In this study, the recombinant α-L-arabinofuranosidase from the fungus Pleurotus ostreatus (rPoAbf) was subjected to site-directed mutagenesis with the aim of elucidating the role of glycosylation on the properties of the enzyme at the level of S160 residue. As a matter of fact, previous mass spectral analyses had led to the localization of a single O-glycosylation at this site. Recombinant exp...

Modern ab initio and multiscale methods enable the simulation of vibrational properties of very large molecules. Within the harmonic approximation, the traditional generation of the spectra based on the force field diagonalization can become inefficient due to the excessive demands on computer time and memory. The present study proposes to avoid completely the matrix diagonalization with a dire...

Circular dichroism (CD), and NMR spectra have been recorded and molecular dynamics (MD) simulations have been performed in water and water-trifluoroethanol (TFE) mixed solvent for a synthetic biologically active 13-amino-acid fragment of human fibronectin and two related peptides. The CD results are interpreted on the basis of statistical analyses of MD trajectories and of ensuing calculations ...

Clusters are small systems ranging from a few atoms up to several thousand atoms. They are of high interest in basic research, but also for applications due to their specific electronic, magnetic or chemical properties depending on size and composition. For small clusters, quantum size effects play an important role and specific material properties might be tailored by choosing a special size o...

Circular dichroism spectra of naturally occurring molecules and also of synthetic chiral arrangements of plasmonic particles often exhibit characteristic bisignate shapes. Such spectra consist of peaks next to dips (or vice versa) and result from the superposition of signals originating from many individual chiral objects oriented randomly in solution. Here we show that by first aligning and th...

The current-induced motion of magnetic domain walls (DWs) confined to nanostructures is of great interest for fundamental studies as well as for technological applications in spintronic devices. Here, we present magnetic images showing the depinning properties of pulse-current-driven domain walls in well-shaped Permalloy nanowires obtained using photoemission electron microscopy combined with x...

here, we propose an optical filter and an optical power splitter based on two-dimensionalphotonic crystal all circular ring resonators. these structures are made of a square lattice ofsilicon rods with the refractive index n1=3.464 surrounded by air (with refractive indexn2=1). first, we have designed the filter and by using that, we designed a power splitter. thetransmission efficiency and qua...

The structure and optical properties of a set of R-1,1'-binaphthyl-2,2'-dithiol (R-BINAS) monosubstituted A-Au38(SCH3)24 clusters are studied by means of time dependent density functional theory (TD-DFT). While it was proposed earlier that BINAS selectively binds to monomer motifs (SR-Au-SR) covering the Au23 core, our calculations suggest a binding mode that bridges two dimer (SR-Au-SR-Au-RS) ...

The element-specific magnetic structure of an epitaxially grown Mn_52Pd_48/Fe bilayer showing exchange bias was investigated with atomic-layer depth sensitivity at the antiferromagnet/ferromagnet interface by soft-x-ray magnetic circular dichroism and magnetic reflectivity. A complex magnetic interfacial configuration, consisting of a 2-monolayer-thick induced ferromagnetic region, and pinned u...

The magnetic moment of a single impurity atom in a finite free electron gas is studied in a combined x-ray magnetic circular dichroism spectroscopy, charge transfer multiplet calculation, and density functional theory study of size-selected free chromium-doped gold clusters. The observed size dependence of the local magnetic moment can be understood as a transition from a local moment to a mixe...