69 research outputs found

    Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

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    We describe a global optimization technique using `basin-hopping' in which the potential energy surface is transformed into a collection of interpenetrating staircases. This method has been designed to exploit the features which recent work suggests must be present in an energy landscape for efficient relaxation to the global minimum. The transformation associates any point in configuration space with the local minimum obtained by a geometry optimization started from that point, effectively removing transition state regions from the problem. However, unlike other methods based upon hypersurface deformation, this transformation does not change the global minimum. The lowest known structures are located for all Lennard-Jones clusters up to 110 atoms, including a number that have never been found before in unbiased searches.Comment: 8 pages, 3 figures, revte

    Special Functions Related to Dedekind Type DC-Sums and their Applications

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    In this paper we construct trigonometric functions of the sum T_{p}(h,k), which is called Dedekind type DC-(Dahee and Changhee) sums. We establish analytic properties of this sum. We find trigonometric representations of this sum. We prove reciprocity theorem of this sums. Furthermore, we obtain relations between the Clausen functions, Polylogarithm function, Hurwitz zeta function, generalized Lambert series (G-series), Hardy-Berndt sums and the sum T_{p}(h,k). We also give some applications related to these sums and functions

    Aspergillus as a multi-purpose cell factory: current status and perspectives

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    Aspergilli have a long history in biotechnology as expression platforms for the production of food ingredients, pharmaceuticals and enzymes. The achievements made during the last years, however, have the potential to revolutionize Aspergillus biotechnology and to assure Aspergillus a dominant place among microbial cell factories. This mini-review will highlight most recent breakthroughs in fundamental and applied Aspergillus research with a focus on new molecular tools, techniques and products. New trends and concepts related to Aspergillus genomics and systems biology will be discussed as well as the challenges that have to be met to integrate omics data with metabolic engineering attempts

    Frequency of Hashimoto\u2019s thyroiditis in children with Type I diabetes mellitus.

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