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“Gamma induced atom displacements in LYSO and LuYAP crystals as used in medical imaging applications”. Pinera I, Cruz CM, Abreu Y, Leyva A, van Espen P, Diaz A, Cabal AE, Van Remortel N, Interactions With Materials And Atoms 356, 46 (2015). http://doi.org/10.1016/J.NIMB.2015.04.063
Abstract: The radiation damage, in terms of atom displacements, induced by gamma irradiation in LYSO and LuYAP crystals is presented. Sc-44, Na-22 and V-48 are used as gamma sources for this study. The energy of gammas from the electron positron annihilation processes (511 keV) is also included in the study. The atom displacements distributions inside each material are calculated following the Monte Carlo assisted Classical Method introduced by the authors. This procedure also allows to study the atom displacements in-depth distributions inside each crystal. The atom displacements damage in LYSO crystals is found to be higher than in LuYAP crystals, mainly provoked by the displacements of silicon and oxygen atoms. But the difference between atom displacements produced in LYSO and LuYAP decreases when more energetic sources are used. On the other hand, the correlation between the atom displacements and energy deposition in-depth distributions is excellent. The atom displacements to energy deposition ratio is found to increases with more energetic photon sources. LYSO crystals are then more liable to the atom displacements damage than LuYAP crystals. (C) 2015 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.NIMB.2015.04.063
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“Elemental composition of PM2.5 in Araraquara City (Southeast Brazil) during seasons with and without sugar cane burning”. Silva FS, Godoi RHM, Tauler R, de André, PA, Saldiva PHN, Van Grieken R, de Marchi MRR, Journal of environmental protection 6, 426 (2015). http://doi.org/10.4236/JEP.2015.65041
Abstract: Particulate matter with an aerodynamic diameter below 2.5 μm (PM2.5), present in polluted air, has been associated with a large spectrum of health impairments, mainly because of its deep deposition into the lungs. Araraquara City (Southeast Brazil) is surrounded by sugar-cane plantations, which are burned to facilitate the harvesting; this process causes environmental pollution due to the large amounts of soot that are released into the atmosphere. In this work, the elemental composition of PM2.5 was studied in two scenarios, namely in sugar-cane harvesting (HV) and in non-harvesting (NHV) seasons. The sampling strategy included one campaign in each season. PM2.5 was collected using a dichotomous sampler (10 L·min-1, 24 h) with PTFE filters. Information concerning the bulk elemental concentration was provided by energy-dispersive X-ray fluorescence. Enrichment factor analysis indicated that S, Cl, K, Cr, Ni, Cu, Zn, As, Cd and Pb were highly enriched relative to their crustal ratios (to Al). Principal component analysis was used to get some insight about the sources of the elements. Principal component 1 (PC1) explained 30.5% of data variance. The elements that had high loading (>0.7) were: S, Cr, As, and Pb; these are associated with combustion of fossil fuels. In principal component 2 (PC2), Cl, Cu, Zn, and Cd showed high loadings; these elements are associated with biomass burning. The Ni concentration found is three times larger than the threshold of risk for lung cancer, as recommended by the World Health Organization.
Keywords: A2 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.4236/JEP.2015.65041
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“Accounting for land-use efficiency and temporal variations between brownfield remediation alternatives in life-cycle assessment”. Beames A, Broekx S, Heijungs R, Lookman R, Boonen K, Van Geert Y, Dendoncker K, Seuntjens P, Journal of cleaner production 101, 109 (2015). http://doi.org/10.1016/J.JCLEPRO.2015.03.073
Abstract: The latest life-cycle assessment methods account for land use, due to the production, use and disposal of products and services, in terms of ecosystem damage. The process of brownfield remediation converts otherwise idle urban space into productive space. The value to ecosystems in this context is of course limited since the brownfield site remains urban. When evaluating brownfield remediation technologies, the availability of space on-site is dependent on the duration of time required by the remediation technology to reach the remediation target. Remediation technology alternatives tend to vary largely in terms of duration. Comparative life-cycle assessments of remediation technologies, to date, present the large variations between alternatives in terms of remediation duration but do not translate this into an impact or parameter. The restored subsurface zone is often defined as a functional unit, when in fact the surface area is the resource restored by the remediation service. The economic benefits of making land resources available are particularly important considerations in the context of brownfield remediation. The research proposes an innovative impact assessment approach that allows land to be considered as a finite resource. The method is applied in a comparative life-cycle assessment of two potential remediation scenarios for an idle brownfield in the Brussels region of Belgium. The results show that there is a trade-off between greenhouse gas emissions and land availability and that both are largely dependent on the efficiency of the contaminant extraction mechanism. The results also raise the question as to whether the economic valuation of land, like precious metals and fossil fuels, provides an accurate reflection of the true value of the resource. Considering land as a resource at the midpoint level is also relevant in other urban contexts where competition exists between different land-uses, where urban sprawl is detrimental to undeveloped areas and where urban intensification is a policy objective. (C) 2015 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.JCLEPRO.2015.03.073
