Production of 64Cu on the Sherbrooke TR-PET cyclotron

At energies £15 MeV, ⁶⁴Cu is most readily produced using the ⁶⁴Ni(p,n)⁶⁴Cu reaction. Space restrictions in the TR-PET target selector required a target system of compact design that would still allow the quick and easy removal of the irradiated target. The target consists of a ⁶⁴Ni-plated rhodium disc held in place by a threaded cooling assembly. For removal, the cooling block is rotated slightly, allowing the disc to fall into a shielding container. The nickel is dissolved and the ⁶⁴Cu separated by anion exchange or electrochemical deposition. Yields of up to 330 mCi of radiochemically pure ⁶⁴Cu have been obtained.     

Dose-rate effect in the model of semi-localized transitions (SLT)

The model of semi-localized transitions (SLT) unifies two standard models of thermoluminescence (TL) and optically stimulated luminescence (OSL) kinetics – the simple trap model (STM) and the model of localized transitions (LT). SLT equations were previously formulated for the heating stage of TL. This paper presents SLT equations for the excitation and fast relaxation stages. Exemplary calculations were performed to show the occurrence of dose-rate effect – previously found in STM. It is shown that the dose-rate effect occurs for both – localized and delocalized TL glow peaks.     

On the phase transition to sheet percolation in random Cantor sets

Thed-dimensional random Cantor set is a generalization of the classical middle-thirds Cantor set. Starting with the unit cube [0, 1] ^d , at every stage of the construction we divide each cube remaining intoM ^d equal subcubes, and select each of these at random with probabilityp. The resulting limit set is a random fractal, which may be crossed by paths or (d–1)-dimensional sheets. We examine the critical probabilityp _s(M, d) marking the existence of these sheet crossings, and show that p_s(M,d)1–p_c(M ^d) asM, where p_c(M ^d) is the critical probability of site percolation on the lattice (M ^d) obtained by adding the diagonal edges to the hypercubic lattice ^d. This result is then used to show that, at least for sufficiently large values ofM, the phases corresponding to the existence of path and sheet crossings are distinct.     

Theoretical calculation of the coiled-coil stability in water in the context of its possible use as a molecular rack

The coiled-coil stability and rigidity may be of importance for molecular electronics (electronically bistable molecules). The coiled-coil binding free energy has been calculated using molecular dynamics (MD). The energy has been computed as a difference of the appropriate free energies; derived for the coiled-coil and isolated alpha-helices separately. All MD simulations have been performed using an explicit model of the solvent, whereas the continuum solvent approach has been applied to analyze the MD trajectories. The computed stability of the coiled-coil is of the order of -87 kcal/mol, i.e., about -1.2 kcal/mol per amino acid residue, and arises mainly from the electrostatic interactions and hydrophobic effect. The entropy term has been roughly estimated to be of the order of -22 kcal/mol. This assures that coiled-coil polypeptides may be used as a stable molecular scaffolding.     

Mechanical unfolding of the beet western yellow virus -1 frameshift signal

Using mechanical unfolding by optical tweezers (OT) and steered molecular dynamics (SMD) simulations, we have demonstrated the critical role of Mg(2+) ions for the resistance of the Beet Western Yellow Virus (BWYV) pseudoknot (PK) to unfolding. The two techniques were found to be complementary, providing information at different levels of molecular scale. Findings from the OT experiments indicated a critical role of stem 1 for unfolding of the PK, which was confirmed in the SMD simulations. The unfolding pathways of wild type and mutant appeared to depend upon pH and nucleotide sequence. SMD simulations support the notion that the stability of stem 1 is critical for -1 frameshifting. The all-atom scale nature of the SMD enabled clarification of the precise role of two Mg(2+) ions, Mg45 and Mg52, as identified in the BWYV X-ray crystallography structure, in -1 frameshifting. On the basis of simulations with "partially" and "fully" hydrated Mg(2+) ions, two possible mechanisms of stabilizing stem 1 are proposed. In both these cases Mg(2+) ions play a critical role in stabilizing stem 1, either by directly forming a salt bridge between the strands of stem 1 or by stabilizing parallel orientation of the strands in stem 1, respectively. These findings explain the unexpected drop in frameshifting efficiency to null levels of the C8U mutant in a manner consistent with experimental observations.     

Methandiide Complexes (R2CM2) of the Heavier Alkali Metals (M=Potassium,Rubidium, Cesium): Reaching the Limit?

Size does matter : Whereas geminal bimetallic bis(amidophosphorano)methandiide complexes of the heavy alkali metals K and Rb are relatively stable, that of Cs, the largest and most electropositive of the alkali metals, decomposes to form a cyclic product, which cocrystallizes with benzylcesium.