Investigation of photocatalytic behavior of modified ZnS:Mn/MWCNTs nanocomposite for organic pollutants effective photodegradation.

In this research, zinc sulfide (ZnS) doped with manganese (Mn) is synthesized on functionalized multiwall carbon nanotubes (MWCNTs) nanocomposite by a facile co-precipitation method as the photocatalysis. Due to the excellent electrical and optical characteristics of ZnS:Mn/MWCNTs nanocomposite, it is worth to investigate its photodegradation activity. To investigate the photocatalytic degradation properties of organic pollutants, the synthesis conditions were optimized in the presence of four substances: COOH, ethylene glycol, sodium dodecyl sulfate, and polyvinyl-pyrrolidone. Surface studies of the photocatalyst, i.e., structural, morphological, optical and physical properties, were characterized by FTIR, PL, XRD, SEM, and TEM analyses. The results showed that Mn ions decreased the band gap energy of the nanocomposites and there was excellent adhesion between ZnS and MWCNTs in the synthesized composite. According to the results, MWCNTs effectively increased the photocatalytic activity of the ZnS nanoparticles by the electron-hole pair recombination of ZnS and MWCNTs, and the composites with the carboxylic functional group showed greater photocatalytic activity. In addition, the kinetic studies showed that the photocatalytic process obeyed the pseudo-first-order kinetic model. To determine the exact mathematical formula of the photocatalysis, response surface methodology was modeled by the central composite design method. Various parameters, such as the time of the treatment process and initial concentration of the pollutants were studied for a quadratic model that fit all the cases well and their mathematical models were obtained.

Pros and cons of direct genotyping on tuberculosis clinical samples.

OBJECTIVE: Prompt genotyping of Mycobacterium tuberculosis (M. tuberculosis) is crucial for improving molecular epidemiological investigation of tuberculosis (TB). METHODS: We performed a retrospective study to evaluate the use of 24 loci MIRU-VNTR (mycobacterial interspersed repetitive unit-variable number of tandem-repeat) directly on 135 clinical samples from 84 TB patients. RESULTS: There was a direct correlation between genotyping on clinical samples by MIRU-VNTR and bacterial load (P = 0.001). VNTR loci were amplified successfully for 41.5% of the clinical samples (19-24 loci), 32.6% (13-18 loci), 23.7% (7-12 loci) and 2.2% (1-6 loci). Loci of 2401, 577, 2996 and 154 had the highest power to show the mixed strains infection in clinical samples. CONCLUSIONS: Direct MIRU-VNTR is partially successful in complete genotyping of M. tuberculosis strains. On the other hand, detection of polyclonal infection is undoubtedly reliable based on the direct MIRU-VNTR.

In silico investigation of new binding pocket for mitogen activated kinase kinase (MEK): Development of new promising inhibitors.

It has been previously shown that the inhibition of mitogen activated protein kinase kinase (MEK) contributes to apoptosis and suppression of different cancer cells. Correspondingly, a number of MEK1/2 inhibitors have been designed and evaluated since 2001. However, they did not satisfy essential pharmacokinetic (PK) and pharmacodynamic (PD) properties thus, almost most of them were terminated in pre-clinical or clinical studies. This study aims to design new specific MEK1/2 inhibitors with improved PK/PD profiles to be used as alternative cancer medications. In first part of this study, a comprehensive screening, for the first time, was done on well-known MEK1/2 inhibitors using a number of computational programs such as AutoDock Tools 4.2 (ADT) and AutoDock Vina. Therefore a valuable training dataset as well as a reliable pharmacophore model were provided which were then used to design new inhibitors. According to the results of training dataset, Trametinib was determined as the best inhibitor provided, so far. So, Trametinib was used as the lead structure to design new inhibitors in this study. In second part of this investigation, a set of new allosteric MEK1/2 inhibitors were designed significantly improving the binding energy as well as the ADMET properties, suggesting more specific and stable ligand-receptor complexes. Consequently, the structures 14 and 15 of our inhibitors, as the most potent structures, are great substituents for Trametinib to be used and evaluated in clinical trials as alternative cancer drugs.