Quantum chemical investigation of the intra- and intermolecular proton transfer reactions and hydrogen bonding interactions in 4-amino-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione

The intramolecular thione-thiol tautomerism and intermolecular double proton transfer reaction of the hydrogen-bonded thione and thiol dimers in the title triazole compound were studied at the B3LYP level of theory using 6?311++G(d,p) basis function. The influence of the solvent on the single and double proton transfer reactions was examined in three solvents (chloroform, methanol and water) using the polarizable continuum model (PCM) approximation. The computational results show that the thione tautomer is the most stable isomer with a very high tautomeric energy barrier both in the gas phase and in solution phase, indicating a quite disfavored process. The solvent effect is found to be sizable with increasing polarity. In the double proton transfer reaction, the thione dimer is found to be more stable than thiol dimer both in the gas phase and in solution phase. The energetic and thermodynamic parameters of the double proton transfer process show that the double proton exchange from thione dimer to thiol dimer is thermodynamically unfavored. However, the exchange from thiol dimer to thione dimer for the gas phase and water phase seems to be feasible with a low barrier height and with a negative value in enthalpy and free energy changes. In addition, the hydrogen bonding interactions were analyzed in the gas phase regarding their geometries and energies. It is found that all complex formations are enthalpically favored, and the stability of the H-bonds comes in the order of S1—H2···N2 > N2—H2···S1 > N3—H3B···O1. Finally, non-linear optical properties were carried out at the same calculation level in the gas phase.

Electricity generation from young landfill leachate in a microbial fuel cell with a new electrode material

This study aims at evaluating the performance of a two-chambered continuously fed microbial fuel cell with new Ti–TiO₂ electrodes for bioelectricity generation from young landfill leachate at varying strength of wastewater (1–50 COD g/L) and hydraulic retention time (HRT, 0.25–2 days). The COD removal efficiency in the MFC increased with time and reached 45 % at full-strength leachate (50 g/L COD) feeding. The current generation increased with increasing leachate strength and decreasing HRT up to organic loading rate of 100 g COD/L/day. The maximum current density throughout the study was 11 A/m² at HRT of 0.5 day and organic loading rate of 67 g COD/L/day. Coulombic efficiency (CE) decreased from 57 % at feed COD concentration of 1 g/L to less than 1 % when feed COD concentration was 50 g/L. Increase in OLR resulted in increase in power output but decrease in CE.     

Biodiversity of benthic invertebrates and bioprospecting in Icelandic waters

Iceland is an island in the North Atlantic Ocean, with an exclusive economic zone of 200 nautical miles that is largely unexplored with respect to chemical constituents of the marine biota. Iceland is a geothermally active area and hosts both hot and cold adapted organisms on land and in the ocean around it. In particular, the confluence of cold and warm water masses and geothermal activity creates a unique marine environment that has not been evaluated for the potential of marine natural product diversity. Marine organisms need to protect themselves from other organisms trying to overgrow, and some need to secure their place on the bottom of the ocean. Unexplored and unique areas such as the hydrothermal vent site at the sea floor in Eyjafjordur are of particular interest. In 1992 a collaborative research programme on collecting and identifying benthic invertebrates around Iceland (BIOICE) was established, with participation of Icelandic and foreign institutes, universities and taxonomists on benthic invertebrates from all over the world. Since the programme started almost 2,000 species have been identified and of those 41 species are new to science. Our recent bioprospecting project is directed towards the first systematic investigation of the marine natural product diversity of benthic invertebrates occurring in Icelandic waters, and their potential for drug-lead discovery in several key therapeutic areas.     

Decrease of theta response in euthymic bipolar patients during an oddball paradigm

Theta oscillations are related to cognitive functions and reflect functional integration of frontal and medial temporal structures into coherent neurocognitive networks. This study assessed event-related theta oscillations in medication-free, euthymic patients with bipolar disorder upon auditory oddball paradigm. Twenty-two DSM-IV euthymic bipolar I (n = 19) and II (n = 3) patients and twenty-two healthy subjects were included. Patients were euthymic for at least 6 months, and psychotropic-free for at least 2 weeks. EEG was recorded at 30 electrode sites. Auditory oddball paradigm and sensory stimuli were used. Event-related Oscillations were analyzed using adaptive filtering in two different theta frequency bands (4–6 Hz, 6–8 Hz). In healthy subjects, slow theta (4–6 Hz) responses were significantly higher than those of euthymic patients upon target, non-target and sensory stimuli (p < 0.05). Fast theta (6–8 Hz) responses of healthy subjects were significantly higher than those of euthymic patients upon target-only stimuli (p < 0.05). Reduced theta oscillations during auditory processing provide strong quantitative evidence of activation deficits in related networks in bipolar disorder. Fast theta responses are related to cognitive functions, whereas slow theta responses are related to sensory processes more than cognitive processes.     

An initial survey on the occurrence of staphylococcal infections in Turkish marine aquaculture (2013–1014)

A tentative survey on selected marine fish farms was undertaken to delineate the extent to which infections with Staphylococcus species occur in Turkish aquaculture systems. To determine the presence and the distribution of fish pathogenic staphylococci, representative farm types such as marine cages as well as inland pond farms working with saline-ground water and a large hatchery were selected. Field sampling was performed in a total of 13 commercial fish farms that are located in the most-popular aquaculture sites of Turkey. Samples were taken between October 2013 and August 2014. Almost all size classes of the most commonly marine cultured fish species in Turkey were investigated, including Dicentrarchus labrax, Sparus aurata, Argyrosomus regius, Diplodus puntazzo, Dentex dentex, Onchorhynchus mykiss and Salmo labrax. After a visual check, specimens with various clinical signs were sampled for bacteriological and histopathological investigations. Mixed infections of staphylococci along with Vibrio and Aeromonas representatives were detected in Dicentrarchus labrax, Sparus aurata and Diplodus puntazzo samples obtained from 7 farms. The following pathogens were identified: Staphylococcus. epidermidis, S. aureus, S. capitis subsp. capitis, S. lentus, S. hominis subsp. hominis and S. sciuri subsp. sciuri. Main clinical and histopathological effects of the infections in fishes were revealed. The pathogenicity of some isolates was confirmed with in vivo pathogenicity assay and SDS-PAGE analysis.     

Interaction of SAUR53 and Its Close Homologs with Calmodulin May Play a Role in Early Development in Arabidopsis

Plant Molecular Biology Reporter - Auxin plays crucial roles in modulating various aspects of plant growth and development throughout the plant life cycle. At the molecular level, auxin rapidly...     

Multiple effects of temperature,photoperiod and food quality on the performance of a pine sawfly

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Induction of diapause and seasonal morphs in butterflies and other insects: knowns,unknowns and the challenge of integration

The ‘choice’ of whether to enter diapause or to develop directly has profound effects on the life histories of insects, and may thus have cascading consequences such as seasonal morphs and other less obvious forms of seasonal plasticity. Present knowledge of the control of diapause and seasonal morphs at the physiological and molecular levels is briefly reviewed. Examples, mainly derived from personal research (primarily on butterflies), are given as a starting point with the aim of outlining areas of research that are still poorly understood. These include: the role of the direction of change in photoperiod; the role of factors such as temperature and diet in modifying the photoperiodic responses; and the role of sex, parental effects and sex linkage on photoperiodic control. More generally, there is still a limited understanding of how external cues and physiological pathways regulating various traits are interconnected via gene action to form a co‐adapted complete phenotype that is adaptive in the wild despite environmental fluctuation and change.