Search results for " complexes"
showing 10 items of 818 documents
Genomic determinants of speciation and spread of the Mycobacterium tuberculosis complex
2019
14 páginas, 6 figuras
A knowledge-based decision support system in bioinformatics: An application to protein complex extraction
2013
Abstract Background We introduce a Knowledge-based Decision Support System (KDSS) in order to face the Protein Complex Extraction issue. Using a Knowledge Base (KB) coding the expertise about the proposed scenario, our KDSS is able to suggest both strategies and tools, according to the features of input dataset. Our system provides a navigable workflow for the current experiment and furthermore it offers support in the configuration and running of every processing component of that workflow. This last feature makes our system a crossover between classical DSS and Workflow Management Systems. Results We briefly present the KDSS' architecture and basic concepts used in the design of the knowl…
Ruthenium Metallodendrimers Based on Nitrile‐Functionalized Poly(alkylidene imine)s
2005
The preparation of the first- and second-generation of nitrile-functionalized poly(alkylidene imine) dendrimers with the organometallic ruthenium complex [Ru(η5-C5H5)(PPh3)2Cl] peripherally attached is described. The reaction of N,N′-bis(cyanomethyl)piperazine (1), N,N′-bis[N′′,N′′′-bis(cyanoethyl)aminoethyl]piperazine (2), or N,N,N′,N′-tetrakis(cyanoethyl)ethylenediamine (3) with [Ru(η5-C5H5)(PPh3)2Cl] (4) in the presence of TlPF6 gives the new air-stable ruthenium metallodendrimers 5, 6, and 7, respectively. These stable metallodendrimers are easily prepared and represent a novel quantitative method to solidify and chromatographically purify the otherwise semi-liquid nitrile-functionalize…
Preparation and Characterization of Novel Poly(alkylidenamine) Nitrile Ruthenium Metallodendrimers
2010
Complete functionalization of N,N,N',N'-[tetrakis(cyanoethyl)-hexamethylenediamine] [N≡C(CH 2 ) 2 ] 2 N(CH 2 ) 6 N[(CH 2 ) 2 -C≡N] 2 (4) and N,N,N',N'-(tetrakis(cyanoethoxypropyl)hexamethylenediamine] [N≡C(CH 2 ) 2 O(CH 2 ) 3 ] 2 N(CH 2 ) 6 N[(CH 2 ) 3 -O(CH 2 ) 2 C≡N] 2 (7) with the organometallic moiety [Ru(η 5 -C 5 H 5 )(PPh 3 ) 2 Cl] and the five-coordinate cis-[RuCl(dppe) 2 ]-[PF 6 ] [dppe = 1,2-bis(diphenylphosphanyl)ethane] was attained with good yield, respectively, by treating the metallo-fragment with the core in methanol (at room temperature and in presence of TIPF 6 as a chloride abstractor) and in 1,2-dichloroethane (under reflux). These novel nitrile-functionalized poly(alkyli…
Heterometallic CoII-CoIII-MII alkoxido-bridged heptanuclear motifs (M = Cu, Zn). Syntheses, crystal structures and magnetic properties
2018
Two new alkoxido-bridged heterometallic complexes of formula [CoIICoIII 3CuII 3(dea)6(CH3COO)3](ClO4)0.75(CH3COO)1.25 (1) and [CoII 2CoIII 2ZnII 3(tea)2(piv)6(CH3O)2(OH)2(CH3OH)2]·H2O 2 (H2dea=diethanolamine, H3tea=triethanolamine and Hpiv=pivalic acid) have been assembled using aminoalcohol ligands. The cationic core in 1 possesses a threefold crystallographic axis, and it exhibits a set of three copper(II), one cobalt(II) and three cobalt(III) ions arranged as a hexagon of alternating copper(II) and cobalt(III) ions around the central cobalt(II) ion. Each edge of the hexagon is defined by a double alkoxido bridge, the outer one being bis-monodentate with copper(II)-cobalt(III) pair wherea…
Synthesis and characterization of a Cu(II) complex of 2-benzylmercapto-5- methyl-1,3,4-thiadiazole (C10H10N2S 2)
