The purpose of this study was to synthesize substituted 3,4-dihydropyrimidin-2(1H)ones (DHP) and to evaluate them for their antibacterial and antifungal activities. These compounds were synthesized by cyclocondensation reaction between substituted aromatic aldehyde i.e.,p-anisaldehyde, active methylene compounds (ethyl acetoacetate/acetylacetone), urea in the presence of CuCl2.2H2O and few drop...

Photoemission of an electron after a multi-electron system has absorbed a photon is commonly treated as one-particle phenomenon. Here we show how attosecond streaking spectroscopy in helium unveils the breakdown of this singleactive-electron approximation by recording up to 6 attoseconds retardation of the dislodged photoelectron due to the influence of electronic correlations. We measure the p...

The first-principles calculations are performed based on the density functional theory (DFT) [1] with generalized gradient approximation (GGA) in the form of Perdew-BurkeErnzerhof (PBE) functional [2] as implemented in Vienna Abinitio Simulation Package (VASP) [3]. The GGA +U method which treats the on-site repulsion interactions of 3d electrons in a mean field manner is used to evaluate the st...

The MSc thesis describes the design and evaluation of a comparative annotation system for prokaryotic genomes. The proposed system makes use of a combination of comparative and abinitio gene finding techniques for accurate annotation. The three main modules described in the system are the markov-model based gene finding module, the alignment based profiler and the comparative module that combin...

In recent experiments the irradiation of insulators of perovskite type with swift heavy ions under glancing incidence has been shown to provide a unique means to generate periodically arranged nanodots at the surface. The physical origin of these patterns has been suggested to stem from a highly anisotropic electron density distribution within the bulk. In order to show the relevance of the ele...

In a self-consistent semi-empirical numerical approach based on abinitio-calculations for small samples, we evaluate the GMR effect for disordered (001)-(3–Fe/3–V)∞ multilayers by means of a Kubo formalism. We consider four different types of disorder arrangements: In case (i) and (ii), the disorder consists in the random interchange of some Fe and V atoms, respectively, at interface layers; in...

We energetically predicted the morphology of Zr hydride precipitates in a hexagonal close-packed (HCP) matrix. Considering as ellipsoids, we used Eshelby’s ellipsoidal inclusions to calculate elastic energy increment due presence matrix, which anisotropy and inhomogeneity constants between were considered. compared difference with different shapes: plates (mimicked by penny-shape ellipsoids), n...