995 resultados para Nickel complex
Resumo:
Promethazine picrate (C23H23N5O7S) crystallises in the triclinic space group P[unk] with a = 8.137(1), b = 8.144(3), c = 19.224(6) Å, α = 87.78(3), β = 79.97(2), γ = 70.57(2)° and two molecules per unit cell. The structure was solved by direct methods (MULTAN 80) using 2438 observed reflections [I > 2.5 σ(I)]. Refinement was carried out by block-diagonal least-squares methods to a final R = 0.052. The picrate group is planar and is almost perpendicular to the promethazine plane. The two groups are joined by a hydrogen bond. The pairs of molecules related by a centre of symmetry make a molecular arrangement where promethazine and picrate groups are packed in sheets in three dimensions.
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Electrodeposited nanocrystalline Ni films were processed with different levels of S, to evaluate the role of S on superplasticity. All the materials exhibited high strain rate superplasticity at a relatively low temperature of 777 K. Microstructural characterization revealed that the S was converted to a Ni3S2 phase which melts at 908 K; no S could be detected at grain boundaries. There was no consistent variation in ductility with S content. Superplasticity was associated with a strain rate sensitivity of similar to 0.8 and an inverse grain size exponent of similar to 1 both of which are unusual observations in superplastic flow of metals. Based on the detailed experiments and analysis, it is concluded that superplasticity in nano-Ni is related to an interface controlled diffusion creep process, and it is not related to the presence of S at grain boundaries or a liquid phase at grain boundaries. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Resumo:
The activity of NiO in NiO-MgO rock salt solid solution has been measured at 1300 K by employing a solid-state galvanic cell: Pt,Ni+ NiO||(CaO)ZrO2||Ni + (Nix,Mgl-x)O, Pt. A high-density tube of Zr02-15 mol% CaO has been used as the solid electrolyte for the emf measurements. The activities of the component oxides in the rock salt solid solution exhibit negative deviation from ideality at the temperature of investigation. The solid solution obeys regular solution behavior at 1300 K. The value of the regular solution parameter is found to be -12000 ((l000) J mol-1. The composition dependence of ΔGEx obtained in this study agrees reasonably well with the calorimetric data reported in the literature for NiO-MgO solid solution.
Resumo:
The evolution of crystallographic texture in polycrystalline copper and nickel has been studied. The deformation texture evolution in these two materials over seven orders of magnitude of strain rate from 3 x 10(-4) to similar to 2.0 x 10(+3) s(-1) show little dependence on the stacking fault energy (SFE) and the amount of deformation. Higher strain rate deformation in nickel leads to weakerh < 101 > texture because of extensive microband formation and grain fragmentation. This behavior, in turn, causes less plastic spin and hence retards texture evolution. Copper maintains the stable end < 101 > component over large strain rates (from 3 x 10(-4) to 10(+2) s(-1)) because of its higher strain-hardening rate that resists formation of deformation heterogeneities. At higher strain rates of the order of 2 x 10(+3) s(-1), the adiabatic temperature rise assists in continuous dynamic recrystallization that leads to an increase in the volume fraction of the < 101 > component. Thus, strain-hardening behavior plays a significant role in the texture evolution of face-centered cubic materials. In addition, factors governing the onset of restoration mechanisms like purity and melting point govern texture evolution at high strain rates. SFE may play a secondary role by governing the propensity of cross slip that in turn helps in the activation of restoration processes.
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Eiectroless nickel (EN) deposits obtained from alkaline EN baths employing citrate or glycine as complexing agents and triethanoiamine as an additive are characterized by ESCA. This study reveals that Ni and P in EN are present as Niδ+ and Pδ− species. Besides these, NiO and NiPO4 are present as surface species. They confer passivity on EN and thereby contribute to its corrosion resistance.
Resumo:
Polyamines are some of the most important and ubiquitous small molecules that modulate several functions of plant, animal and bacterial cells. Despite the simplicity of their chemical structure, their specific interactions with other biomolecules cannot be explained solely on the basis of their electrostatic properties. To evolve a structural understanding on the specificity of these interactions it is necessary to determine the structure of complexes of polyamines with other, representative biomolecules. This paper reports the structure of the 1:2 complex of hexanediamine and L-glutamic acid. The complex crystallizes in the monoclonic space group P2(1) with a = 5.171(1) angstrom, b = 22.044(2) angstrom, c = 10.181(2) angstrom and beta = 104.51(1)-degrees. The structure was refined to an R factor of 6.6%. The structures of these complexes not only suggest the importance of hydrogen-bonding interactions of polyamines but also provide some insight into other complementary interactions probably important for the specificity of biomolecular interactions.
Resumo:
Ternary cobalt(III) complexes CoL(B)] (1-3) of a trianionic tetradentate phenolate-based ligand (L) and phenanthroline bases (B), viz. 1,10-phenanthroline (phen in 1), dipyridoquinoxaline (dpq in 2) and dipyridophenazine (dppz in 3) are synthesized, characterized from X-ray crystallographic, analytical and spectral techniques, and their utility in photodynamic therapy (PDT) of thyroid diseases caused by TSH receptor dysfunction is probed. The complexes display a visible spectral band within the PDT spectral window at similar to 690 nm. Photodynamic potential was estimated through DNA cleavage activity of the dpq and dppz complexes in UV-A light of 365 nm and red light of 676 nm. The reactions proceed via the hydroxyl radical pathway. The complexes retain their DNA photocleavage activity in red light under anaerobic conditions, a situation normally prevails in hypoxic tumor core. Investigation into the photocytotoxic potential of these complexes showed that the dppz complex 3 is approximately 4-fold more active in the HEK293 cells expressing human thyrotropin receptor (HEK293-hTSHR) than in the parental cell line and has an insignificant effect on an unrelated human cervical carcinoma cell line (HeLa). Photoexcitation of complex 3 in HEK293-hTSHR cells leads to damage hTSHR as evidenced from the decrease in cAMP formation both in absence and presence of hTSH and decrease in the TSHR immunofluorescence with a concomitant cytoplasmic translocation of the membrane protein, cadherin. The involvement of hTSHR is evidenced from the ability of complex 3 to bind to the extracellular domain of hTSHR (hTSHR-ECD) with a K-d value of 81 nM and from the photocleavage of hTSHR-ECD.
