Strategies for specifically directing metal functionalization of protein nanotubes: constructing protein coated silver nanowires.

Biological molecules that self-assemble in the nanoscale range are useful multifunctional materials. Rotavirus VP6 protein self-assembles into tubular structures in the absence of other rotavirus proteins. Here, we present strategies for selectively directing metal functionalization to the lumen of VP6 nanotubes. The specific in situ metal reduction in the inner surface of nanotube walls was achieved by the simple modification of a method previously reported to functionalize the nanotube outer surface. Silver nanorods and nanowires as long as 1.5 µm were formed inside the nanotubes by coalescence of nanoparticles. Such one-dimensional structures were longer than others previously obtained using bioscaffolds. The interactions between silver ions and the nanotube were simulated to understand the conditions that allowed nanowire formation. Molecular docking showed that a naturally occurring arrangement of aspartate residues enabled the stabilization of silver ions on the internal surface of the VP6 nanotubes. This is the first time that such a spatial arrangement has been proposed for the nucleation of silver nanoparticles, opening the possibility of using such an array to direct functionalization of other biomolecules. These results demonstrate the natural capabilities of VP6 nanotubes to function as a versatile biotemplate for nanomaterials.

Stable Tin (n = 2-15) clusters and their geometries: DFT calculations.

We present a detailed structural analysis for small Tin (n = 2-15) clusters based on ab initio quantum mechanical calculations of their binding energies, frontier orbital gaps, and second energy derivatives. Local density approximation calculations revealed that while the smaller clusters (n < or = 8) prefer hexagonal atomic arrays with bulklike crystal symmetry, the bigger clusters prefer pentagonal atomic arrays. From the stability criteria of the magic number clusters we could identify three magic number clusters Ti7, Ti13, and Ti15. While the most stable configuration of Ti7 is a decahedral bipyramid induced by tetrahedral atomic arrays, the most stable configuration of Ti13 is an icosahedron. The other stable cluster Ti15 takes a closed-shell icosahedron-like configuration with both pentagonal and hexagonal symmetries. The stability of the Tin clusters strongly depends on their geometries and charge states. The HOMO-LUMO gap of the Tin clusters approaches its bulk value for n > 8. While there is not much difference between the HOMO and LUMO isosurface charge distributions for the Ti7 and Ti13 clusters in their most stable configurations, they are very different in the case of Ti15. Such a distinct charge distribution in Ti15 indicates its singular chemical selectivity over the other two magic number clusters.

Synthesis and theoretical analysis of samarium nanoparticles: perspectives in nuclear medicine.

The use of lanthanides as radionuclides in nuclear medicine is well-known, because they can be used for detecting and treating cancerous tumors. Due to the fact that the doses are directly related to the number of unstable atoms involved, the possibility of obtaining controlled-size lanthanide nanoparticles opens a wide scope for their application in nuclear medicine. In this work, we report the synthesis of anew samarium nanoparticle by using the bioreduction method, where the pH conditions play an important role in the size control of the produced clusters. The nanoparticles were characterized by using an transmission electron microscope, in addition to the use of a quantum mechanical method to relate the atomic and electronic structures to the chemical selectivity, which allows us to predict a direct coordination between the DTPA-bis-biotin molecules with the samarium nanoparticles larger than 55 atoms. This work involves experimental and theoretical methods to propose a totally new application for nanotechnology in nuclear medicine.