2008
A Cu(II) complex of 2-benzylmercapto-5-methyl-1,3,4-thiadiazole was synthesized and characterized. The crystal structure of the copper complex and the free ligand were determined by single-crystal X-ray diffraction at room temperature: {[Cu(C10H10N2S2) 2(Cl)2], P1 triclinic, a = 8.1450(2) Å, b = 8.1690(2) Å, c = 10.8180(3) Å, α = 97.4040(12)°, β = 101.6270(11)°, γ = 116.1431(14)°; C10H10N2S2 ligand, Pbca orthorhombic, a = 8.7938(7) Å, b = 9.6491(7) Å, c = 25.3552(18) Å}. The metal complex framework consists of discrete units that provide crystalline stability through a network of van der Waals contacts. The Cu(II) is coordinated by two chloride ions and two 2-benzylmercapto-5-methyl-1,3,4- …
Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands
2013
Charged cydometalated (CN) iridium(III) complexes with carbene-based ancillary ligands are a promising family of deep-blue phosphorescent compounds. Their emission properties are controlled primarily by the main CN ligands, in contrast to the classical design of charged complexes where NN ancillary ligands with low-energy pi* orbitals, such as 2,2'-bipyridine, are generally used for this purpose. Herein we report two series of charged iridium complexes with various carbene-based ancillary ligands. In the first series the CAN ligand is 2-phenylpyridine, whereas in the second one it is 2-(2,4-difluorophenyl)-pyridine. One biscarbene (:CC:) and four different pyridine carbene (NC:) chelators a…
A dinuclear rhodium(III) complex with the N,N′-ethylenebis(salicylideneiminato) (salen) ligand in a bridging bis-bidentate mode of coordination. Crys…
1990
In this communication we describe the synthesis and crystal structure of the complex [{Rh(η 2 -(C 6 H 4 )PPh 2 )(η 2 -P(o-ClC 6 H 4 )Ph 2 )} 2 (salen)]-(SbF 6 ) 2 , showing the bridging configuration of the salen ligand
Effects of preorganization in the chelation of UO22+ by hydroxamate ligands: cyclic PIPO– vs linear NMA–
2018
International audience; Many siderophores incorporate as bidentate chelating subunits linear and more seldomly cyclic hydroxamate groups. In this work, a comparative study of the uranyl binding properties in aqueous solution of two monohydroxamic acids, the prototypical linear N-methylacetohydroxamic acid (NMAH) and the cyclic analog 1-hydroxypiperidine-2-one (PIPOH), has been carried out. The complex [UO2(PIPO)(2)(H2O)] crystallized from slightly acidic water solutions (pH < 5), and its molecular structure was determined by X-ray diffraction. The uranyl speciation in the presence of both ligands has been thoroughly investigated in a 0.1 M KNO3 medium at 298.2 K by the combined use of four …
DNA binding, nuclease activity, DNA photocleavage and cytotoxic properties of Cu(II) complexes of N-substituted sulfonamides.
2013
Abstract Ternary copper(II) complexes [Cu(NST)2(phen)] (1) and [Cu(NST)2(NH3)2]·H2O (2) [HNST = N-(4,5-dimethylthiazol-2-yl)naphthalene-1-sulfonamide] were prepared and characterized by physico-chemical techniques. Both 1 and 2 were structurally characterized by X-ray crystallography. The crystal structures show the presence of a distorted square planar CuN4 geometry in which the deprotonated sulfonamide, acting as monodentate ligand, binds to the metal ion through the thiazole N atom. Both complexes present intermolecular π–π stacking interactions between phenanthroline rings (compound 1) and between naphthalene rings (compound 2). The interaction of the complexes with CT DNA was studied b…