In this study, B12N12 Nano ring has been selected because it consist of four 6-side rings and polar bonds B-N which in comparison with non-polar bonds C-C, is more suitable for the study of the absorption of other compounds. So reactivity and stability of Benzene alone and in the presence B12N12 nano ring field checked. To determine the non-bonded interaction energies between Benzene and B12N12...

Organometallic complexes formed by transition metals clusters and benzene molecules have already been synthesized, and in selected cases display magnetic properties controlled by external magnetic fields. We herein investigate NinBzn complexes made of nickel atoms surrounded by benzene molecules and focus specifically on magnetic Ni3Bz3 molecule. By means of calculations including relativistic ...

ABSTRACT We present a hybrid CCSD(T) + PBE-D3 approach to calculating the vibrational signatures for gas-phase benzene and adsorbed on an ordered water ice surface. compare results of our method against experimentally recorded spectra calculations performed using PBE-D3-only approaches (harmonic anharmonic). Calculations use proton XIh surface consisting 288 molecules, are compared experimental...

The hematotoxicity of benzene is mediated by reactive benzene metabolites and possibly by other intermediates including reactive oxygen species. We previously hypothesized that ring-opened metabolites may significantly contribute to benzene hematotoxicity. Consistent with this hypothesis, our studies initially demonstrated that benzene is metabolized in vitro to trans-trans-muconaldehyde (MUC),...

Benzene, a common industrial chemical and a component of gasoline, is radiomimetic and exposure may lead progressively to aplastic anaemia, leukaemia, and multiple myeloma. Although benzene has been shown to cause many types of genetic damage, it has consistently been classified as a non-mutagen in the Ames test, possibly because of the inadequacy of the S9 microsomal activation system. The met...

Ni catalysts supported on Nano porous catalysts were prepared by the impregnation method and tested for vapor phase hydrogenation of benzene. The textural and physico-chemical properties of Ni catalysts were characterized by the X-ray diffraction, Fourier-transform infrared spectroscopy, scanning electron microscope and N2 adsorption-desorption analysis. The catalytic evaluation reve...

Pervaporation (PV) is a well-established membrane technique used in separation; especially dehydration of organic solvents. Along with other parameters such as permeate pressure and feed temperature; feed composition is an important parameter, which affects separation characteristics and membrane performance in pervaporation. In this paper, the separation characteristics of a hydrophilic polyvi...

Although the mechanisms underlying benzene-induced toxicity and leukemogenicity are not yet fully understood, they are likely to be complicated by various pathways, including those of metabolism, growth factor regulation, oxidative stress, DNA damage, cell cycle regulation, and programmed cell death. With this as a background, we performed cDNA microarray analyses on mouse bone marrow tissue du...

INTRODUCTION Benzene is an established human haematotoxin, with substantial interindividual variation in benzene-induced toxicity. METHODS To further examine if genetic variation contributes to benzene haematotoxicity, we analysed 1023 tagSNPs in 121 gene regions important for benzene metabolism, haematopoiesis, leukaemia and lymphoma among 250 workers exposed to benzene and 140 unexposed con...