figurine coffee armchair chair art object

We investigate the band-gap modiication by collapsing deformation in C, BN, and BC3 nanotubes through rst-principles pseudopotential calculations. Semiconductor-metal transitions occur when zigzag C and armchair BC3 nanotubes undergo collapsing deformation, while in zigzag BN tubes, a variation of band gaps from 5 to 2 eV is found. On the other hand, the band gaps of armchair BN and zigzag BC3 ...

The prediction of a protein's tertiary structure, given its amino acid sequence, is one of the intriguing problems in biophysics and computational biology. Anfinsen's thermodynamic hypothesis indicates that the tertiary structure of a protein is the minimum free-energy conformation 1. Based on Anfinsen's hypothesis, the protein structure predict-tion problem can be treated as a global optimizat...

Inflammatory breast cancer (IBC) is rare, but it is the most aggressive subtype of breast cancer. IBC has a unique presentation of diffuse tumor cell clusters called tumor emboli in the dermis of the chest wall that block lymph vessels causing a painful, erythematous, and edematous breast. Lack of effective therapeutic treatments has caused mortality rates of this cancer to reach 20%-30% in cas...

Graphene aerogel materials have attracted increasing attention owing to their large specific surface area, high conductivity and electronic interactions. Here, we report for the first time a novel strategy for the synthesis of nitrogen-doped activated graphene aerogel/gold nanoparticles (N-doped AGA/GNs). First, the mixture of graphite oxide, 2,4,6-trihydroxybenzaldehyde, urea and potassium hyd...

Graphene nanoribbon (GNR) with free edges can exhibit non-flat morphologies due to preexisting edge stress. Using molecular dynamics (MD) simulations, we investigate the freeedge effect on the shape transition in GNRs with different edge types, including regular (armchair and zigzag), armchair terminated with hydrogen and reconstructed armchair. The results show that initial edge stress and ene...

Phosphorene has been rediscovered recently, establishing itself as one of the most promising two-dimensional group-V elemental monolayers with direct band gap, high carrier mobility, and anisotropic electronic properties. In this paper, surface buckling and its effect on its electronic properties are investigated by using molecular dynamics simulations together with density functional theory ca...

Equilibrium molecular dynamics simulations show that graphene nanoribbons (GNRs) with zigzag edges have higher thermal conductivity (j) than armchair-edged ones, and the difference diminishes with increasing temperature or ribbon width. The dominant phonon wavelength for thermal transport can be much longer (by orders of magnitude) than the difference between the “roughness” of smooth zigzag an...

BACKGROUND Mucopolysaccharidosis type IIID (MPS-IIID), or Sanfilippo syndrome type D, is a rare autosomal recessive lysosomal storage disorder caused by mutations in the N-acetylglucosamine-6-sulfatase (GNS) gene, leading to impaired degradation of heparan sulfate. OBJECTIVES To report the natural history of MPS-IIID in 2 siblings described by Kaplan and Wolfe in 1987 and to study the phenoty...

This study was carried out at Federal Polytechnic; Ado Ekiti in state on geochemical appraisal of three different genetically derived lateritic soils from south western Nigeria and their respective engineering performance 2019. Twelve (12) disturbed soil samples were collected granite (GDS), gneiss (GNS) migmatite (MGS) rock terrains. These four horizons 0.5m intervals, resulting into a maximum...