Aggerrao1111

This study presents a new method for energy-efficient wastewater treatment that synergizes the partial-denitrification, anammox, and in-situ fermentation (SPDAF) processes in an up-flow reactor. Nitrate-containing wastewater and actual domestic sewage were fed into this SPDAF system, which was operated for 180 days without the addition of external carbon sources and aeration. The total inorganic nitrogen (TIN) removal efficiency reached 93.1% with a low C/N ratio of 1.6, a NO3--N/NH4+-N ratio of 1.13 and a TIN concentration of 92.5 mg N/L. The contribution of anammox to nitrogen removal accounted for 95.6%. Batch tests demonstrated that the partial-denitrification process was able to use organics from either the influent or those produced by fermentation, thus providing nitrite for anammox. Significantly, fermentation played a key role in using the slowly biodegradable organics and provided adequate electron donor for partial-denitrification. Metagenomic sequencing analysis showed that the genera related to partial-denitrification, anammox, and fermentation bacteria were coexisted in this SPDAF system. The key functional genes of anammox bacteria (Hzs, 3986 hits; Hdh, 2804 hits) were highly detected in this study. The abundances of cytoplasmic nitrate reductase (58 706 hits) and periplasmic nitrate reductase (70 540 hits) were much higher than copper nitrite reductase (16 436 hits) and cytochrome cd1 nitrite reductase (14 264 hits), potentially contributing to the occurrence of partial-denitrification. Moreover, different abundances of genes involved in fermentation metabolism suggested that fermentation likely generated easily biodegradable organics for partial-denitrification.Herein, hydrophilic ZnO nanoparticles@calcium alginate composite has been prepared by embedding hydrophilic ZnO nanoparticles (NPs) into calcium alginate. The hydrophilic ZnO NPs within the composites can act as a killer of bacteria, while calcium alginate can remove the organic impurities due to its adsorption capacity, thus realizing the purification of water via sterilization and removal of organics. A water purifier based on the composite has been demonstrated, the aerobic bacterial counts of the contaminated water can be decreased from 2240 to 9 cfu mL-1, and the turbidity of the water is decreased to 0.51 NTU, which is below the maximum permissible of Guidelines for Drinking-water Quality designed by the World Health Organization. Sterilization mechanism studies show that the ZnO NPs can cause excessive oxidative stress in cells, inducing bacteria to produce large amounts of intracellular reactive oxygen species (ROS), which leads to the apoptosis of the bacteria.Determining stability constants of uranyl complexes with the principal functional groups in siderophores and identifying stability series is of great importance to predict which siderophore classes preferentially bind to UVI and, hence, impact uranium speciation in the environment. It also helps to develop resins for scavenging UVI from aqueous solutions. Here, we apply a recently developed computational approach to calculate log β values for a set of geochemically relevant uranium organometallic complexes using Density Functional Theory (DFT). We determined the stability series for catecholate, hydroxamate, α-hydroxycarboxylate, α-aminocarboxylate, hydroxy-phenyloxazolonate, and α-hydroxyimidazole with the uranyl cation. In this work, the stability constants (log β110) of α-hydroxyimidazolate and hydroxy-phenyloxazolonate are calculated for the first time. Our approach employed the B3LYP density functional approximation, aug-cc-pVDZ basis set for ligand atoms, MDF60 ECP for UVI, and the IEFPCM solvation model. DFT calculated log β110 were corrected using a previously established fitting equation. read more We find that the siderophore functional groups stability decreases in the order α-hydroxycarboxylate bound via the α-hydroxy and carboxylate groups (log β110 = 17.08), α-hydroxyimidazolate (log β110 = 16.55), catecholate (log β110 = 16.43), hydroxamate (log β110 = 9.00), hydroxy-phenyloxazolonate (log β110 = 8.43), α-hydroxycarboxylate bound via the carboxylate group (log β110 = 7.51) and α-aminocarboxylate (log β110 = 4.73). We confirm that the stability for the binding mode of the functional groups decrease in the order bidentate, monodentate via ligand O atoms, and monodentate via ligand N atoms. The stability series strongly suggests that α-hydroxyimidazolate is an important functional group that needs to be included when assessing uranyl mobility and removal from aqueous solutions.Two types of implementation of the Hartree-Fock (HF) exchange energy were developed with the real-space grid approach for the purpose of achieving high efficiency in the parallel execution of the hybrid exchange functional in the density functional theory. First, a parallel implementation of the three-dimensional fast Fourier transform (FFT), referred to as PFFT, was adapted to solve the Poisson equations for the electrostatic potentials of the densities of the orbital pairs. In the other approach, the Poisson equations were solved iteratively through the conjugate gradient (CG) procedures where the operation of Laplacian was parallelized by the domain decomposition scheme. Comparison of the parallel performances for the exchange energy calculation was made between these two approaches, and it was revealed that the calculation with the FFT method is faster than that with CG. The method with FFT is more advantageous than CG because a larger bandwidth can be made available in the collective message passing interface communication associated with the parallel execution of FFT. We also implemented the projection operator to circumvent the laborious calculation of the exchange energy at every self-consistent field step, which made a significant contribution to expedite the convergence. To assess the accuracy of our implementation, the association energies of a hydrated ion were computed, which showed excellent agreement with those given by the Gaussian 09 program employing sophisticated basis sets.