the fullerene structures of c20cage and bowl,c20h10 and their n-doped structures as c20cage nh,c20bowl nh, c20h10nh, c20h10n and their isomers are optimized using the mpw1pw91/6-31g level of the theory. magnetic shielding tensors of 14n and 13c atoms are calculated by the same level of the theory. results show that doping an n atom on fullerenes affects differently on the chemical shielding of ...

Abstract: The opteoelectronical properties of B12N12 nano-cage was investigated in thepresent of some metals by density functional theory (DFT). After the adsorption of atoxic molecule with all complexes, the electronic properties in B11GeN12 nano-cagewere significantly increased. The UV-Vis adsorption and Infrared spectroscopy ofcyanogen chloride over the B11GeN12 have ...

ABSTRACT The main objective of this work is to investigate the adsorption of Pyrrole 2-carboxylic acid (PCA) from O, N and C sites on the surface of pristine and Ni doped B12N12 nano cage by using density functional theory (DFT). The results of adsorption energy indicate that the adsorption of PCA on the surface of B12N12 and NiB11N12 is exoth...

The present study was aimed at evaluating the fluorescence property, sporicidal potency against Bacillus and Clostridium endospores, and surface disinfecting ability of biogenic nano silver. The nano silver was synthesized using an actinobacterial cell-filtrate. The fluorescence property as well as imaging facilitator potency of this nano silver was verified adopting spectrofluorometer along wi...

The structural properties of the uranium-encapsulated nano-cage U@Au14 are predicted using density functional theory. The presence of the uranium atom makes the Au14 structure more stable than the empty Au14-cage, with a triplet ground electronic state for U@Au14. Analysis of the electronic structure shows that the two frontier single-occupied molecular orbital electrons of U@Au14 mainly origin...

GroEL and GroES form a chaperonin nano-cage for proteins up to approximately 60 kDa to fold in isolation. Here we explored the structural features of the chaperonin cage critical for rapid folding of encapsulated substrates. Modulating the volume of the GroEL central cavity affected folding speed in accordance with confinement theory. Small proteins (approximately 30 kDa) folded more rapidly as...

[Abstract] In order to fabricate new dye-sensitised solar cell, we proposed a new photoresponsive electrode structure using bio nano process. Carbon nanotube-TiO2 hybrid materials having multitudious nano-sclae cavities were realized using a bifunctional cage-shaped protein possessing carbonaceous material-binding peptides and Ti-binding peptides. The obtained structure was confirmed to consist...

ABSRACT Nanoparticle arrays biologically derived from an electrochemicallycontrolled site-specific biomineralization were fabricated on a gold substrate through the immobilization process of biomolecules. The work reported herein includes the immobilization of ferritin with various surface modifications, the electrochemical biomineralization of ferritins with different inorganic cores, the fabr...