Search results for " INO"
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Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether
2020
The molecule of the title oxybis compound lies on a twofold rotational axis. The conformation of the title compound is discussed and compared to those of related structures. In the crystal, molecules of the title compound are assembled into layers parallel to the ab plane through C—H⋯O hydrogen bonds.
Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)
2017
The absolute configuration of the title compound, determined as 4S,5R,6S on the basis of the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The molecule is formed by a substituted six-membered cyclohexene ring adopting an envelope conformation and substituted by carbonyl, methyl and hydroxyl groups. The supramolecular structure is mainly built by a combination of O—H⋯O and weaker C—H⋯O hydrogen bonds.
5,10-Dihydroindeno[2,1-a]indene
2019
The title compound, C16H12, crystallizes with four half molecules in the asymmetric unit, each of which is located on a crystallographic centre of inversion. The molecules are essentially planar. The crystal studied was a non-merohedral twin.
Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of trans-diaqua[2,5-bis(pyridin-4-yl)-1,3,4-oxadiazole]dithioc…
2019
The NiII atom in the mononuclear title complex has an almost regular octahedral N4O2 coordination geometry. In the crystal, the complex molecules are linked in a three-dimensional network through strong O—H⋯N hydrogen bonds.
Crystal structure of two N′-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides
2019
Two N′-(1-(phenylethylidene)-2-(thiophen-3-yl)acetohydrazides containing –OH and –OCH3 at the para-position of the phenyl ring have been synthesized and their molecular and crystal structures are reported.
Dynamic Role of Gold d-Orbitals during CO Oxidation under Aerobic Conditions
2022
High-energy-resolution fluorescence detection-X-ray absorption near-edge structure (HERFD-XANES) at the Au L3 edge was used to study gold catalysts supported on ceria in order to unravel the role of gold 5d orbital modifications during the activation of molecular oxygen. The variations in the HERFD-XANES resonance peak, which are directly correlated with the d-band occupancy, were monitored in situ during the redox process of the CO oxidation at room temperature under both aerobic and anaerobic conditions. Interestingly, upon the oxidation treatment and also during the aerobic CO oxidation treatment, the gold d-band fluctuates around an average value, proving that the gold clusters are part…
The interaction of transition metal complexes with deoxyribonucleic acid
2011
La presente tesi `e suddivisa in quattro capitoli. Il Capitolo 1 `e di carattere introduttivo. Nel Capitolo 2 viene trattata la sintesi e la caratterizzazione strutturale dei complessi di CuII, NiII e ZnII con il legante N,N’-Bis-5-(trietil ammonio metil salicilidene)-1,2- fenilendiammina. Inoltre, vengono riportati e confrontati i risultati dello studio della loro interazione con DNA nativo. Viene in particolare mostrato come l’interazione con DNA aumenti la stabilit`a fotochimica del complesso di ZnII. Infine, vengono evidenziati gli effetti del confinamento in cristalli liquidi sull’interazione del complesso di CuII e DNA.Nel Capitolo 3 `e riportata la sintesi e la caratterizzazione stru…
La detención preventiva y la libertad personal en la práctica del Tribunal Especial para el Líbano
2010
The present article analyzes the order CH/PTJ/09/06, issued by the Special Tribunal for Lebanon, on 29 April 2009, in terms of pre-trial detention, personal freedom, presumption of innocence and right to a fair and expeditious trial. From this point of view the article extend the reflection in considering the principal acts delivered by the Tribunal – Rules of Procedure and Evidence, Rules on Detention, Prosecutor’s applications and Pre-Trial Judge’s decisions – appraising its deep and concrete contribution in human rights protection. El presente artículo hace un análisis de la orden CH/PTJ/09/06 dictada por el Tribunal Especial para el Líbano con fecha de 29 de abril de 2009, referido espe…
B‐DNA structure and stability: the role of nucleotide composition and order
2022
Abstract We have quantum chemically analyzed the influence of nucleotide composition and sequence (that is, order) on the stability of double‐stranded B‐DNA triplets in aqueous solution. To this end, we have investigated the structure and bonding of all 32 possible DNA duplexes with Watson–Crick base pairing, using dispersion‐corrected DFT at the BLYP‐D3(BJ)/TZ2P level and COSMO for simulating aqueous solvation. We find enhanced stabilities for duplexes possessing a higher GC base pair content. Our activation strain analyses unexpectedly identify the loss of stacking interactions within individual strands as a destabilizing factor in the duplex formation, in addition to the better‐known eff…
Synthesis, structural, and thermal characterization of a new binuclear copper(II) chelate complex bearing an amine-hardener for epoxy resins
2016
A new di(μ-carbonato)bis[aqua(diethylenetriamine)copper(II)] hexahydrate complex, [{Cu(NH(C2H4NH2)2)(H2O)(μ-CO3)}2]⋅6H2O (1), was synthesized by direct interaction of malachite with diethylenetriamine (dien). The crystals of 1 were characterized by X-ray powder diffraction and IR spectra, as well as structurally characterized. Compound 1 consists of [{Cu(dien)(H2O)(μ-CO3)}2] discrete units whose CO32– anions play the role of bridging ligands combining two Cu(II) chelate cores into a centrosymmetric dimer. The elongated octahedral environment of Cu2+ consists of three nitrogens of dien and an oxygen from CO32– at the base of the bipyramid; the two apical positions of such polyhedron are occu…