A GIS-based technique for linking landscape characteristics to non-point source nitrogen export potential: implications for contributing areas management

A Nitrate-N Leaching Index (NLI) is calculated and the results indicate that nitrogen loss in the study area occurs through both leaching and surface runoff. A non-linear regression model of trapping efficiency was combined with a first order decay model to examine the impact of soil characteristics, slope, vegetative cover, land use and distance to streams on the spatial pattern of non-point source nitrogen inputs to streams. The model evaluates the statistical significance of each landscape factor and provides an easy interpretation of the landscape delivery ratio of nitrogen based on a pixel-based characterisation of the watershed. The model was validated by comparing the distributions of the observed and estimated monthly nitrogen concentrations. The exploratory GIS-based method presented here can improve the understanding of the impact of landscape characteristics on nitrate-nitrogen contributing areas and therefore assist watershed management efforts.     

Radiosynthesis of perfluorooctanesulfonate (PFOS) and perfluorobutanesulfonate (PFBS), including solubility, partition and adhesion studies

Here, we describe for the first time the synthesis of [³⁵S] PFOS and [³⁵S] PFBS with sulfur-35 enriched sulfur dioxide as the radiolabelled reagent, resulting in 2.5 and 2.3 mCi of product, respectively. Basic information concerning the physicochemical properties of perfluorooctanesulfonate (PFOS), perfluorobutanesulfonate (PFBS) and perfluorooctanoic acid (PFOA) are still limited. Hence, we utilized these radiolabelled perfluoroalkanesulfonates (PFSAs), as well as carbon-14 labelled perfluorooctanoic acid ([¹⁴C] PFOA) to determine some basic characteristics of physiological and experimental significance.The solubility of PFOS in buffered aqueous solutions at pH 7.4 was found to be severely reduced in the presence of potassium and sodium ions, which, however, did not reduce the solubility of PFOA or PFBS. PFOS was found to adhere to a small extent to polypropylene and polystyrene, whereas no such adhesion of PFOA or PFBS was detected. The extents of adhesion of PFOS and PFOA to glass were found to be 20% and 10%, respectively. For the first time, the partition coefficients for PFOS, PFBS and PFOA between n-octanol and water were determined experimentally, to be −0.7, −0.3, and 1.4, respectively, reflecting the difference in the amphiphilic natures of these molecules.     

Tylosin Sorption to Silty Clay Loam Soils,Swine Manure,and Sand

The objectives of this study were to assess sorption and desorption of tylosin, a macrolide antimicrobial chemical used in swine, cattle, and poultry production, in three silty clay loam soils of South Dakota and compare soil sorption to sand and manure sorption. The silty clay loam soils, from a toposequence in eastern South Dakota, standardized sand samples, and swine manure were used in 24-h batch sorption studies with tylosin concentrations ranging from 25 to 232 μ mole/L. Desorption from soil was conducted over a four-day period. Partition coefficients, based on the Freundlich isotherm (K _f ) or K _d values, were calculated. K _f values for the silty clay loams were similar, not influenced by landscape position, and averaged 1350 with isotherm slopes ranging from 0.85 to 0.93. K _f values for sand were dependent on solution/sand ratios and pH, ranging from 1.4 to 25.1. K _d values of manure were dependent on the solution type and ranged from 840 L/kg with urine to about 175 L/kg when sorbed from water. Desorption of tylosin from each soil over the four-day period was < 0.2% of the amount added. The soils' high K _f values and low desorption amounts suggest that once tylosin is in these soils, leaching to lower depths may not occur. However, this does not preclude runoff with soil eroded particles. If tylosin reaches a sand aquifer, through bypass flow or other mechanism(s), movement in the aquifer most likely would occur.     

应用量子化学参数预测多氯有机物的分配性质

应用量子化学AM1算法求得多氯有机物的量化参数，以此来构建定量结构－性质相关（QSPR）模型。该模型能较好地预测多氯有机物的正辛醇／水分配系数（Kow)和沉积物吸附系数（Koc).Kow和Koc平均误差分别为0．31和0．33个对数单位。模型的稳健性检验结果表明：模型中自变量不存在相关关系；残差呈正态分布；对Koc来说，PCB和PCDD／F在构建模型中起核心作用，剔除该类化合物导致模型相关系数明显下降，农药类及氯硝基苯类化合物的存在降低了模型的精度。     

季铵盐改性土壤对水中苯酚的吸附及机理研究

采用十六烷基三甲基溴化铵（ＨＤＴＭＡ）对土壤进行了改性。结果表明，改必一时最适温度为５０￣５５℃，最适ＰＨ为中性最适ＨＤＴＭＡ浓度为１％，又考察了ＰＨ、改性土壤用量及振荡时间对吸附效果的影响，通过测定吸附等温线探讨了吸附机理。结果表明，ＰＨ＝３￣１０时，酚捐附去除率基本不变，当ＰＨ〉１０时，吸附效率随ＰＨ增大而提高。随着改性土壤用量的增加和振荡时间的延长。酚的去除率升高。改性土壤对苯酚的等温吸附规     

Three-dimensional diffusion of non-sorbing species in porous sandstone: computer simulation based on X-ray microtomography using synchrotron radiation

