Hydrogen storage in C3Ti complex using quantum chemical methods and molecular dynamics simulations

The hydrogen storage capacity of C(3)Ti and C(3)Ti(+) complex was studied using second order M?ller-Plesset (MP2) and density functional theory (DFT) methods with different exchange and correlation functionals. Four and five H(2) molecules can be adsorbed on C(3)Ti and C(3)Ti(+) complex respectively at all the levels of theory used. This corresponds to the gravimetric H(2) uptake capacity of 8.77 and 10.73 wt % for the former and the latter respectively. The nature of interactions between different molecules in H(2) adsorbed complexes is also studied using many-body analysis approach. In the case of C(3)Ti(4H(2)) complex, total five-body interactions is negligible whereas for C(3)Ti(+)(5H(2)) relaxation energy is negligible. All the many-body energies have significant contribution to the binding energy of a respective complex. Atom-centered density matrix propagation molecular dynamics simulations were carried out using different methods to confirm whether H(2) molecules remain adsorbed on C(3)Ti and C(3)Ti(+) complex at room temperature. Adsorption Gibbs free energies show that four and five H(2) molecule adsorption on C(3)Ti and C(3)Ti(+) at room temperature is energetically favorable and unfavorable respectively using MP2 as well as DFT methods used here. H(2) adsorption is thermodynamically favorable over a wide range of temperature on the C(3)Ti than C(3)Ti(+)complex.     

Tonic activity of Galpha-gustducin regulates taste cell responsivity

The taste-selective G protein, α-gustducin (α-gus) is homologous to α-transducin and activates phosphodiesterase (PDE) in vitro. α-Gus-knockout mice are compromized to bitter, sweet and umami taste stimuli, suggesting a central role in taste transduction. Here, we suggest a different role for Gα-gus. In taste buds of α-gus-knockout mice, basal (unstimulated) cAMP levels are high compared to those of wild-type mice. Further, H-89, a cAMP-dependent protein kinase inhibitor, dramatically unmasks responses to the bitter tastant denatonium in gus-lineage cells of knockout mice. We propose that an important role of α-gus is to maintain cAMP levels tonically low to ensure adequate Ca²⁺ signaling.     

Changes in haemolymph constituents of American bollworm, Helicoverpa armigera (Hübner), infected with nucleopolyhedrovirus

Six types of haemocytes viz., prohaemocytes, plasmatocytes (round, fusiform, vermiform and spindle shaped), granular cells, spherule cells, oenocytoids and adipohaemocytes were found in the haemolymph of larvae of American bollworm H. armigera. The total and differential haemocyte counts (THC and DHC) in H. armigera haemolymph were affected by nucleopolyhedrovirus (NPV) treatment. There was a general decrease in THC in response to NPV treatment in both young and old larvae. However the decrease was more apparent in 5 and 8 day old larvae than in 10 day old larvae. The differential haemocytes showed less of granular cells and more of spherule cells and prohaemocytes in the old larvae. Plasmatocytes and granular cells in 10 day old larvae initially phagocytosed polyhedra; however, disintegrated after 3 to 4 hr. The haemolymph of NPV treated larvae melanized slowly particularly in old larvae. Phenoloxidase (PO) activity decreased positively with granular cells and oenocytoids in 10 day old treated larvae. Cellular fraction had high level of PO activity, which was transferred to plasma in response to NPV infection in the older larvae. The role of NPV pathogenesis vis-à-vis immunity in insect is discussed.     

Binary neural network training algorithms based on linear sequential learning

A key problem in Binary Neural Network learning is to decide bigger linear separable subsets. In this paper we prove some lemmas about linear separability. Based on these lemmas, we propose Multi-Core Learning (MCL) and Multi-Core Expand-and-Truncate Learning (MCETL) algorithms to construct Binary Neural Networks. We conclude that MCL and MCETL simplify the equations to compute weights and thresholds, and they result in the construction of simpler hidden layer. Examples are given to demonstrate these conclusions.     

Anaerobic decolorisation of simulated textile wastewater containing azo dyes

The effects of the addition of powered particles of kaolin to nitrifying activated sludge systems were studied. Kaolin was added to a nitrifying activated sludge reactor, during the operational phase, to observe the effects of this clay on reactor performance. The results were compared to those obtained from a similar unit operated without kaolin. The settling properties of the sludges from both units were similar (sludge volume index (SVI) of 14.5 ml/g VSS; zone settling velocity (ZSV) of 7.5 m/h), but the specific nitrifying activities of ammonia and nitrite oxidizing processes were enhanced up to 75% and 50%, respectively, when kaolin was added. The mechanism of action of kaolin was not clear. Additional ammonia, nitrite and nitrate adsorption tests showed that these compounds were not adsorbed by kaolin. This demonstrated that no beneficial effect was caused by adsorption of either substrates or products. Short-term activity tests also showed that the stimulating effects of kaolin on specific activity were not immediate. The effects of kaolin when nitrifying units were operated under unfavorable conditions were also evaluated: In a second set of experiments, a nitrifying unit was operated with low levels of dissolved oxygen (DO), with and without kaolin. The presence of kaolin exerted practically no effect on ammonia oxidation but nitrite oxidation slightly diminished. In a third set of experiments, a nitrifying unit was subjected to pH shocks (9, 10 and 11) over 3 h with pH then restored to 7.8. A pH shock of 11 caused a decrease of 60% in nitrifying activity for 12 days. When kaolin was added to this unit the efficiency of the system was completely restored in 4 days. Therefore, kaolin might be useful to restore damaged units.     

