Investigation of the stability of Mn<Subscript>12</Subscript> single molecule magnets

The stability of single crystals and monolayers of Mn₁₂ single molecule magnets under the influence of X-ray radiation and other possibly disruptive influences has been investigated by means of synchrotron radiation. Clear evidence for radiation induced sample degradation was found for both single crystals and monolayers. The comparison with spectra obtained after damaging the molecules by Ar⁺ sputtering, metal evaporation or water moistening indicates a possibility to distinguish between radiation damage and other external influences. The results clarify some of the previous conflicting reports on the integrity of Mn₁₂ molecules deposited on surfaces and are linked to the investigations aiming at studies of the electronic and magnetic properties of individual Mn₁₂ clusters.     

1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters

[reaction: see text] 1,4-Diazepinones 5 and pyrrolodiazepinones 8 and 9 were synthesized from common homoallylic ketone precursors 4 prepared by copper-catalyzed cascade addition of a vinyl Grignard reagent to alpha-aminoacyl beta-amino esters 3. Nitrogen deprotection and intramolecular reductive amination yielded 1,4-diazepinones 5. Olefin oxidation, Boc removal, and intramolecular Paal-Knorr condensation gave pyrrolodiazepinones 8 and 9. X-ray structures of diazepinones 5c and 5d depicted dihedral angles about the alpha-amino acid moiety similar to those of the central residue in an ideal reverse gamma-turn.     

Diode Stack End-Pumped Nd：GdVO4 Continuous Wave Slab Laser

We report a diode stack end-pumped Nd：GdV04 slab laser with a near-diffraction-limited beam. The output power of 45.8 W at 1064nm is obtained under the pumping power of 147 W, with the optical-optical conversion efficiency of 31.2%, and the slope efficiency is 39.6%.     

Genetic algorithm for the design of molecules with desired properties

The design of molecules with desired properties is still a challenge because of the largely unpredictable end results. Computational methods can be used to assist and speed up this process. In particular, genetic algorithms have proved to be powerful tools with a wide range of applications, e.g. in the field of drug development. Here, we propose a new genetic algorithm that has been tailored to meet the demands of de novo drug design, i.e. efficient optimization based on small training sets that are analyzed in only a small number of design cycles. The efficiency of the design algorithm was demonstrated in the context of several different applications. First, RNA molecules were optimized with respect to folding energy. Second, a spinglass was optimized as a model system for the optimization of multiletter alphabet biopolymers such as peptides. Finally, the feasibility of the computer-assisted molecular design approach was demonstrated for the de novo construction of peptidic thrombin inhibitors using an iterative process of 4 design cycles of computer-guided optimization. Synthesis and experimental fitness determination of only 600 different compounds from a virtual library of more than 10¹⁷ molecules was necessary to achieve this goal.These authors contributed equally to the results presentedThese authors contributed equally to the results presentedThese authors contributed equally to the results presentedThese authors contributed equally to the results presented     

Radionuclides in produced water from Norwegian oil and gas installations — Concentrations and bioavailability

Substantial amounts of produced water, containing elevated levels of radionuclides (mainly ²²⁶Ra and ²²⁸Ra) are discharged to the sea as a result of oil and gas production on the Norwegian Continental Shelf. So far no study has assessed the potential radiological effects on marine biota in connection with radionuclide discharges to the North Sea. The main objective of the project is to establish radiological safe discharge limits for radium, lead and polonium associated with other components in produced water from oil and gas installations on the Norwegian continental shelf. This study reports results indicating that the presence of added chemicals such as scale inhibitors in produced water has a marked influence on the formation of radium and barium sulphates when produced water is mixed with sea water. Thus, the mobility and bioavailability of radium (and barium) will be larger than anticipated. Also, the bioavailability of food-borne radium is shown to increase due to presence of such chemicals.