Investigation on the binding of polycyclic aromatic hydrocarbons with soil organic matter: a theoretical approach.
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Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous contaminants of the terrestrial environment that have been designated as Environmental Protection Agency (EPA) Priority Pollutants. In this study, molecular modeling was used to examine the physical and chemical characteristics of soil organic matter (SOM), fulvic acid (FA) and humic acid (HA), as well as their binding interactions with PAHs. The molecular structures of 18 PAHs were built by using the SYBYL 7.0 program and then fully optimized by a semiempirical (AM1) method. A molecular docking program, AutoDock 3.05, was used to calculate the binding interactions between the PAHs, and three molecular structure models including FA (Buffle's model), HA (Stevenson's model) and SOM (Schulten and Schnitzer's model). The pi-pi interactions and H-bonding interactions were found to play an important role in the intermolecular bonding of the SOM/PAHs complexes. In addition, significant correlations between two chemical properties, boiling point (bp) and octanol/water partition coefficient (Log K(ow)) and final docking energies were observed. The preliminary docking results provided knowledge of the important binding modes to FA, HA and SOM, and thereby to predict the sorption behavior of PAHs and other pollutants. (+info)
Sensitive monitoring of humic acid in various aquatic environments with acidic cerium chemiluminescence detection.
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In this research, a simple, sensitive chemiluminescence (CL) method for the determination of humic acid (HA) in water samples was first developed based on the redox reaction between humic acid and cerium(IV) in the acidic condition. Different with the former redox CL reaction which occurred in alkaline solution, no enhancers were needed and neither precipitation nor a second contamination would occur in the present CL system. Comparing with other spectrometric methods, we find that the proposed analysis system had better applicability and accuracy. Under the optimal experiment conditions, the CL peak height was linear with the concentration of HA in the range of 0.03 to 10.0 microg mL(-1). The detection limit is 0.01 microg mL(-1) (S/N = 3), and the relative standard deviation was 2.3% for 0.5 microg mL(-1) HA solution with eleven repeated measurements. The present CL method was successfully applied to the determination of HA in tap water, spring water and river water samples with good recovery from 90.0 to 110.0%. A possible CL mechanism was proposed based on the results of UV and fluorescence spectrometry and the CL spectrum of HA. It was speculated that the semi-quinone radicals in the excited state were the emitters. (+info)
Humic substances act as electron acceptor and redox mediator for microbial dissimilatory azoreduction by Shewanella decolorationis S12.
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The potential for humic substances to serve as terminal electron acceptors in microbial respiration and the effects of humic substances on microbial azoreduction were investigated. The dissimilatory azoreducing microorganism Shewanella decolorationis S12 was able to conserve energy to support growth from electron transport to humics coupled to the oxidation of various organic substances or H2. Batch experiments suggested that when the concentration of anthraquinone-2-sulfonate (AQS), a humics analog, was lower than 3 mmol/l, azoreduction of strain S12 was accelerated under anaerobic condition. However, there was obvious inhibition to azoreduction when the concentration of the AQS was higher than 5 mmol/l. Another humics analog, anthraquinone-2-sulfonate (AQDS), could still prominently accelerate azoreduction, even when the concentration was up to 12 mmol/l, but the rate of acceleration gradually decreased with the increasing concentration of the AQDS. Toxic experiments revealed that AQS can inhibit growth of strain S12 if the concentration past a critical one, but AQDS had no effect on the metabolism and growth of strain S12 although the concentration was up to 20 mmol/l. These results demonstrated that a low concentration of humic substances not only could serve as the terminal electron acceptors for conserving energy for growth, but also act as redox mediator shuttling electrons for the anaerobic azoreduction by S. decolorationis S12. However, a high concentration of humic substances could inhibit the bacterial azoreduction, resulting on the one hand from the toxic effect on cell metabolism and growth, and on the other hand from competion with azo dyes for electrons as electron acceptor. (+info)
Composting cattle dung wastes by using a hyperthermophilic pre-treatment process: characterization by physicochemical and molecular biological analysis.
