Structural characterisation and photoluminescence of a pyridine–diimine compound

A pyridine–diimine compound N,N′-[pyridine-2,6-diyldi(E)methylylidene]bis(4-chloroaniline) is synthesised by a Schiff base condensation of 2,6-diformylpyridine with 4-chloroaniline in methanol and characterised by spectroscopic and analytical techniques. The molecular structure of the compound is determined by the single crystal X-ray diffraction study. The compound crystallizes in the monoclinic crystal system, I2/c space group with unit cell parameters a = 7.0843(12) Å, b = 6.1909(11) Å, c = 36.262(6) Å, β = 91.576(3)°, V = 1589.8(5) ų and Z = 4. There is an intermolecular hydrogen bonding in the molecule resulting in a 1D hydrogen bonding chain and these hydrogen bonding chains are linked by Cl…HC(aromatic) interactions forming a 2D network. Crystal packing of the compound is determined by Cl…HC and π–π interactions. In the fluorescence emission spectra in CH₃CN, DMF, DMSO and EtOH, the compound shows only one emission maximum.     

1,7-difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane: Crystal structure and sensitivity to mechanical actions

The X-ray crystallographic analysis of 1,7-difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane has been carried out. We have also determined its sensitivity to mechanical actions and a set of calculated and experimental data on explosion characteristics.     

The role of induced current density in Steroelectronic effects: Perlin effect

The normal and reverse Perlin effect is usually explained by the redistribution of electron density produced by hyperconjugative mechanisms, which increases the electron population within axial or equatorial proton in normal or reverse effect, respectively. Here an alternative explanation for the Perlin effect is presented on the basis of the topology of the induced current density, which directly determines the nuclear magnetic shielding. Current densities around the C? H bond critical point and intra‐atomic and interatomic contributions to the magnetic shielding explain the observed Perlin effect. The balance between intra‐atomic and interatomic contributions determines the difference in the total atomic shielding. Normal Perlin effect is dominated by intra‐atomic part, whereas reverse effect is dominated by interatomic contribution. © 2015 Wiley Periodicals, Inc.     

Molecular characterization and first report of Cryptosporidium genotypes in human population in the Slovak Republic

In our study, we examined 91 fecal samples from five different groups of people containing HIV patients, hemodialysis patients, kidney transplant recipients, immunocompetent humans without clinical signs, and humans with suspected cryptosporidiosis. The purpose of our study was to determine species and genotype composition of representatives of Cryptosporidium spp. using PCR analysis of small subunit ribosomal RNA gene and 60‐kDa glycoprotein gene and examine their phylogenetic relationship. In HIV‐positive/AIDS‐infected group of patients and in hemodialysis patients, no presence of Cryptosporidium species was detected. In two kidney transplant recipients, we detected species/genotypes Cryptosporidium parvum IIaA13G1T1R1 (KT355488) and Cryptosporidium hominis IaA11G2R8 (KT355489) and in two immunocompetent patients with clinical symptoms, we identified Cryptosporidium muris and C. hominis IbA10G2T1 (KT355490). In the group of healthy immunocompetent individuals without clinical signs, we identified species/genotype C. hominis IbA11G2 (KT355491) in one sample.