Torsional Potential Energy Surfaces of Dinitrobenzene Isomers

The torsional potential energy surfaces of 1,2-dinitrobenzene, 1,3-dinitrobenzene, and 1,4-dinitrobenzene were calculated using the B3LYP functional with 6-31G(d) basis sets. Three-dimensional energy surfaces were created, allowing each of the two C-N bonds to rotate through 64 positions. Dinitrobenzene was chosen for the study because each of the three different isomers has widely varying steric hindrances and bond hybridization, which affect the energy of each conformation of the isomers as the nitro functional groups rotate. The accuracy of the method is determined by comparison with previous theoretical and experimental results. The surfaces provide valuable insight into the mechanics of conjugated molecules. The computation of potential energy surfaces has powerful application in modeling molecular structures, making the determination of the lowest energy conformations of complex molecules far more computationally accessible

Effect of Induced Spin-Orbit Coupling for Atoms via Laser Fields

We propose an experimental scheme to study spin-orbit coupling effects in a of two-dimensional (2D) Fermi atomic gas cloud by coupling its internal electronic states (pseudospins) to radiation in a delta configuration. The induced spin-orbit coupling can be of the Dresselhaus and Rashba type with and without a Zeeman term. We show that the optically induced spin-orbit coupling can lead to a spin-dependent effective mass under appropriate condition, with one of them able to be tuned between positive and negative effective mass. As a direct observable we show that in the expansion dynamics of the atomic cloud the initial atomic cloud splits into two clouds for the positive effective mass case regime, and into four clouds for the negative effective mass regime.Comment: 4 pages, 3 figure

Transport in Graphene: Ballistic or Diffusive?

We investigate the transport of electrons in disordered and pristine graphene devices. Fano shot noise, a standard metric to assess the mechanism for electronic transport in mesoscopic devices, has been shown to produce almost the same magnitude ($\approx 1/3$) in ballistic and diffusive graphene devices and is therefore of limited applicability. We consider a two-terminal geometry where the graphene flake is contacted by narrow metallic leads. We propose that the dependence of the conductance on the position of one of the leads, a conductance profile, can give us insight into the charge flow, which can in turn be used to analyze the transport mechanism. Moreover, we simulate scanning probe microscopy (SPM) measurements for the same devices, which can visualize the flow of charge inside the device, thus complementing the transport calculations. From our simulations, we find that both the conductance profile and SPM measurements are excellent tools to assess the transport mechanism differentiating ballistic and diffusive graphene systems.Comment: 11 pages, 7 figures. Renamed by editorial staff as "Ballistic versus diffusive transport in graphene

Absence of skew scattering in two-dimensional systems: Testing the origins of the anomalous Hall effect

We study the anomalous Hall conductivity in spin-polarized, asymmetrically confined two-dimensional electron and hole systems, focusing on skew-scattering contributions to the transport. We find that the skew scattering, principally responsible for the extrinsic contribution to the anomalous Hall effect, vanishes for the two-dimensional electron system if both chiral Rashba subbands are partially occupied, and vanishes always for the two-dimensional hole gas studied here, regardless of the band filling. Our prediction can be tested with the proposed coplanar two-dimensional electron/hole gas device and can be used as a benchmark to understand the crossover from the intrisic to the extrinsic anomalous Hall effect.Comment: 4 pages, 2 figures include

Husimi Maps in Lattices

We build upon previous work that used coherent states as a measurement of the local phase space and extended the flux operator by adapting the Husimi projection to produce a vector field called the Husimi map. In this article, we extend its definition from continuous systems to lattices. This requires making several adjustments to incorporate effects such as group velocity and multiple bands. Several phenomena which uniquely occur in lattice systems, like group-velocity warping and internal Bragg diffraction, are explained and demonstrated using Husimi maps. We also show that scattering points between bands and valleys can be identified in the divergence of the Husimi map

Anomalous Hall effect in a two-dimensional electron gas

The anomalous Hall effect in a magnetic two-dimensional electron gas with Rashba spin-orbit coupling is studied within the Kubo-Streda formalism in the presence of pointlike potential impurities. We find that all contributions to the anomalous Hall conductivity vanish to leading order in disorder strength when both chiral subbands are occupied. In the situation that only the majority subband is occupied, all terms are finite in the weak scattering limit and the total anomalous Hall conductivity is dominated by skew scattering. We compare our results to previous treatments and resolve some of the discrepancies present in the literature.Comment: 11 pages, 5 figure

High prevalence of autoantibodies to RNA helicase A in Mexican patients with systemic lupus erythematosus

Introduction: Autoantibodies to RNA helicase A (RHA) were reported as a new serological marker of systemic lupus erythematosus (SLE) associated with early stage of the disease. Anti-RHA and other autoantibodies in Mexican SLE patients and their correlation with clinical and immunological features were examined.Methods: Autoantibodies in sera from 62 Mexican SLE patients were tested by immunoprecipitation of 35S-labeled K562 cell extract and enzyme-linked immunosorbent assay (anti-U1RNP/Sm, ribosomal P, ?2GPI, and dsDNA). Anti-RHA was screened based on the immunoprecipitation of the 140-kDa protein, the identity of which was verified by Western blot using rabbit anti-RHA serum. Clinical and immunological characteristics of anti-RHA-positive patients were analyzed.Results: Anti-RHA was detected in 23% (14/62) of patients, a prevalence higher than that of anti-Sm (13%, 8/62). Prevalence and levels of various autoantibodies were not clearly different between anti-RHA (+) vs. (-) cases, although there was a trend of higher levels of anti-RHA antibodies in patients without anti-U1RNP/Sm (P = 0.07). Both anti-RHA and -Sm were common in cases within one year of diagnosis; however, the prevalence and levels of anti-RHA in patients years after diagnosis did not reduce dramatically, unlike a previous report in American patients. This suggests that the high prevalence of anti-RHA in Mexican patients may be due to relatively stable production of anti-RHA.Conclusions: Anti-RHA was detected at high prevalence in Mexican SLE patients. Detection of anti-RHA in races in which anti-Sm is not common should be clinically useful. Racial difference in the clinical significance of anti-RHA should be clarified in future studies. � 2010 V�zques-Del Mercado et al; licensee BioMed Central Ltd