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Université de Neuchâtel

Aromatic Bent-Core Liquid Crystals: an Opportunity for Introducing Terdentate Binding Units into Mesophases

Nozary, Homayoun ; Piguet, Claude ; Rivera, Jean-Pierre ; Tissot, Paul ; Morgantini, Pierre-Yves ; Weber, Jacques ; Bernardinelli, Gérald ; Bünzli, Jean-Claude G. ; Deschenaux, Robert ; Donnio, Bertrand ; Guillon, Daniel

In: Chemistry of Materials, 2012, vol. 14, no. 3, p. 1075–1090

Lipophilic linear semirigid side arms containing two or three successive phenyl rings separated by carboxylate spacers have been connected to the 5 or 6 positions of bent aromatic terdentate 2,6-bis(benzimidazol-2-yl)pyridine binding units to give extended V-shaped (L11) and I-shaped receptors (L12, L12b, and L13). The carboxylate spacers limit the flexibility of the...

Université de Neuchâtel

Combining coordination and hydrogen-bonds to form arene ruthenium metalla-assemblies

Appavoo, Divembal ; Carnevale, Diego ; Deschenaux, Robert ; Therrien, Bruno

In: Journal of Organometallic Chemistry, 2016, vol. 824, p. 80-87

Three ureido-pyrimidone derivatives (N-LH) were used to generate in combination with four dinuclear arene ruthenium clips, (p-cymene) 2Ru2(OO boolean AND OO)Cl2 (OO boolean AND OO = oxalato, 2,5-dioxido-1,4-benzoquinonato, 2,5-dichloro-1,4-benzoquinonato, 5,8-dioxido-1,4-naphtoquinonato), twelve cationic arene ruthenium metalla-cycles of the...

Université de Fribourg

Structural and functional characterization of the CAP domain of pathogen-related yeast 1 (Pry1) protein

Darwiche, Rabih ; Kelleher, Alan ; Hudspeth, Elissa M. ; Schneiter, Roger ; Asojo, Oluwatoyin A.

In: Scientific Reports, 2016, vol. 6, p. 28838

The production, crystal structure, and functional characterization of the C-terminal cysteine-rich secretory protein/antigen 5/pathogenesis related-1 (CAP) domain of pathogen-related yeast protein-1 (Pry1) from Saccharomyces cerevisiae is presented. The CAP domain of Pry1 (Pry1CAP) is functional in vivo as its expression restores cholesterol export to yeast mutants lacking endogenous Pry1 and...

Université de Fribourg

Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains

García-Fuente, Amador ; Gallego, L J ; Vega, A

In: Journal of Physics: Condensed Matter, 2015, vol. 27, no. 13, p. 135301

By means of density-functional-theoretic calculations, we investigated the structural, electronic and transport properties of hydrogen-passivated zigzag graphene nanoribbons (ZGNRs) on which a one-atom-thick Mo chain was adsorbed (with or without one or two missing atoms), or in which the passivating hydrogen atoms were replaced by Mo atoms. Mo-passivated ZGNRs proved to be nonmagnetic. ZGNRs...

Université de Fribourg

Electromers of the benzene dimer radical cation

Błoch-Mechkour, Anna ; Bally, Thomas

In: Physical Chemistry Chemical Physics, 2015, vol. 17, no. 16, p. 10624–10629

The well-studied benzene dimer radical cation, which is prototypical for this class of species, has been reinvestigated computationally. Thereby it turned out that both the σ-hemibonded and the half-shifted sandwich structures of the benzene dimer cation, which had been independently proposed, represent stationary points on the B2PLYP-D potential energy surfaces. However, these structures belong...

Université de Fribourg

The influence of dipole moments on the mechanism of electron transfer through helical peptides

Lauz, Miriam ; Eckhardt, Sonja ; Fromm, Katharina M. ; Giese, Bernd

In: Physical Chemistry Chemical Physics, 2012, vol. 14, no. 40, p. 13785-13788

The life time of aromatic radical cations is limited by reactions like β-elimination, dimerization, and addition to the solvent. Here we show that the attachment of such a radical cation to the C-terminal end of an α-/3₁₀-helical peptide further reduces its life time by two orders of magnitude. For PPII-helical peptides, such an effect is only observed if the peptide contains an adjacent...

Université de Neuchâtel

Thiolato-Bridged Arene–Ruthenium Complexes: Synthesis, Molecular Structure, Reactivity, and Anticancer Activity of the Dinuclear Complexes [(arene)2Ru2 (SR)2Cl2]

Ibao, Anne-Flore ; Gras, Michaël ; Therrien, Bruno ; Süss-Fink, Georg ; Zava, Olivier ; Dyson, Paul J.

In: European Journal of Inorganic Chemistry, 2012, vol. 2012, no. 9, p. 1531-1535

Treatment of an arene–ruthenium dichloride dimer with thiols RSH to lead to cationic trithiolato complexes of the type [(arene) 2Ru2(SR)3]+ was shown to proceed through the neutral thiolato complexes [(arene)2Ru2(SR)2Cl2], which have been isolated and characterized for arene =...