Antimicrobial peptides and their superior fluorinated analogues: structure-activity relationships as revealed by NMR spectroscopy and MD calculations

The conformations of two synthetic pentapeptides with antimicrobial activity and their 4-fluorophenylalanine (Pff)-containing analogues (ArXArXAr-NH(2); Ar=Phe, Pff; X=Lys, Arg) have been studied. NMR experiments carried out both in aqueous fluoroalcohol solutions and SDS micelles permitted their interactions with membrane-like environments to be explored. WaterLOGSY experiments and Mn(2+)-based paramagnetic probes were also applied to assess their orientations with respect to the SDS micelles. In addition, pulse-field gradient (PFG) diffusion NMR spectroscopy studies were conducted, under different experimental conditions (i.e., concentration, temperature) to characterize the possible changes in the peptides' aggregation states as a putative critical factor for their antimicrobial activity. Finally, molecular dynamics simulations on a variety of conformations showed the intrinsic flexibility of these peptides in both aqueous solutions and membrane-mimetic systems.     

Luster Pottery from the Thirteenth Century to the Sixteenth Century: A Nanostructured Thin Metallic Film

Luster is a decorative metallic film that was applied on the surface of medieval glazed pottery. It can be obtained via the low-temperature (∼650°C), controlled reduction of copper and silver compounds. In this paper, we show that luster is a thin layered film (200–500 nm thick) that contains metallic spherical nanocrystals dispersed in a silicon-rich matrix and has a metal-free outermost glassy layer that is 10–20 nm thick. Silver nanocrystals seem to be separated from those of copper, forming aggregates 5–100 μm in diameter. This composite structure exhibits optical properties that are dependent on both the particle size and the matrix. Luster is indeed the first reproducible nanostructured thin metallic film that was made by humans.     

DCE-MRI of hepatocellular carcinoma: perfusion quantification with Tofts model versus shutter-speed model—initial experience

Objective

To quantify hepatocellular carcinoma (HCC) perfusion and flow with the fast exchange regime-allowed Shutter-Speed model (SSM) compared to the Tofts model (TM).

Materials and methods

In this prospective study, 25 patients with HCC underwent DCE-MRI. ROIs were placed in liver parenchyma, portal vein, aorta and HCC lesions. Signal intensities were analyzed employing dual-input TM and SSM models. ART (arterial fraction), K ^trans (contrast agent transfer rate constant from plasma to extravascular extracellular space), v _e (extravascular extracellular volume fraction), k _ep (contrast agent intravasation rate constant), and τ _i (mean intracellular water molecule lifetime) were compared between liver parenchyma and HCC, and ART, K ^trans, v _e and k _ep were compared between models using Wilcoxon tests and limits of agreement. Test–retest reproducibility was assessed in 10 patients.

Results

ART and v _e obtained with TM; ART, v _e , k _e and τ _i obtained with SSM were significantly different between liver parenchyma and HCC (p < 0.04). Parameters showed variable reproducibility (CV range 14.7–66.5 % for both models). Liver K ^trans and v _e ; HCC v _e and k _ep were significantly different when estimated with the two models (p < 0.03).

Conclusion

Our results show differences when computed between the TM and the SSM. However, these differences are smaller than parameter reproducibilities and may be of limited clinical significance.

     

A refined circular template matching method for classification of human cytomegalovirus capsids in TEM images

An automatic image analysis method for describing, segmenting, and classifying human cytomegalovirus capsids in transmission electron micrograph (TEM) images of host cell nuclei has been developed. Three stages of the capsid assembly process in the host cell nucleus have been investigated. Each class is described by a radial density profile, which is the average grey-level at each radial distance from the center. A template, constructed from the profile, is used to find possible capsid locations by correlation based matching. The matching results are further refined by size and distortion analysis of each possible capsid, resulting in a final segmentation and classification.     

Input-output properties of the Page-Hinkley detector

We consider the stochastic input-output properties of a simple non-linear dynamical system, the so-called Page-Hinkley detector, playing a key role in change detection, and also in queuing theory. We show that for L-mixing inputs with negative expectation the output process of this system is L-mixing. The result is applied to get an upper bound for the false alarm rate. The proof is then adapted to get a similar result for the case of random i.i.d. inputs. Possible extensions and open problems are given in the discussion.     

Dislocation generation related to micro-cracks in Si wafers: High temperature in situ study with white beam X-ray topography

The generation and propagation of dislocations in Si at high temperature is observed in situ with white beam X-ray topography. For the heating experiments a double ellipsoidal mirror furnace was installed at the Topo–Tomo beamline of the ANKA synchrotron light source, Research Centre Karlsruhe, Germany. Details of the experimental set-up and the first results on the occurrence of dislocations are presented. Artificial damage was generated in commercial (1 0 0) Si wafers using a nanoindenter with various loads. The applied forces for each set of indents were varied from 100 to 500 mN, respectively. After heating to approx. 790 °C large area transmission topographs were taken every 30 min which were then compared to room temperature topographs before and after heating. At the outset straight 60°-dislocations with b = a/2〈1 1 0〉 originate from the 500 mN indents into the direction of the strongest temperature gradient. After 60 min at constant temperature an increase in the length and number of the dislocations in other directions is also observed. As a result of the continual thermal stressing dislocations develop from the 100 mN indents too.