Search results for "solution"
showing 10 items of 5638 documents
Unusual binding ability of α,β-dehydrodipeptides towards metal ions
1994
Abstract Ni II , Zn II and Co II complexes of α,β-dehydro-dipeptides (containing Gly, Leu, Ala, Val or Phe residues) were studied by potentiometric and spectroscopic methods. Deprotonation and coordination of amide nitrogens occurred in all cases around the physiological pH range. The dipeptides with composition of Xaa-Δ-Ala formed octahedral species, while Gly-Δ-Xaa (Xaa = Leu or Phe) formed square planar bis complexes with Ni II .
A novel polynitrile ligand with different coordination modes: Synthesis, structure and magnetic properties of the series [M(tcnoprOH)2(H2O)2] (M=Mn, …
2008
International audience; A novel polynitrile ligand (tcnoprOH− = [(NC)2CC(OCH2CH2CH2OH)C(CN)2]−) with up to five potentially coordinating groups has been synthesized in a one-pot reaction from a cyclic acetal and malononitrile. The combination of this novel ligand with different transition metal ions has led to the synthesis of two different structural types with the same formula but with different coordination modes in the ligand. Mn(II) and Cu(II) lead to a μ2-N,O-coordinating mode in the series of compounds formulated as [M(N,O-tcnoprOH)2(H2O)2] (M = MnII (1) and CuII (2)), whereas Co(II) and, most probably Ni(II), lead to a μ2-N,N′-coordinating mode in [Co(N,N′-tcnoprOH)2(H2O)2] (3). Bot…
Hydrolysis of Phosphotriesters: A Theoretical Analysis of the Enzymatic and Solution Mechanisms
2012
A theoretical study on the alkaline hydrolysis of paraoxon, one of the most popular organophosphorus pesticides, in aqueous solution and in the active site of Pseudomonas diminuta phosphotriesterase (PTE) is presented. Simulations by means of hybrid quantum mechanics/molecular mechanics (QM/MM) potentials show that the hydrolysis of paraoxon takes place through an A(N)D(N) or associative mechanism both in solution and in the active site of PTE. The results correctly reproduce the magnitude of the activation free energies and can be used to rationalize the observed kinetic isotope effects (KIEs) for the hydrolysis of paraoxon in both media. Enzymatic hydrolysis of O,O-diethyl p-chlorophenyl …
Binuclear Cu2+ complex mediated discrimination between L-glutamate and L-aspartate in water.
2005
L-Glutamate and L-aspartate selectivity is achieved by the action of two Cu2+ metal ions rightly disposed in a cyclophanetype macrocyclic framework; electrochemical sensing of glutamate has been achieved by adsorption of the copper complexes on graphite electrodes. Verdejo Viu, Begoña, Begona.Verdejo@uv.es ; Domenech Carbo, Antonio, Antonio.Domenech@uv.es ; Jimenez Garcia, Hermas Rafael, Hermas.Jimenez@uv.es ; Soriano Soto, Concepción, Concepcion.Soriano@uv.es ; Garcia-España Monsonis, Enrique, Enrique.Garcia-Es@uv.es
Fluoroquinolone–metal complexes: A route to counteract bacterial resistance?
2014
Abstract Microbial resistance to antibiotics is one of the biggest public health threats of the modern world. Antibiotic resistance is an area of much clinical relevance and therefore research that has the potential to identify agents that may circumvent it or treat resistant infections is paramount. Solution behavior of various fluoroquinolone (FQ) complexes with copper(II) in the presence and absence of 1,10-phenanthroline (phen) was studied in aqueous solution, by potentiometry and/or spectrophotometry, and are herein described. The results obtained showed that under physiological conditions (micromolar concentration range and pH 7.4) only copper(II):FQ:phen ternary complexes are stable.…
An Automated System for Dimensional Control Based on Computer Vision
2002
A totally automated control method for the dimensional control of pieces has been developed by Computer Vision techniques, combined with a movement equipment managed by the control system. By employing this technique it’s possible to perform the dimensional control on manufactured articles having geometric characteristics that don’t allow a trouble-free image acquisition maintaining a good resolution. By employing the same equipment an automated three-dimensional control system, based on stereoscopic vision has been developed.
Solid State Luminescence Enhancement in π-Conjugated Materials: Unraveling the Mechanism beyond the Framework of AIE/AIEE
2017
Solid state luminescence enhancement (SLE) of conjugated organic materials has had a great impact in materials science, but a deep understanding has been rather limited to date. Here, we investigate a prototype example of SLE materials, cyano-substituted distyrylbenzene (DCS), by varying systematically and subtly the substitution pattern (inter alia of the position of the cyano-substituent) to give largely different photoresponse in fluid and solid solution as well in the crystalline state. The combination of quantitative (ultra)fast optical spectroscopic techniques, appropriate quantum-chemical methods, and structural (X-ray) data allows us to elucidate and rationalize all details of the S…
A density functional theory study of uranium(VI) nitrate monoamide complexes.
2011
Density functional theory calculations were performed on uranyl complexed with nitrate and monoamide ligands (L) [UO(2)(NO(3))(2)·2L]. The obtained results show that the complex stability is mainly governed by two factors: (i) the maximization of the polarizability of the coordinating ligand and (ii) the minimization of the steric hindrance effects. Furthermore, the electrostatic interaction between ligands and uranium(vi) was found to be a crucial parameter for the complex stability. These results pave the way to the definition of (quantitative) property/structure relationships for the in silico screening of monoamide ligands with improved extraction efficiency of uranium(vi) in nitrate ac…
Effects of steric encumbrance of iridium( iii ) complex core on performance of solution-processed organic light emitting diodes
2020
Iridium(iii) complexes are the most frequently applied commercialized green and red emitters for organic light emitting diode (OLED) displays. Throughout years a significant research effort has been devoted to modify these compounds, in order to make them suitable for cost-effective solution-processing techniques, such as inkjet printing. To achieve this, the inherent tendency of the complex molecules to form poorly emissive aggregates needs to be suppressed. In many cases this has been achieved by an encapsulation of the iridium(iii) complex core with dendritic structures, composed of either passive or charge-transporting fragments. In order to validate this approach, we acquired three str…
Binding abilities of dehydropeptides towards Cu(II) and Ni(II) ions. Impact of Z–E isomerization on metal ion binding
2002
The study on the binding ability of dehydro-tri- and tetrapeptides has shown that the alpha,beta-double bond has a critical effect on the peptide coordination to metal ions. It may affect the binding of the vicinal amide nitrogens by the electronic effect and stabilize the complex due to steric effects. The (Z) isomer is the most effective in stabilizing of the complexes formed. The presence of large side chain in the dehydroamino acid residue may also be critical for the coordination mode in the metallopeptide systems.