigated. In this work, we use PEGylated hollow copper sulfide nanoparticles (HCuSNPs) to directly load DOX through the DOX/Cu2+ chelation process. Distinctively, the synthesized PEG-HCuSNPs-DOX release the DOX/Cu2+ complexes into surrounding environment, which generate significant reactive oxygen species (ROS) in a controlled manner by near-infrared laser. The CuS nanoparticle-mediated photothermal ablation facilitates the ROS-induced cancer cell killing effect. Our current work reveals a DOX/Cu2+-mediated ROS-enhanced cell-killing effect in addition to conventional photothermal chemotherapy through the direct CuS nanoparticle-DOX complexation.

Quarterly title list for the period ending June 1980

International Nuclear Information System (INIS)

1980-01-01

The title list contains: a) 17 titles and abstracts of laboratory reports, b) 36 titles of publications (32 with abstracts), c) 13 titles of articles submitted for publication (12 with abstracts), and d) 72 titles of lectures (52 with abstracts.) (GG) [de

Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties

Science.gov (United States)

Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng

2018-03-01

Three new chiral metal coordination complexes, namely, [Cu(FZ)2(CH3COO)2(H2O)]·2H2O (1), [Cu(FZ)2(NO3)2] (2), and [Cu2(FZ)2 (H2O)8](SO4)2·4H2O (3) [FZ = (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidiny)-1-(1H-1,2,4-triazol-1-yl)-2-butanol) (Voriconazole)] have been obtained by the reaction of Cu(II) salts and the free ligand FZ at room temperature. Complexes 1-3 were structurally characterized by X-ray single-crystal diffraction, IR, UV-vis, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). Complex 1 crystallizes in the chiral space group C2, which exhibits a mono-nuclear structure. Both complexes 2 and 3 display a one-dimensional (1D) tape structure, which crystallize in chiral space group P21212 and P212121, respectively. Among these complexes, there exist a variety of hydrogen bonds and stacking interactions, through which a three-dimensional supramolecular architecture will be generated. Compared with the standard (Voriconazole), these Cu-based complexes show the more potent inhibiting efficiency against the species of Candida and Aspergillus. Moreover, among these complexes, complex 1 shows the most excellent efficiency.

Title of the paper goes here second line

Indian Academy of Sciences (India)

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Theoretical insight into electronic structure and optoelectronic properties of heteroleptic Cu(I)-based complexes for dye-sensitized solar cells

Energy Technology Data Exchange (ETDEWEB)

Wei, Shuxian; Li, Ke; Lu, Xiaoqing, E-mail: luxq@upc.edu.cn; Zhao, Zigang; Shao, Yang; Dang, Yong; Li, Shaoren; Guo, Wenyue, E-mail: wyguo@upc.edu.cn

2016-04-15

A series of heteroleptic Cu(I)-based dyes were investigated by density functional theory (DFT) and time-dependent DFT (TD-DFT). Results showed that Cu(I)-based dyes were inclined to form distorted pseudo-trigonal pyramidal configurations with four-coordinated geometry index τ{sub 4} ranging from 0.905 to 0.914. The absorption spectra of Cu(I)-based dyes covered ∼300.0–600.0 nm region, and the lowest excitation states were crucial for efficient electron excitation and separation. Suitable energy levels of Cu(I)-based dyes rendered them thermodynamically favorable for efficient electron injection into semiconductor and regeneration from electrolyte. Relative to π-conjugation, heteroaromatic groups introduced into ancillary ligands could significantly improve the property of Cu(I)-based dyes by decreasing HOMO-LUMO gaps, red-shifting spectral range, strengthening absorption intensity, boosting light-harvesting efficiency, and promoting interfacial electron injection. Specifically, Cu(I)-based dye with dithiole-functionalized group exhibited outstanding optoelectronic property. - Highlights: • Assessment of heteroleptic Cu(I) dyes for dye-sensitized solar cells. • Suitable energy levels render Cu(I) dyes ideal candidates for electron injection. • Heteroaromatic groups efficiently improve Cu(I) dyes light-harvesting properties. • Dye with dithiole group exhibits ideal photoelectronic property.

Fac–mer equilibria of coordinated iminodiacetate (ida ) in ternary Cu ...

