249 research outputs found
High rate nitrogen removal by ANAMMOX internal circulation reactor (IC) for old landfill leachate treatment
© 2017 Elsevier Ltd This study aimed to evaluate the performance of a high rate nitrogen removal lab-scale ANAMMOX reactor, namely Internal Circulation (IC) reactor, for old landfill leachate treatment. The reactor was operated with pre-treated leachate from a pilot Partial Nitritation Reactor (PNR) using a high nitrogen loading rate ranging from 2 to 10 kg N m−3 d−1. High rate removal of nitrogen (9.52 ± 1.11 kg N m−3 d−1) was observed at an influent nitrogen concentration of 1500 mg N L−1. The specific ANAMMOX activity was found to be 0.598 ± 0.026 gN2-N gVSS−1 d−1. Analysis of ANAMMOX granules suggested that 0.5–1.0 mm size granular sludge was the dominant group. The results of DNA analysis revealed that Candidatus Kueneniastuttgartiensis was the dominant species (37.45%) in the IC reactor, whereas other species like uncultured Bacteroidetes bacterium only constituted 5.37% in the system, but they were still responsible for removing recalcitrant organic matter
Kinetics of the hydrogen abstraction ·C2H5 + alkane → C2H6 + alkyl reaction class: an application of the reaction class transition state theory
This paper presents an application of the reaction class transition state theory (RC-TST) to predict thermal rate constants for hydrogen abstraction reactions at alkane by the C2H5 radical on-the-fly. The linear energy relationship (LER), developed for acyclic alkanes, was also proven to hold for cyclic alkanes. We have derived all RCTST
parameters from rate constants of 19 representative
reactions, coupling with LER and the barrier height
grouping (BHG) approach. Both the RC-TST/LER, where
only reaction energy is needed, and the RC-TST/BHG,
where no other information is needed, can predict rate
constants for any reaction in this reaction class with satisfactory accuracy for combustion modeling. Our analysis indicates that less than 50% systematic errors on the average exist in the predicted rate constants using either
the RC-TST/LER or RC-TST/BHG method, while in comparison with explicit rate calculations, the differences
are within a factor of 2 on the average. The results also
show that the RC-TST method is not sensitive to the choice
of density functional theory used
Risk factors associated with mechanical ventilation, autonomic nervous dysfunction and physical outcome in Vietnamese adults with tetanus.
BACKGROUND: Tetanus remains common in many low- and middle-income countries, but as critical care services improve, mortality from tetanus is improving. Nevertheless, patients develop severe syndromes associated with autonomic nervous system disturbance (ANSD) and the requirement for mechanical ventilation (MV). Understanding factors associated with worse outcome in such settings is important to direct interventions. In this study, we investigate risk factors for disease severity and long-term physical outcome in adults with tetanus admitted to a Vietnamese intensive care unit. METHODS: Clinical and demographic variables were collected prospectively from 180 adults with tetanus. Physical function component scores (PCS), calculated from Short Form Health Survey (SF-36), were assessed in 79 patients at hospital discharge, 3 and 6 months post discharge. RESULTS: Age, temperature, heart rate, lower peripheral oxygen saturation (SpO2) and shorter time from first symptom to admission were associated with MV (OR 1.03 [ 95% confidence interval (CI) 1.00, 1.05], p = 0.04; OR 2.10 [95% CI 1.03, 4.60], p = 0.04; OR 1.04 [ 95% CI 1.01, 1.07], p = 0.02); OR 0.80 [95% CI 0.66, 0.94], p = 0.02 and OR 0.65 [95% CI 0.52, 0.79, p < 0.001, respectively). Heart rate, SpO2 and time from first symptom to admission were associated with ANSD (OR 1.03 [95% CI 1.01, 1.06], p < 0.01; OR 0.95 [95% CI 0.9, 1.00], p = 0.04 and OR 0.64 [95% CI 0.48, 0.80], p < 0.01, respectively). Median [interquartile range] PCS at hospital discharge, 3 and 6 months were 32.37 [24.95-41.57, 53.0 [41.6-56.3] and 54.8 [51.6-57.3], respectively. Age, female sex, admission systolic blood pressure, admission SpO2, MV, ANSD, midazolam requirement, hospital-acquired infection, pressure ulcer and duration of ICU and hospital stay were associated with reduced 0.25 quantile PCS at 6 months after hospital discharge. CONCLUSIONS: MV and ANSD may be suitable endpoints for future research. Risk factors for reduced physical function at 3 months and 6 months post discharge suggest that modifiable features during hospital management are important determinants of long-term outcome
Finite volume treatment of pi pi scattering and limits to phase shifts extraction from lattice QCD
We study theoretically the effects of finite volume for pipi scattering in
order to extract physical observables for infinite volume from lattice QCD. We
compare three different approaches for pipi scattering (lowest order
Bethe-Salpeter approach, N/D and inverse amplitude methods) with the aim to
study the effects of the finite size of the box in the potential of the
different theories, specially the left-hand cut contribution through loops in
the crossed t,u-channels. We quantify the error made by neglecting these
effects in usual extractions of physical observables from lattice QCD spectra.
