Effects of Repetitive Transcranial Magnetic Stimulation on Pallidum GABAergic Neurons and Motor Function in Rat Models of Kernicterus.

Kernicterus is a serious complication of hyperbilirubinemia, caused by neuronal injury due to excessive unconjugated bilirubin (UCB) in specific brain areas. This injury induced by this accumulation in the globus pallidus can induce severe motor dysfunction. Repetitive transcranial magnetic stimulation (rTMS) has shown neuroprotective effects in various neurological diseases.

A theoretical exploration of the 1,3-dipolar cycloadditions onto the sidewalls of (n,n) armchair single-wall carbon nanotubes.

The viability of 1,3-dipolar cycloadditions of a series of 1,3-dipolar molecules (azomethine ylide, ozone, nitrone, nitrile imine, nitrile ylide, nitrile oxide, diazomethane, and methyl azide) onto the sidewalls of carbon nanotubes has been assessed theoretically by means of a two-layered ONIOM approach. The theoretical calculations predict the following: (i) other than the 18-valence-electron azomethine ylide and ozone, the 16-valence-electron nitrile ylide and nitrile imine are the best candidates for experimentalists to try; (ii) upon 1,3-dipolar cycloaddition, a 1,3-diople molecule is di-sigma-bonded to a pair of carbon atoms on the sidewall of SWNT, forming a five-membered ring surface species; (iii) the as-formed 1,3-dipole-SWNT bonding is much weaker than that in the products of the molecular 1,3-DC reactions and can be plausibly broken by heating at elevated temperatures; (iv) the sidewalls of the armchair (n,n) SWNTs (n = 5-10) are subject to the 1,3-DCs of ozone and azomethine ylides; (v) both the 1,3-DC reactivity and retro-1,3-DC reactivity are moderately dependent on the diameters of SWNTs, implying the feasibility of making use of the heterogeneous 1,3-DC chemistry to purify and separate SWNTs diameter-specifically.

Organic functionalization of the sidewalls of carbon nanotubes by diels-alder reactions: a theoretical prediction.

[structure: see text] The viability of the Diels-Alder (DA) cycloaddition of conjugated dienes onto the sidewalls of single-wall carbon nanotubes is assessed by means of a two-layered ONIOM(B3LYP/6-31G:AM1) approach. Whereas the DA reaction of 1,3-butadiene on the sidewall of an armchair (5,5) nanotube is found to be unfavorable, the cycloaddition of quinodimethane is predicted to be viable due to the aromaticity stabilization at the corresponding transition states and products.

A DFT study of the 1,3-dipolar cycloadditions on the C(100)-2 x 1 surface.

The 1,3-dipolar cycloadditions (1,3-DCs) of a series of 1,3-dipolar molecules onto the C(100)-2 x 1 surface have been investigated by means of hybrid density functional B3LYP method in combination with cluster model approach. It was found that 1,3-DCs on the C(100)-2 x 1 surface are more favorable over their molecular analogues both thermodynamically and kinetically. The enhancement of the reactivity on the surface due to the reduced overlap between the p(pi) orbitals of the surface C=C dimer should be important for the semiconductor industry because it might lead to a breakthrough in the fabrication of diamond films at low temperature.