Indian Academy of Sciences (India)

Unknown

Keywords. Fac–mer equilibria; CuII-iminodiacetate-imidazole/benzimidazole ternary complexes; stability constants. 1. Introduction. Mixed ligand complexes of transition metal ions with amino acids, peptides or their derivatives or analogues, and heterocyclic N-bases can serve as model compounds of bioinorganic interests ...

Investigation of formation constant of complex of a new synthesized ...

African Journals Online (AJOL)

The complex formation between a newly synthesized tripodal ligand and the cation Cu2+ in water and surfactant media was studied spectrophotometrically using rank annihilation factor analysis (RAFA). According to molar ratio data the stoichiometry of complexation between the ligand and the cation Cu2+ was 1:1.

Crystal structure of bis[μ-S-hexyl 3-(2-oxidobenzylidenedithiocarbazato-κ4O,N3,S:O]dicopper(II

Directory of Open Access Journals (Sweden)

M. S. Begum

2015-12-01

Full Text Available The title compound, [Cu2(C14H18N2OS22], is a binuclear copper(II complex of an oxybenzylidenedithiocarbazate ligand. The ligand coordinates in a tridentate manner through N-, S- and O-donor atoms. Each O atom also bridges to a second CuII ion to form the binuclear species. It has a central Cu2O2 rhomboid moiety and a metal-to-metal separation of 2.9923 (6 Å. In the crystal, the binuclear complexes stack along the a axis with all the hexyl chains located side-by-side, forming a hydrophobic region. The complexes are linked via C—H...N hydrogen bonds, forming chains along the c-axis direction. One CuII atom has the S atom of a symmetry-related complex located approximately in the apical position at 2.9740 (11 Å. This weak interaction links the chains to form slabs parallel to the ac plane.

Cu/Cu2O/CuO nanoparticles: Novel synthesis by exploding wire technique and extensive characterization

Science.gov (United States)

Sahai, Anshuman; Goswami, Navendu; Kaushik, S. D.; Tripathi, Shilpa

2016-12-01

In this article, we explore potential of Exploding Wire Technique (EWT) to synthesize the copper nanoparticles using the copper metal in a plate and wire geometry. Rietveld refinement of X-ray diffraction (XRD) pattern of prepared material indicates presence of mixed phases of copper (Cu) and copper oxide (Cu2O). Agglomerates of copper and copper oxide comprised of ∼20 nm average size nanoparticles observed through high resolution transmission electron microscope (HRTEM) and energy dispersive x-ray (EDX) spectroscopy. Micro-Raman (μR) and Fourier transform infrared (FTIR) spectroscopies of prepared nanoparticles reveal existence of additional minority CuO phase, not determined earlier through XRD and TEM analysis. μR investigations vividly reveal cubic Cu2O and monoclinic CuO phases based on the difference of space group symmetries. In good agreement with μRaman analysis, FTIR stretching modes corresponding to Cu2-O and Cu-O were also distinguished. Investigations of μR and FTIR vibrational modes are in accordance and affirm concurrence of CuO phases besides predominant Cu and Cu2O phase. Quantum confinement effects along with increase of band gaps for direct and indirect optical transitions of Cu/Cu2O/CuO nanoparticles are reflected through UV-vis (UV-vis) spectroscopy. Photoluminescence (PL) spectroscopy spots the electronic levels of each phase and optical transitions processes occurring therein. Iterative X-ray photoelectron spectroscopy (XPS) fitting of core level spectra of Cu (2p3/2) and O (1s), divulges presence of Cu2+ and Cu+ in the lattice with an interesting evidence of O deficiency in the lattice structure and surface adsorption. Magnetic analysis illustrates that the prepared nanomaterial demonstrates ferromagnetic behaviour at room temperature.

