No. 6, Juin 2009

Tome 54, No 6 Juin 2009

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1. Young Roumanian Scientists

Guest editors: Ana-Nicoleta Bondar, Petre T. Frangolpol

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2. Narcis AVARVARI

Tetrathiafulvalene-oxazolines (TTF-OX) and derivatives: valuable precursors for chiral conductors and electroactive complexes

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Key words: chirality, tetrathiafulvalenes, molecular conductors, oxazolines, catalysis.

3. Yves-Marie LEGRAND, Florina DUMITRU, Carole ARNAL-HERAULT, Mathieu MICHAU and Mihail D. BARBOIU

Dynamic constitutional materials. Crystallization-and sol-gel-driven self-sorting of functional supramolecular architectures

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Key words: dynamic constitutional materials, supramolecular chemistry, dynamic combinatorial libraries, selection, evolution.

4. Ana-Nicoleta BONDAR

Bacteriorhodopsin proton pumping mechanism: insights from computer simulations

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Key words: proton transfer; bacteriorhodopsin; QM/MM.

5. Dragos HORVATH

The pharmacophore approach in chemoinformatics

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Key words: pharmacophore fingerprints, molecular similarity, machine learning, in silico drug design.

6. Tudor LUCHIAN

Dipole potential-induced modulation of the interactions between reconstituted lipid membranes and certain pore-forming peptides

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Key words: dipole potential, antimicrobial peptides, single-molecule recordings.

7. Sorinel A. OPRISAN

Reducing the complexity of computational models of neurons using bifurcation diagrams

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Key words:bifurcation diagram, dopamine neuron, L-type calcium current, small conductance potassium current, slowly-activating potassium current.

8. Sofia I. PASCU

CO/alkene copolymerisation reactions catalysed by chelating diphosphine, diimine and hemilabile N/O, P/O and P/N late transition metal complexes revisited

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Key words: CO / ethylene copolymerisation catalysis, group 10 complexes, hemilabile ligands.

9. Cristina POP

Molecular mechanisms of caspase activation and folding

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Key words: caspase, protease, apoptosis, protein folding.


Nitric oxide and nitrite reduction by metalloenzymes

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Key words: nitrite reductase, nitric oxide reductase, linkage isomerism, density functional calculations, heme.

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