Comparative modeling of improved synthesis of energetic dinitrobenzofuroxan (DNBF) derivatives.

Quantum chemical theoretical computation was performed on gaseous molecular reaction systems to simulate parallel synthesis of energetic primary explosive precursor 4,6-dinitrobenzofuroxan (4,6-DNBF) and its isomeric derivatives. Related polarized continuum model (PCM) and Materials Studio (MS/forcite) energies were collected via kinetic rate and thermodynamic equilibrium analyses, enabling comparison of and suggestions as to suitable reaction conditions (reaction temperature, reagent concentration, mixed acid ratio) together with feasible pathways to obtain a high production yield of the research target. In summary, at a low reaction temperature of 278 K, 1.

Wave properties in asymmetric single-negative-base photonic crystals.

We theoretically study wave properties for one-dimensional defective asymmetric photonic crystals, air/(AB)G(BA)/air, air/(AQ)G(QA)/air, and air/(BQ)G(QB)/air, where A is a lossy epsilon-negative material, B is a lossy mu-negative material, G and Q are dielectrics with different refractive indexes, and M and N are stack numbers with M≠N. Special attention has been paid to their absorption spectra. It is found that at certain frequencies the absorption can exhibit unidirectional properties.

White matter tract integrity of frontostriatal circuit in attention deficit hyperactivity disorder: association with attention performance and symptoms.

The frontostriatal circuit has been postulated to account for the core symptoms such as inattention in attention deficit/hyperactivity disorder (ADHD). This study investigated the white matter integrity of frontostriatal fiber tracts using diffusion spectrum imaging (DSI) tractography and its correlations with measures of multi-dimensional aspects of inattention based on psychiatric interview and attention tasks in 25 children with ADHD and 25 matched typically developing (TD) children. All the subjects were assessed with comprehensive psychiatric interviews and the Conner's Continuous Performance Test (CCPT).