Identification of bioactive compounds of Zanthoxylum armatum as potential inhibitor of pyruvate kinase M2 (PKM2): Computational and virtual screening approaches.

PKM2 (Pyruvate kinase M2) is the isoform of pyruvate kinase which is known to catalyse the last step of glycolysis that is responsible for energy production. This specific isoform is known to be highly expressed in certain cancerous conditions. Considering the role of this protein in various cancer conditions, we used PKM2 as a target protein to identify the potential compounds against this target. In this study, we have examined 96 compounds of Zanthoxylum armatum using an array of computational and in silico tools. The compounds were assessed for toxicity then their anticancer potential was predicted. The virtual screening was done with molecular docking followed by a detailed examination using molecular dynamics simulation. The majority of the compounds showed a higher probability of being antineoplastic. Based on toxicity, predicted anticancer potential, binding affinity, and binding site, three compounds (nevadensin, asarinin, and kaempferol) were selected as hit compounds. The binding energy of these compounds with PKM2 ranged from -7.7 to -8.3 kcal/mol and all hit compounds interact at the active site of the protein. The selected hit compounds formed a stable complex with PKM2 when simulated under physiological conditions. The dynamic analysis showed that these compounds remained attached to the active site till the completion of molecular simulation. MM-PBSA analysis showed that nevadensin exhibited a higher affinity towards PKM2 compared to asarinin and kaempferol. These compounds need to be assessed properties in vivo and in vitro to validate their efficacy.

Exploration of anode candidacy of Ni0.2Co2.8O4 and integrated Ni0.2Co2.8O4/MWCNTs in supercapacitor and oxygen evolution reaction.

In the current research work, Ni0.2Co2.8O4 and Ni0.2Co2.8/MWCNTs have been synthesized via facile sol-gel and wet impregnation method. The synthesized materials attained the crystalline structures as evident from X-ray diffraction analysis (XRD). The uniform morphology and well dispersion of Ni0.2Co2.8O4 onto MWCNTs was observed via scanning electron microscopy (SEM). The electrochemical investigations for supercapacitor application by cyclic voltammetry (CV), galvanostatic charge discharge (GCD), and electrochemical impedance spectroscopy (EIS) revealed that, among both materials, Ni0.2Co2.8O4/MWCNTs has high specific capacitance (CV; 505.8 Fg-1 at 5 mV/s, GCD; 1598 Fg-1 at 0.5 A/g), greater capacitance retention (85 %) at 1000 cycles and has lower charge transfer resistance (Rct; 3.48 Ω cm2). These findings reflected the potential candidacy of Ni0.2Co2.8O4/MWCNTs to be used as anode material in supercapacitor. Further investigations by CV and linear sweep voltammetry (LSV) for oxygen evolution reaction (OER) activity in 1.0 M KOH showed comparatively low over potential of 340 mV @100 mA/cm2 for the same integrated material. Additionally, the lower Tafel slope (47 mV/dec) and solution resistance authenticated it as an appropriate electrocatalyst for OER in water splitting. The CPE (controlled potential electrolysis) revealed the stability of both materials for OER in water oxidation.

Clinical Manifestations of Hyponatremia and Hypernatremia in Under-Five Diarrheal Children in a Diarrhea Hospital.

OBJECTIVE: To study clinical manifestations and outcome of hyponatremia and hypernatremia in children with diarrhea. METHOD: We compared children aged 0-59 months hospitalized from 1 January to 31 December 2013 with hyponatremia (serum sodium <130 mmol/l), hypernatremia (serum sodium >150 mmol/l) and normonatremia (serum sodium 135-145 mmol/l). RESULTS: The case fatality was significantly higher among the children with hypernatremia and hyponatremia than normonatremia. A logistic regression analysis adjusting for potential confounders revealed that children with hyponatremia are more likely to have convulsions, have severe acute malnutrition and be of older age compared with children with normal serum sodium. Children with hypernatremia are more likely to have convulsions and dehydration than normonatremic children (for all p < 0.05). CONCLUSION: Early diagnosis and prompt management of hypo- and hypernatremia by identifying simple clinical predicting factors of these two conditions in diarrheal children <5 years of age is critically important to prevent deaths in such children, especially in resource-limited settings.

Enhanced electrical contact of microbes using Fe(3)O(4)/CNT nanocomposite anode in mediator-less microbial fuel cell.

A novel Fe(3)O(4)/CNT nanocomposite was synthesized and employed for the modification of carbon paper anode in a mediator-less microbial fuel cell (MFC) to enhance its performance. The Fe(3)O(4)/CNT composite modified anodes with various Fe(3)O(4) contents were investigated to find the optimum ratio of the nanocomposite for the best MFC performance. The Fe(3)O(4)/CNT modified anodes produced much higher power densities than unmodified carbon anode and the 30wt% Fe3O4/CNT modified anode exhibited a maximum power density of 830mW/m(2). In the Fe(3)O(4)/CNT composite modified anode, Fe(3)O(4) helps to attach the CNT on anode surface by its magnetic attraction and forms a multi layered network, whereas CNT offers a better nanostructure environment for bacterial growth and helps electron transfer from E.coli to electrode resulting in the increase in the current production with the catalytic activity of bacteria. The electrocatalytic behavior and all possible mechanism for their better performance are discussed in detail with the help of various structural and electrochemical techniques.