INIS: Authority list for journal titles

International Nuclear Information System (INIS)

2009-01-01

This is the 35th revision of the INIS: Authority List for Journal Titles (IAEA-INIS-11). This list is published annually and includes the titles of all journals which have contained articles submitted to INIS at the time of publication. The current list contains 13 750 journal titles, 1 965 regularly scanned journals and 593 key journals. It was last updated in March 2009. A journal - or periodical - is a continuing publication issued in a succession of discrete parts, usually bearing numbering and/or chronological designations and intended to be continued indefinitely. It is generally published within a defined, fixed interval between issues and normally appears more than once per year. It includes a mixture of articles, letters, summaries, etc. Within this definition, annuals such as the Annual Review of Nuclear Science are included, but series titles such as the McGraw-Hill Series in Nuclear Engineering are not. The purpose of this document is to provide descriptive cataloguers with standard elements to include in bibliographic level 'S' of the INIS record. These elements include field (tag) 229 (Full Journal Title), 320 (ISSN) and 321 (CODEN). The full journal title is mandatory, and either the ISSN or the CODEN must be included (both may appear). Instructions on how to use this and other elements of the INIS record format are found in INIS: Guide to Bibliographic Description (IAEA-INIS-1). In order to help the user find titles easily, the list is arranged in six parts, followed by summary statistics: - In Part I, all key journals are grouped under the name of the country or international organization responsible for their input in INIS, then sorted alphabetically under their title. - In Part II, all key journals are sorted alphabetically under their title. The name of the country or international organization responsible for their input in INIS is entered in parentheses within the body of the entry. - In Part III, all journals that are regularly scanned by the

Titles in highly ranked multidisciplinary psychology journals 1966-2011: more words and punctuation marks allow for the communication of more information.

Science.gov (United States)

Whissell, Cynthia

2013-12-01

Titles of articles in seven highly ranked multidisciplinary psychology journals for every fifth year between 1966 and 2011 (inclusive) were studied in terms of title length, word length, punctuation density, and word pleasantness, activation, and concreteness (assessed by the Dictionary of Affect in Language). Titles grew longer (by three words) and were more frequently punctuated (by one colon or comma for every other article) between 1966 and 2011. This may reflect the increasing complexity of psychology and satisfy readers' requirements for more specific information. There were significant differences among journals (e.g., titles in the Annual Review of Psychology were scored by the Dictionary of Affect as the most pleasant, and those in Psychological Bulletin as the least pleasant) and among categories of journals (e.g., titles in review journals employed longer words than those in research or association journals). Differences were stable across time and were employed to successfully categorize titles from a validation sample.

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)

24 CFR 203.385 - Types of satisfactory title evidence.

Science.gov (United States)

2010-04-01

... 24 Housing and Urban Development 2 2010-04-01 2010-04-01 false Types of satisfactory title... Title Waivers § 203.385 Types of satisfactory title evidence. The following types of title evidence shall be satisfactory to the Commissioner: (a) Fee or owner's title policy. A fee or owner's policy of...

Synthesis, crystal structure and charge-distribution validation of β-Na4Cu(MoO43 adopting the alluadite structure-type

Directory of Open Access Journals (Sweden)

Wassim Dridi

2016-08-01

Full Text Available Single crystals of a new variety of tetrasodium copper(II tris[molybdate(VI], Na4Cu(MoO43, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na2Mo3O14 parallel to the (100 plane, which are linked by MoO4 tetrahedra, forming a three-dimensional framework containing two types of hexagonal channels in which Na+ cations reside. The Cu2+ and Na2+ cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2 and another Na (site symmetry -1 atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO44 and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS and charge-distribution CHARDI methods. β-Na4Cu(MoO43 is compared and discussed with the K4Cu(MoO43 and α-Na4Cu(MoO43 structures.

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

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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.

Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.

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Niu, Shuqiang; Huang, Dao-Ling; Dau, Phuong D; Liu, Hong-Tao; Wang, Lai-Sheng; Ichiye, Toshiko

2014-03-11

Broken-symmetry density functional theory (BS-DFT) calculations are assessed for redox energetics [Cu(SCH 3 ) 2 ] 1-/0 , [Cu(NCS) 2 ] 1-/0 , [FeCl 4 ] 1-/0 , and [Fe(SCH 3 ) 4 ] 1-/0 against vertical detachment energies (VDE) from valence photoelectron spectroscopy (PES), as a prelude to studies of metalloprotein analogs. The M06 and B3LYP hybrid functionals give VDE that agree with the PES VDE for the Fe complexes, but both underestimate it by ∼400 meV for the Cu complexes; other hybrid functionals give VDEs that are an increasing function of the amount of Hartree-Fock (HF) exchange and so cannot show good agreement for both Cu and Fe complexes. Range-separated (RS) functionals appear to give a better distribution of HF exchange since the negative HOMO energy is approximately equal to the VDEs but also give VDEs dependent on the amount of HF exchange, sometimes leading to ground states with incorrect electron configurations; the LRC- ω PBEh functional reduced to 10% HF exchange at short-range give somewhat better values for both, although still ∼150 meV too low for the Cu complexes and ∼50 meV too high for the Fe complexes. Overall, the results indicate that while HF exchange compensates for self-interaction error in DFT calculations of both Cu and Fe complexes, too much may lead to more sensitivity to nondynamical correlation in the spin-polarized Fe complexes.