The diffusion pathways of porous sandstone were examined by a three-dimensional (3-D) imaging technique based on X-ray computed tomography (CT) using the SPring-8 (Super Photon ring-8 GeV, Hyogo, Japan) synchrotron radiation facility. The analysis was undertaken to develop better understanding of the diffusion pathways in natural rock as a key factor in clarifying the detailed mechanism of the diffusion of radionuclides and water molecules through the pore spaces of natural barriers in underground nuclear waste disposal facilities. A cylindrical sample (diameter 4 mm, length 6 mm) of sandstone (porosity 0.14) was imaged to obtain a 3-D image set of 450(3) voxels=2.62(3) mm(3). Through cluster-labeling analysis of the 3-D image set, it was revealed that 89% of the pore space forms a single large pore-cluster responsible for macroscopic diffusive transport, while only 11% of the pore space is made up of isolated pores that are not involved in long-range diffusive transport. Computer simulations of the 3-D diffusion of non-sorbing random walkers in the largest pore cluster were performed to calculate the surface-to-volume ratio of the pore, tortuosity (diffusion coefficient in free space divided by that in porous rock). The results showed that (i) the simulated surface-to-volume ratio is about 60% of the results obtained by conventional pulsed-field-gradient proton nuclear magnetic resonance (NMR) laboratory experiments and (ii) the simulated tortuosity is five to seven times larger than the results of laboratory diffusion experiments using non-sorbing I(-) and Br(-). These discrepancies are probably attributed to the intrinsic sample heterogeneity and limited spatial resolution of the CT system. The permeability was also estimated based on the NMR diffusometry theory using the results of the random walk simulations via the Kozeny-Carman equation. The estimated permeability involved an error of about 20% compared with the permeability measured by the conventional method, suggesting that the diffusometry-based NMR well logging with gradient coils is applicable to the in-situ permeability measurement of strata. The present study demonstrated that X-ray CT using synchrotron radiation is a powerful tool for obtaining 3-D pore structure images without the beam-hardening artifacts inevitable in conventional CT using X-ray tubes.     

Compound dependence of the relationship log Kow and log BCFL

Linear relatinships between log bioconcentration factor (BCF) and log K^ow for a variety of compounds have been reported many times in the literature. Analysis of the thermodynamics of the two partition processes has, however, shown that they are not analogous and that linear relationships can be expected to have different slopes for structurally unrelated compounds. In this study a set of literature lipid normalized BCF (BCF_L) values of chlorbenzenes (CBs) for rainbow trout and polycyclic aromatic hydrocarbons (PAHs) forDaphnia was put together with literature K_ow values. The slopes of the regression lines for log BCF_L versus log K_ow for the two groups of compounds proved to differ significantly in a statistical test using analysis of variance (ANOVA). The difference, which is of significance for estimates of BCFs in environmental modelling of these types of compounds, is explained by the differences in chemical structure of the two groups of compounds.     

Organophosphate esters in sediment from Taihu Lake,China: Bridging the gap between riverine sources and lake sinks

• Eleven OPEs were detected in river sediment and lake sediment in Taihu Lake. • TnBP dominated in river sediment, while TBEP dominated in lake sediment. • A strong correlation existed between logK_oc and logK_ow of OPEs. • Vertical profiles of OPEs in sediment cores varied according to sampling location. Surface sediment samples from Taihu Lake in China and its inflow rivers, along with two lake sediment core samples, were collected and analyzed for organophosphate esters (OPEs). The concentrations of total OPEs varied from 28.60 ng/g to 158.72 ng/g (median: 54.25 ng/g) in river surface sediment and from 62.57 ng/g to 326.84 ng/g (median: 86.37 ng/g) in lake sediment. Tributyl phosphate (TnBP) was the predominant compound in river surface sediment, and tris(2-butoxyethyl) phosphate was predominant in lake sediment. High contamination occurred in the north-west region, which was related to the high level of urbanization and high usage of OPEs. The sediment–water partition coefficients of OPEs (logK_oc) were calculated, showing a significant correlation with logK_ow (p<0.05). The concentration and composition of OPEs in two sediment cores varied due to the different sampling locations, with more OPE species found in the northern region than in the southern one. Principal component analysis and positive matrix factorization indicated that sewage discharges, vehicle emissions, and atmospheric deposition were the possible sources of OPEs in Taihu Lake sediments. Tris(1-chloro-2-propyl) phosphate, tris(2-chloroethyl) phosphate, and TnBP were the main OPEs causing ecological risks.     

Environmental sub models for a macroeconomic model: agricultural contribution to climate change and acidification in Denmark

Integrated modelling of the interaction between environmental pressure and economic development is a useful tool to evaluate environmental consequences of policy initiatives. However, the usefulness of such models is often restricted by the fact that these models only include a limited set of environmental impacts, which are often energy-related emissions. In order to evaluate the development in the overall environmental pressure correctly, these model systems must be extended. In this article an integrated macroeconomic model system of the Danish economy with environmental modules of energy related emissions is extended to include the agricultural contribution to climate change and acidification. Next to the energy sector, the agricultural sector is the most important contributor to these environmental themes and subsequently the extended model complex calculates more than 99% of the contribution to both climate change and acidification. Environmental sub-models are developed for agriculture-related emissions of CH(4), N(2)O and NH(3). Agricultural emission sources related to the production specific activity variables are mapped and emission dependent parameters are identified in order to calculate emission coefficients. The emission coefficients are linked to the economic activity variables of the Danish agricultural production. The model system is demonstrated by projections of agriculture-related emissions in Denmark under two alternative sets of assumptions: a baseline projection of the general economic development and a policy scenario for changes in the husbandry sector within the agricultural sector.