Search results for "Ordination"

Unveiling the reaction mechanism of novel copper N-alkylated tetra-azacyclophanes with outstanding superoxide dismutase activity.

2020

Quantum chemical and multiscale calculations reveal the mechanistic pathway of two superoxide dismutase mimetic N-alkylated tetra-azacyclophane copper complexes with remarkable activity. The arrangement of the binding site afforded by the bulky alkyl substituents and the coordinated water molecule as a proton source play key roles in the reaction mechanism.

From CO2 to dimethyl carbonate with dialkyldimethoxystannanes: the key role of monomeric species.

2011

International audience; The formation of dimethyl carbonate (DMC) from CO(2) and methanol with the dimer [n-Bu(2)Sn(OCH(3))(2)](2) was investigated by experimental kinetics in support of DFT calculations. Under the reaction conditions (357-423 K, 10-20 MPa), identical initial rates are observed with three different reacting mixtures, CO(2)/toluene, supercritical CO(2), and CO(2)/methanol, and are consistent with the formation of monomeric di-n-butyltin(iv) species. An intramolecular mechanism is, therefore, proposed with an Arrhenius activation energy amounting to 104 ± 10 kJ mol(-1) for DMC synthesis. DFT calculations on the [(CH(3))(2)Sn(OCH(3))(2)](2)/CO(2) system show that the exothermi…

Reciprocity as source of Coordination and Spontaneous Cooperation

2013

The diffusion of yhe use of reciprocity as an alternative as an complementary category to standard economic behaviours is connected to the creation and development ,during the last thirty years, of experimental economics and behavioural economics. This paper analyses, the concept of reciprocity as a source of spontaneous cooperation in the Prisoner's Dilemma and in the Gift-Exchange Game (both in the one-shot and repeated game versions). In order to attain spontaneous coordination a relational strategy based upon a cognitive-relstional structure of agtrrment assumes, that the participants share not only the traditionally intended payoffs, but also social values and relational norms and that…

Copper(II)-dipicolinate-mediated clickable azide–alkyne cycloaddition in water as solvent

2018

Copper(II)-dipicolinate complex [CuIIL(H2O)2] (1) (H2L = dipicolinic acid (H2dipic)) was synthesized via oxidation of copper(I) iodide and pyridine-2,6-dicarboxylic acid in water and acetonitrile in the presence of glycine. Complex 1 was characterized by FT-IR and elemental analysis and its structure confirmed by single crystal X-ray analysis. This complex is an efficient precatalyst that mediates azide-alkyne cycloaddition reactions in water at room temperature either in the absence or presence of a reducing agent. Compound 1-mediated azide-alkyne cycloaddition affords alkyl/aryl substituted 1,2,3-triazole heterocycles in a regioselective manner and excellent yields under very mild reactio…

Efficient DNA Cleavage Induced by Copper(II) Complexes of Hydrolysis Derivatives of 2,4,6‐Tri(2‐pyridyl)‐1,3,5‐triazine in the Presence of Reducing A…

2007

The reaction of 2,4,6-tri(pyridyl)-1,3,5-triazine (ptz) and copper(II) salts in dmf/water (1:1) results in the hydrolysis of ptz and formation of the anions bis(2-pyridylcarbonyl)amide (ptO2–) and bis(2-pyridylamine)amide (ptN2–), which are found in the complexes [Cu(ptN2)(OAc)]·3H2O (1), [Cu(ptO2)(OAc)(H2O)]·H2O (2), [Cu(ptN2)(for)]·3H2O (3) (for = formate), [Cu(ptO2)(for)(H2O)] (4), [Cu(ptO2)(benz)]·H2O (5) (benz = benzoate), and [Cu(ptO2)F(H2O)]2·3H2O (6). This report includes the chemical and spectroscopic characterization of all these complexes along with the crystal structures of 4–6. The coordination spheres of CuII in 4 and 5 are best described as distorted tetragonal square pyramid…

Ceļš: Teoloģijas fakultātes teoloģisks un kultūrvēsturisks izdevums; Nr.57

2006

Innovative Research Design – A Journey into the Information Typhoon

2014

Abstract Disasters are often characterized by their sudden onset and complex nature. The need for innovative and trans-disciplinary research that starts from the practice of disaster response is uncontested. Yet, the realities of field research require a rework of research design and processes. In the aftermath of Typhoon Haiyan that hit the Philippines in November 2013, a small team of researchers with different backgrounds came together in an innovative setting to investigate information management for decision support and sensemaking in the field. We combined the research in the field with remote support for logistics, communication and spot analyses. This letter describes our findings i…

Integrative Biomimetics of Autonomous Hexapedal Locomotion

2019

Despite substantial advances in many different fields of neurorobotics in general, and biomimetic robots in particular, a key challenge is the integration of concepts: to collate and combine research on disparate and conceptually disjunct research areas in the neurosciences and engineering sciences. We claim that the development of suitable robotic integration platforms is of particular relevance to make such integration of concepts work in practice. Here, we provide an example for a hexapod robotic integration platform for autonomous locomotion. In a sequence of six focus sections dealing with aspects of intelligent, embodied motor control in insects and multipedal robots-ranging from comp…

The Importance of the Romanian Library of Freiburg for the Romanian Exile in the Context of the Beginning of the Communism and the Sovietisation of t…

2018

One can notice a growing interest regarding the discovery and the highlighting of the forms of cultural resistance in the 1950-1989 period, especially the highlighting of the importance and significations of the post-war Romanian exile, in the communist period, based on the conservation and development of the interior existence together with keeping the modernist reaction regarding the autonomy of the aesthetics to its political insubordination. The Romanian Library of Freiburg constitutes an essential starting point in highlighting the types of cultural resistance of the exile. The Romanian cultural exile begun at the start of the 50s in Romania, when the persecutions of the intellectual e…

Templated synthesis of a rotaxane with a [Ru(diimine)3]2+ core.

2003

A rotaxane containing a ruthenium bisphenanthroline complex, acting as an axis, and a macrocycle incorporating a 2,2'-bipyridine (bpy) unit, threaded by the axis, has been synthesized. The bisphenanthroline ligand is such that its ruthenium(II) complexes possess a clearly identified axis, making such compounds ideal components of rotaxanes constructed around an octahedral ruthenium(II) center, which serves as a template. The ring is threaded by the axial ruthenium(II) precursor complex, to afford the corresponding pseudorotaxane in moderate yield. The X-ray structure analysis of this compound reveals the threaded nature of the complex. The length of the threaded ring (35 atoms in the periph…