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The complex permittivity characteristics of epoxy nanocomposite systems were examined and an attempt has been made to understand the underlying physics governing some of the unique macroscopic dielectric behaviors. The experimental investigations were performed using two different nanocomposite systems with low filler concentrations over the frequency range of 10(-2)-400 Hz, but for some cases, the data has been reported upto 10(6) Hz for a better understanding of the behaviors. Results demonstrate that nanocomposites do possess unique permittivity behaviors as compared to those already known for unfilled polymer and microcomposite systems. The nanocomposite real permittivity and tan delta values are found to be lower than that of unfilled epoxy. In addition, results show that interfacial polarization and charge carrier mobilities are suppressed in epoxy nanocomposite systems. The complex permittivity spectra coupled with the ac conductivity characteristics with respect to frequency was found to be sufficient to identify several of the nanocomposite characteristics like the reduction in permittivity values, reduction in the interfacial polarization mechanisms and the electrical conduction behaviors. Analysis of the results are also performed using electric modulus formalisms and it has been seen that the nanocomposite dielectric behaviors at low frequencies can also be explained clearly using this formalism.
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Propionate kinase catalyses the last step in the anaerobic breakdown of L-threonine to propionate in which propionyl phosphate and ADP are converted to propionate and ATR Here we report the structures of propionate kinase (TdcD) in the native form as well as in complex with diadenosine 5 ',5 '''-P-1,P-4-tetraphosphate (AP(4)A) by X-ray crystallography. Structure of TdcD obtained after cocrystallization with ATP showed Ap(4)A bound to the active site pocket suggesting the presence of Ap(4)A synthetic activity in TdcD. Binding of Ap(4)A to the enzyme was confirmed by the structure determination of a TdcD-Ap(4)A complex obtained after cocrystallization of TdcD with commercially available Ap(4)A. Mass spectroscopic studies provided further evidence for the formation of Ap(4)A by propionate kinase in the presence of ATP. In the TdcD-Ap(4)A complex structure, Ap(4)A is present in an extended conformation with one adenosine moiety present in the nucleotide binding site and other in the proposed propionate binding site. These observations tend to support direct in-line transfer of phosphoryl group during the kinase reaction.
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Hydrazinium metal chlorides, (N2H5)2MCl4·2H2O (where M = Fe, Co, Ni and Cu), have been prepared from the aqueous solutions of the respective metal chlorides and hydrazine hydrochloride (N2H4·HCl or N2H4·2HCl) and investigated by spectral and thermal analyses. The crystal structure of the iron complex has been determined by direct methods and refined by full-matrix least-squares to an R of 0.023 and Rw of 0.031 for 1495 independent reflections. The structure shows ferrous ion in an octahedral environment bonded by two hydrazinium cations, two chloride anions and two water molecules. In the complex cation [Fe(N2H5)2(H2O)2Cl2]2+, the coordinated groups are in trans positions.
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The protonic conductivity of ammonium ferrocyanide hydrate has been studied by the complex admittance method. The admittance plots show departures from ideal Debye behaviour. The values of ionic conductivity (sigma = 3.7 X 10(-5) (OMEGA-cm)-1) and diffusion coefficient (D = 3.8 X 10(-10) cm2/s) obtained at room temperature are consistent with the corresponding values estimated by an earlier NMR study.
Resumo:
Di-2-pyridylaminechloronitratocopper(II) hemihydrate, [CuCl(NO3)(C10H9N3)].0.5H2O, M(r) = 341.21, monoclinic, P2(1)/a, a = 7.382 (1), b = 21.494 (4), c = 8.032 (1) angstrom, beta = 94.26 (1)-degrees, V = 1270.9 angstrom 3, Z = 4, D(m) = 1.78, D(x) = 1.782 g cm-3, lambda(Mo K-alpha) = 0.7107 angstrom, mu(Mo K-alpha) = 19.47 cm-1, F(000) = 688. The structure was solved by the heavy-atom method and refined to a final R value of 0.034 for 2736 reflections collected at 294 K. The structure consists of polymeric [Cu(dipyam)Cl(NO3)] units bridged by a chloride ion.
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The polyamines spermine, spermidine, putrescine, cadaverine, etc. have been implicated in a variety of cellular functions. However, details of their mode of interaction with other ubiquitous biomolecules is not known. We have solved a few structures of polyamine-amino acid complexes to understand the nature and mode of their interactions. Here we report the structure of a complex of putrescine with DL-glutamic acid. Comparison of the structure with the structure of putrescine-L-glutamic acid complex reveals the high degree of similarity in the mode of interaction in the two complexes. Despite the presence of a centre of symmetry in the present case, the arrangement of molecules is strikingly similar to the L-glutamic acid complex.