We conclude that for pipi phase-shifts in the scalar-isoscalar channel up to
800 MeV this effect is negligible for box sizes bigger than 2.5m_pi^-1 and of
the order of 5% at around 1.5-2m_pi^-1. For isospin 2 the finite size effects
can reach up to 10% for that energy. We also quantify the error made when using
the standard Luscher method to extract physical observables from lattice QCD,
which is widely used in the literature but is an approximation of the one used
in the present work.Comment: 10 pages, 8 figure
Gamma radiation induces hydrogen absorption by copper in water
One of the most intricate issues of nuclear power is the long-term safety of repositories for radioactive waste. These repositories can have an impact on future generations for a period of time orders of magnitude longer than any known civilization. Several countries have considered copper as an outer corrosion barrier for canisters containing spent nuclear fuel. Among the many processes that must be considered in the safety assessments, radiation induced processes constitute a key-component. Here we show that copper metal immersed in water uptakes considerable amounts of hydrogen when exposed to γ-radiation. Additionally we show that the amount of hydrogen absorbed by copper depends on the total dose of radiation. At a dose of 69 kGy the uptake of hydrogen by metallic copper is 7 orders of magnitude higher than when the absorption is driven by H2(g) at a pressure of 1 atm in a non-irradiated dry system. Moreover, irradiation of copper in water causes corrosion of the metal and the formation of a variety of surface cavities, nanoparticle deposits, and islands of needle-shaped crystals. Hence, radiation enhanced uptake of hydrogen by spent nuclear fuel encapsulating materials should be taken into account in the safety assessments of nuclear waste repositories.Peer reviewe
Calculation of the visible-UV absorption spectra of hydrogen sulfide, bisulfide, polysulfides, and As and Sb sulfides, in aqueous solution
Recently we showed that visible-UV spectra in aqueous solution can be accurately calculated for arsenic (III) bisulfides, such as As(SH)(3), As(SH)(2)S(- )and their oligomers. The calculated lowest energy transitions for these species were diagnostic of their protonation and oligomerization state. We here extend these studies to As and Sb oxidation state III and v sulfides and to polysulfides S(n)(2-), n = 2–6, the bisulfide anion, SH(-), hydrogen sulfide, H(2)S and the sulfanes, S(n)H(2), n = 2–5. Many of these calculations are more difficult than those performed for the As(iii) bisulfides, since the As and Sb(v) species are more acidic and therefore exist as highly charged anions in neutral and basic solutions. In general, small and/or highly charged anions are more difficult to describe computationally than larger, monovalent anions or neutral molecules. We have used both Hartree-Fock based (CI Singles and Time-Dependent HF) and density functional based (TD B3LYP) techniques for the calculations of absorption energy and intensity and have used both explicit water molecules and a polarizable continuum to describe the effects of hydration. We correctly reproduce the general trends observed experimentally, with absorption energies increasing from polysulfides to As, Sb sulfides to SH(- )to H(2)S. As and Sb(v) species, both monomers and dimers, also absorb at characteristically higher energies than do the analogous As and Sb(III)species. There is also a small reduction in absorption energy from monomeric to dimeric species, for both As and Sb III and v. The polysufides, on the other hand, show no simple systematic changes in UV spectra with chain length, n, or with protonation state. Our results indicate that for the As and Sb sulfides, the oxidation state, degree of protonation and degree of oligomerization can all be determined from the visible-UV absorption spectrum. We have also calculated the aqueous phase energetics for the reaction of S(8 )with SH(- )to produce the polysulfides, S(n)H(-), n = 2–6. Our results are in excellent agreement with available experimental data, and support the existence of a S(6 )species
Kinetics of 1,6-hydrogen migration in alkyl radical reaction class
The kinetics of the 1,6-intramolecular hydrogen migration in the alkyl
radical reaction class has been studied using the reaction class transition state theory
(RC-TST) combined with the linear energy relationship (LER) and the barrier height
grouping (BHG) approach. The RC-TST/LER, where only reaction energy is needed,
and RC-TST/BHG, where no other information is needed, are found to be promising
methods for predicting rate constants for any reaction in the 1,6-intramolecular H
migration in alkyl radicals reaction class. Direct comparison with available experimental
data indicates that the RC-TST/LER, where only reaction energy is needed, can
predict rate constants for any reaction in this reaction class with satisfactory accuracy
Quark-mass dependence in decays
We study the quark-mass dependence of decays, based on a
dispersion-theoretical framework. We rely on the quark-mass-dependent
scattering phase shift for the pion-pion -wave extracted from unitarized
chiral perturbation theory. The dispersive representation then takes into
account the final-state rescattering among all three pions. The described
formalism may be used as an extrapolation tool for lattice QCD calculations of
three-pion decays, for which can serve as a paradigm case.Comment: 12 pages, 8 figures; v2: added two references, version published in
EPJ
The Pleiotropic CymR Regulator of Staphylococcus aureus Plays an Important Role in Virulence and Stress Response
We have characterized a novel pleiotropic role for CymR, the master regulator of cysteine metabolism. We show here that CymR plays an important role both in stress response and virulence of Staphylococcus aureus. Genes involved in detoxification processes, including oxidative stress response and metal ion homeostasis, were differentially expressed in a ΔcymR mutant. Deletion of cymR resulted in increased sensitivity to hydrogen peroxide-, disulfide-, tellurite- and copper-induced stresses. Estimation of metabolite pools suggests that this heightened sensitivity could be the result of profound metabolic changes in the ΔcymR mutant, with an increase in the intracellular cysteine pool and hydrogen sulfide formation. Since resistance to oxidative stress within the host organism is important for pathogen survival, we investigated the role of CymR during the infectious process. Our results indicate that the deletion of cymR promotes survival of S. aureus inside macrophages, whereas virulence of the ΔcymR mutant is highly impaired in mice. These data indicate that CymR plays a major role in virulence and adaptation of S. aureus for survival within the host
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