Glycosides, depression and suicidal behaviour: the role of glycoside-linked proteins

Nowadays depression and suicide are two of the most important worldwide public health problems. Although their specific molecular mechanisms are still largely unknown, glycosides can play a fundamental role in their pathogenesis. These molecules act presumably through the up-regulation of plasticity-related proteins: probably they can have a presynaptic facilitatory effect, through the activation of several intracellular signaling pathways that include molecules like protein kinase A, Rap-1, cAMP, cADPR and G proteins. These proteins take part in a myriad of brain functions such as cell survival and synaptic plasticity. In depressed suicide victims, it has been found that their activity is strongly decreased, primarily in hippocampus and prefrontal cortex. These studies suggest that glycosides can regulate neuroprotection through Rap-1 and other molecules, and may play a crucial role in the pathophysiology of depression and suicide.     

Formation of efficient catalytic silver nanoparticles on carbon nanotubes by adenine functionalization

Stuck together: Adenine/carbon nanotube hybrids trigger the formation of controlled-size catalytic silver nanoparticles on the nanotube surface. The catalytic efficiency of the resulting species was assessed in the oxidation of 2-methylhydroquinone to its corresponding benzoquinone, with complete recovery and without loss of activity of the catalyst.     

Unprecedented gas-phase chiroselective logic gates

The gas-phase encounters between 2-aminobutane and proton-bound chiral resorcin[4]arene/nucleoside complexes behave in the gas phase as supramolecular "chiroselective logic gates" by releasing the nucleoside depending on the resorcin[4]arene and the 2-aminobutane configurations.     

Dynamic behaviour of Ru and Ru-Pt complexes containing tetrahedro-P4 ligand

Dynamic processes involving the P(4) cage coordinated to transition metal fragments were observed for the mononuclear complex trans-[Ru(dppm)(2)(H)(η(1)-P(4))]BF(4) and for the bimetallic derivative trans-[Ru(dppm)(2)(H)(μ ,η(1:2)-P(4)){Pt(PPh(3))(2)}]BF(4) as demonstrated by NMR experiments and DFT calculations.     

Peroxidic perfluoropolyether for the covalent binding of perfluoropolyether chains on carbon black surface

Peroxidic perfluoropolyethers (PFPEs) are suitable tools for the covalent linkage of fluorinated groups on substrates containing aromatic moieties. Thus the thermal decomposition process of such fluorinated peroxides allowed the covalent linkage of PFPE radicals to the polycyclic aromatic structure of a graphitic carbon black. Contact angle measurements on molded pellets made with modified carbon black powders revealed a gradual enhancement of the hydrophobicity, which follows the increase of the fluorine content on the surface according to XPS experiments. BET analyses also revealed variations of the surface area of carbonaceous samples. Products and by-products were also evaluated by mass balances of decomposed portions of PFPE residues, respectively, PFPE chains bonded on carbon black and PFPE fluids obtained by homocoupling side-reactions. Modified carbonaceous materials were analyzed by solid state ¹⁹F-MAS NMR and the results are in agreement with the proposed radical mechanism.     

Targeting intermediates of [FeFe]-hydrogenase by CO and CN vibrational signatures

In this work, we employ density functional theory to assign vibrational signatures of [FeFe]-hydrogenase intermediates to molecular structures. For this purpose, we perform an exhaustive analysis of structures and harmonic vibrations of a series of CN and CO containing model clusters of the [FeFe]-hydrogenase enzyme active site considering also different charges, counterions, and solvents. The pure density functional BP86 in combination with a triple-ζ polarized basis set produce reliable molecular structures as well as harmonic vibrations. Calculated CN and CO stretching vibrations are analyzed separately. Scaled vibrational frequencies are then applied to assign intermediates in [FeFe]-hydrogenase's reaction cycle. The results nicely complement the previous studies of Darensbourg and Hall, and Zilberman et al. The infrared spectrum of the H(ox) form is in very good agreement with the calculated spectrum of the Fe(I)Fe(II) model complex featuring a free coordination site at the distal Fe atom, as well as, with the calculated spectra of the complexes in which H(2) or H(2)O are coordinated at this site. The spectrum of H(red) measured from Desulfovibrio desulfuricans is compatible with a mixture of a Fe(I)Fe(I) species with all terminal COs, and a Fe(I)Fe(I) species with protonated dtma ligand, while the spectrum of H(red) recently measured from Chlamydomonas reinhardtii is compatible with a mixture of a Fe(I)Fe(I) species with a bridged CO, and a Fe(II)Fe(II) species with a terminal hydride bound to the Fe atom.     

Theoretical study and numerical simulation of textiles

We propose a new approach for developing continuum models fit to describe the mechanical behavior of textiles. We develop a physically motivated model, based on the properties of the yarns, which can predict and simulate the textile behavior. The approach relies on the selection of a suitable topological model for the patch of the textile, coupled with constitutive models for the yarn behavior. The textile structural configuration is related to the deformation through an energy functional, which depends on both the macroscopic deformation and the distribution of internal nodes. We determine the equilibrium positions of these latter, constrained to an assigned macroscopic deformation. As a result, we derive a macroscopic strain energy function, which reflects the possibly nonlinear character of the yarns as well as the anisotropy induced by the microscopic topological pattern. By means of both analytical estimates and numerical experiments, we show that our model is well suited for both academic test cases and real industrial textiles, with particular emphasis on the tricot textile.     

Resonance and rotation numbers for planar Hamiltonian systems: Multiplicity results via the Poincaré-Birkhoff theorem

In the general setting of a planar first order system

(0.1)     

Exact and approximate solutions for the dilute Ising model

The ground state energy and entropy of the dilute mean field Ising model is computed exactly by a single order parameter as a function of the dilution coefficient. An analogous exact solution is obtained in the presence of a magnetic field with random locations. Results lead to a complete understanding of the geography of the associated random graph. In particular, we give the size of the giant component (continent) and the number of isolated clusters of connected spins of all given size (islands). We also compute the average number of bonds per spin in the continent and in the islands. Then, we tackle the problem of solving the dilute Ising model at strictly positive temperature. In order to obtain the free energy as a function of the dilution coefficient and the temperature, it is necessary to introduce a second order parameter. We are able to find out the exact solution in the paramagnetic region and exactly determine the phase transition line. In the ferromagnetic region we provide a solution in terms of an expansion with respect to the second parameter which can be made as accurate as necessary. All results are reached in the replica frame by a strategy which is not based on multi-overlaps.