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To solve malodorous odor problems by ammonia emission in composting of cattle dung wastes, we developed an alternative composting method consisting of a hyperthrmophilic pre-treatment reactor (HTPRT) (first step) combined with a general windrow post-treatment system (WPOT) (second step). In this study, physicochemical and microbiological differences in compost materials during the HTPRT-WPOT process and a simple windrow composing process (SWC) were investigated. The HTPRT-WPOT process removed excess ammonia in the compost materials by physical ammonia stripping, and controlled the malodorous ammonia emission. The organic matter evolution index showed that the HTPRT-WPOT process also contributed to accelerate formation of humic acids in composting. Quantitative real-time PCR analyses using Bacterial-, Archaeal- and fungal-protozoan-specific primer sets showed that small subunit ribosomal RNA (SSU rRNA) gene copy numbers differed much between composting materials of these two processes. Particularly, the SSU rRNA gene copy of eukaryotic microbes (fungi-protozoa) in the HTPRT-WPOT process was much higher than in the SWC process. From these results, we conclude that the HTPRT-WPOT process has great advantages for the control of malodorous odor problems caused by ammonia emission, and for high rate of composting evaluated by the humification rate and microbial characterization of the composting materials. (+info)
Superiority of K-edge XANES over LIII-edge XANES in the speciation of iodine in natural soils.
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Environmental behavior of iodine is of great importance especially related to the release of radioiodine from the processing of nuclear fuel, nuclear accidents, etc. To understand the fate of radioactive iodine in soil-water systems, it is necessary to establish a speciation method of iodine in soil. XANES is one of the most important candidates and we compared the performance of L(III)-edge and K-edge XANES for this purpose. In particular, fluorescence XANES with a multi-element semiconductor detector is essential for the measurement of XANES spectra for trace amounts of iodine in natural soil samples. When comparing L(III)- and K-edges, L(III)-edge XANES can be useful for the speciation due to its ability to distinguish various iodine species in their XANES spectra. However, at L(III)-edge measuring iodine L(alpha) emission, the proximity of its energy to those of Ca K(alpha) and K(beta1) causes a large contribution of background X-rays in the XANES spectra, since Ca is a major element in soil. Thus, it was concluded that K-edge XANES is more useful than L(III)-edge for the speciation of iodine in natural soils owing to its lower detection limit. The K-edge XANES was successfully applied to the speciation of natural iodine in a soil sample (iodine concentration: 55.8 mg/kg), showing that iodine is present in the sample as organo-iodine species incorporated in humic substances. (+info)
Innovative methods for soil DNA purification tested in soils with widely differing characteristics.
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Optimization of conditions for high-performance size-exclusion chromatography of different soil humic acids.
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A method of high-performance size-exclusion chromatography (HPSEC) for a wide variety of soil humic acids (HAs) was developed. Two types of soil HAs (Cambisol and Andosol HAs), which have substantially different chemical properties, showed different effects of salt and organic solvent concentrations in the eluent on chromatograms. A Shodex OHpak SB-805 HQ column with 10 mM sodium phosphate buffer (pH 7.0) containing 25% of acetonitrile (v/v) was found to be applicable for different HAs, and showed high reproducibility and recovery (87.0 - 94.5%). The Cambisol HA was fractionated into five fractions using an ultrafiltration with different molecular-weight cut-offs. The order of the molecular weights of the five fractions calculated from the HPSEC analysis corresponded to that defined by ultrafiltration. This supported the reliability of the method. (+info)
Removal of orange II, methylene blue and humic acid by ozone-activated carbon combination (OZAC) treatment.
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To prevent formation of trihalomethanes (THMs) in drinking water, removing precursors of trihalomethanes (PTHMs) in water resources for tap water is essential. We compared the following three treatments for removal of PTHMs: activated carbon (AC), ozone (OZ) and ozone-activated carbon combination (OZAC). Orange II (OR, an acidic dye), methylene blue (MB, a basic dye) and humic acid (HA) were used as PTHMs. HA exists abundantly as PTHM in nature. Results demonstrated that PTHMs could be decomposed or removed by either AC or OZ treatment. Efficiency of removal of HA by the three treatment methods was lower than that for removal of OR and MB, as the molecules of HA were larger than those of OR and MB. Decreases of total organic carbon values were achieved by treatment of MB with OZ or HA with AC. As for advanced water treatment, a two-step sequential process of OZ-AC treatments is currently used. However, the present results demonstrated that highly efficient removal of PTHMs could be accomplished by the addition of AC during OZ treatment. (+info)