Interaction between Diethyldithiocarbamate and Cu(II) on Gold in Non-Cyanide Wastewater.

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Ly, Nguyễn Hoàng; Nguyen, Thanh Danh; Zoh, Kyung-Duk; Joo, Sang-Woo

2017-11-15

A surface-enhanced Raman scattering (SERS) detection method for environmental copper ions (Cu 2+ ) was developed according to the vibrational spectral change of diethyldithiocarbamate (DDTC) on gold nanoparticles (AuNPs). The ultraviolet-visible (UV-Vis) absorption spectra indicated that DDTC formed a complex with Cu 2+ , showing a prominent peak at ~450 nm. We found Raman spectral changes in DDTC from ~1490 cm -1 to ~1504 cm -1 on AuNPs at a high concentration of Cu 2+ above 1 μM. The other ions of Zn 2+ , Pb 2+ , Ni 2+ , NH₄⁺, Mn 2+ , Mg 2+ , K⁺, Hg 2+ , Fe 2+ , Fe 3+ , Cr 3+ , Co 2+ , Cd 2+ , and Ca 2+ did not produce such spectral changes, even after they reacted with DDTC. The electroplating industrial wastewater samples were tested under the interference of highly concentrated ions of Fe 3+ , Ni 2+ , and Zn 2+ . The Raman spectroscopy-based quantification of Cu 2+ ions was able to be achieved for the wastewater after treatment with alkaline chlorination, whereas the cyanide-containing water did not show any spectral changes, due to the complexation of the cyanide with the Cu 2+ ions. A micromolar range detection limit of Cu 2+ ions could be achieved by analyzing the Raman spectra of DDTC in the cyanide-removed water.

Interaction between Diethyldithiocarbamate and Cu(II on Gold in Non-Cyanide Wastewater

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Nguyễn Hoàng Ly

2017-11-01

Full Text Available A surface-enhanced Raman scattering (SERS detection method for environmental copper ions (Cu2+ was developed according to the vibrational spectral change of diethyldithiocarbamate (DDTC on gold nanoparticles (AuNPs. The ultraviolet-visible (UV-Vis absorption spectra indicated that DDTC formed a complex with Cu2+, showing a prominent peak at ~450 nm. We found Raman spectral changes in DDTC from ~1490 cm−1 to ~1504 cm−1 on AuNPs at a high concentration of Cu2+ above 1 μM. The other ions of Zn2+, Pb2+, Ni2+, NH4+, Mn2+, Mg2+, K+, Hg2+, Fe2+, Fe3+, Cr3+, Co2+, Cd2+, and Ca2+ did not produce such spectral changes, even after they reacted with DDTC. The electroplating industrial wastewater samples were tested under the interference of highly concentrated ions of Fe3+, Ni2+, and Zn2+. The Raman spectroscopy-based quantification of Cu2+ ions was able to be achieved for the wastewater after treatment with alkaline chlorination, whereas the cyanide-containing water did not show any spectral changes, due to the complexation of the cyanide with the Cu2+ ions. A micromolar range detection limit of Cu2+ ions could be achieved by analyzing the Raman spectra of DDTC in the cyanide-removed water.

Dichlorido{2-[(3,4-dimethylphenyliminomethyl]pyridine-κ2N,N′}copper(II

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Mehdi Khalaj

2011-11-01

Full Text Available In the title complex, [CuCl2(C14H14N2], the CuII atom exhibits a very distorted tetrahedral coordination geometry involving two chloride ions and two N-atom donors from the Schiff base ligand. The range for the six bond angles about the Cu2+ cation is 81.49 (11–145.95 (9°. The chelate ring including the CuII atom is approximately planar, with a maximum deviation of 0.039 (4 Å for one of the C atoms; this plane forms a dihedral angle of 46.69 (9° with the CuCl2 plane.