Ndfip Proteins Target Robo Receptors for Degradation and Allow Commissural Axons to Cross the Midline in the Developing Spinal Cord

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DJ-1 deficiency alleviates steatosis in cultured hepatocytes

Imbalance in lipid metabolism within hepatocytes can lead to hepatosteatosis, which is a cause of numerous hepatic dysfunctions. Previous studies have demonstrated the roles of DJ-1 in Parkinson’s disease, diet-induced oxidative stress, obesity, and diabetes. Although recent studies have shown that DJ-1 is involved in metabolic complications, the roles of DJ-1 in steatosis are largely unknown. Therefore, the aim of the current study was to elucidate the potential roles of DJ-1 in hepatosteatosis in vitro. Normal rat liver cells Clone 9 (C9) were treated with 1 mM oleic acid (OA) for 24 h for establishment of a steatosis model, after which various biochemical parameters, including triglyceride, total cholesterol, and free fatty acid contents, were determined after knockdown with Dj1- specific siRNA. Silencing of Dj1 prevented hepatic steatosis by suppressing expression of hepatic lipogenic markers, which was confirmed by immunoblotting and real-time PCR analysis. Up-regulation of mitochondrial and β- oxidation-associated proteins showed potential to reduce fat accumulation in the liver. Silencing of Dj1 resulted in alleviation of steatosis by reducing lipogenesis and improving mitochondrial biogenesis. Further in vivo studies will be required to understand the molecular mechanism behind the role of DJ-1 in steatosis.     

Enhanced ethanol fermentation of brewery wastewater using the genetically modified strain <Emphasis Type="Italic">E. coli </Emphasis>KO11

We have used liquid waste obtained from a beer brewery process to produce ethanol. To increase the productivity, genetically modified organism, Escherichia coli KO11, was used for ethanol fermentation. Yeast was also used to produce ethanol from the same feed stock, and the ethanol production rates and resulting concentrations of sugars and ethanol were compared with those of KO11. In the experiments, first the raw wastewater was directly fermented using two strains with no saccharification enzymes added. Then, commercial enzymes, α-amylase, pectinase, or a combination of both, were used for simultaneous saccharification and fermentation, and the results were compared with those of the no-enzyme experiments for KO11 and yeast. Under the given conditions with or without the enzymes, yeast produced ethanol more rapidly than E. coli KO11, but the final ethanol concentrations were almost the same. For both yeast and KO11, the enzymes were observed to enhance the ethanol yields by 61–84% as compared to the fermentation without enzymes. The combination of the two enzymes increased ethanol production the most for the both strains. The advantages of using KO11 were not demonstrated clearly as compared to the yeast fermentation results.     

The Sm protein methyltransferase PRMT5 is not required for primordial germ cell specification in mice

PRMT5 is a type II protein arginine methyltransferase with roles in stem cell biology, reprograming, cancer and neurogenesis. During embryogenesis in the mouse, it was hypothesized that PRMT5 functions with the master germline determinant BLIMP1 to promote primordial germ cell (PGC) specification. Using a Blimp1‐Cre germline conditional knockout, we discovered that Prmt5 has no major role in murine germline specification, or the first global epigenetic reprograming event involving depletion of cytosine methylation from DNA and histone H3 lysine 9 dimethylation from chromatin. Instead, we discovered that PRMT5 functions at the conclusion of PGC reprograming I to promote proliferation, survival and expression of the gonadal germline program as marked by MVH. We show that PRMT5 regulates gene expression by promoting methylation of the Sm spliceosomal proteins and significantly altering the spliced repertoire of RNAs in mammalian embryonic cells and primordial cells.     

Steric Considerations on Improving the Diastereomeric Ratio of (+)‐ and (−)‐Neomenthyl Phenyl Sulfoxides Using Bulky‐Headed Oxidant Hexadecyltrimethylammonium Periodate and Assignment of Their Configuration

The bulky‐headed oxidant hexadecyltrimethylammonium periodate affords the diastereomeric pairs, (Ss)‐(+)/(Rs)‐(+) and (Ss)‐(?)/(Rs)‐(?)‐neomenthyl phenyl sulfoxides in stereochemically pure states with improved diastereomeric excess (48% diastereomeric excess [de]) as compared to its nonbulky counterpart, sodium metaperiodate (28% de) from respective (+)/(?)‐neomenthyl phenyl sulfides. Steric effects involving the head group volume of hexadecyltrimethylammonium periodate is found to play a role in improving the diastereomeric ratio of the products. The two diastereomers can be readily separated by column chromatography. Absolute configuration at the sulfur center in (+)‐neomenthyl phenyl sulfoxide was determined by single‐crystal X‐ray crystallography and found to be Ss. Relative configurations of other sulfoxides were assigned based on the configuration of (+)‐neomenthyl phenyl sulfoxide. Chirality 27:370–374, 2015. © 2015 Wiley Periodicals, Inc.