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“Economic and environmental multi-objective optimization to evaluate the impact of Belgian policy on solar power and electric vehicles”. De Schepper E, Van Passel S, Lizin S, Vincent T, Martin B, Gandibleux X, Journal of environmental economics and policy 5, 1 (2016). http://doi.org/10.1080/21606544.2015.1019569
Abstract: This research uses multi-objective optimisation to determine the optimal mixture of energy and transportation technologies, while optimising economic and environmental impacts. We demonstrate the added value of using multi-objective mixed integer linear programming (MOMILP) considering economies of scale versus using continuous multi-objective linear programming assuming average cost intervals. This paper uses an improved version to solve MOMILPs exactly. To differentiate optimal solutions with and without subsidies, the impact of policy on the Pareto frontier is assessed. We distinguish between minimising economic life cycle costs (complete rationality) and required investments (bounded rationality). The approach is illustrated using a Belgian company with demands for electricity and transport. Electricity technologies are solar photovoltaics and the grid; transportation includes internal combustion engine vehicles, grid powered battery electric vehicles (BEVs), and solar-powered BEVs. The impact of grid powered BEVs to reduce GHG emissions is limited, yet they are less costly than solar panels to decrease emissions. Current policy measures are found to be properly targeting rational investors who consider life cycle costs, while private (potentially bounded rational) investors often focus on required investments only.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
DOI: 10.1080/21606544.2015.1019569
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“New insights in technology characterization of medieval Valencia glazes”. Romero-Pastor J, Garcia-Porras A, Van Grieken R, Potgieter-Vermaak S, Coll-Conesa J, Cardell C, X-ray spectrometry 44, 426 (2015). http://doi.org/10.1002/XRS.2613
Abstract: This study shows the first Raman microscopy (RM) and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX) characterization of two 14th and 15th century lead-glazed and luster ceramics from the Manises and Paterna workshops (Valencia, Spain) produced after the Aragon Christian conquest of the Iberian Peninsula (14th century). According to experts, these coetaneous ceramics were most probably involved in a process of technological transfer from the Islamic area of Southeast Spain to the Christian area of Valencia (East Spain) at the beginning of the 14th century; later on, the celebrated Manises and Paterna workshops were formed. Although these ceramics have been studied widely in terms of production technology (ceramic body, glazes and luster) using an array of diverse analytical techniques, until now, an RM study has not been carried out. This paper presents results regarding the complex chemical composition of the glaze and luster coloring agents, and the quality of color manufacturing processes, elucidating firing conditions via spectral components analysis (i.e., Q(n) for stretching/bending components) and polymerization index (Ip), emphasizing chronology and pigment technology changes between both Valencian workshops. Coloring agents identified in glazes and lusters were cobalt present in blue glazes, copper in greenish glazes, copper and cobalt in the turquoise glaze, and pyrolusite in black glazes. Tin oxyde was used as an opacifier in white glazes. Two luster manufacture recipes were recognized mainly based on copper and silver compounds. Calculated firing temperatures were up to 1000 degrees C for white glazes and up to 600 degrees C for luster and color glazes. Copyright (c) 2015 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2613
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“Combining multi-receiver electromagnetic induction and stepped frequency ground penetrating radar for industrial site investigation”. Van De Vijver E, Van Meirvenne M, Saey T, Delefortrie S, De Smedt P, De Pue J, Seuntjens P, European journal of soil science 66, 688 (2015). http://doi.org/10.1111/EJSS.12229
Abstract: The soil at industrial sites is frequently characterized by very heterogeneous properties, which are often related to physical disturbance and contamination. A conventional approach to characterize the soil, with only a limited number of invasive observations, fails to capture the full extent of soil heterogeneity. Proximal soil sensing provides efficient tools to record spatially dense soil information. Nevertheless, because the output of most sensors is affected by more than one soil property, the simultaneous characterization of different soil properties requires the use of multiple sensors. Here, we apply multi-receiver electromagnetic induction (EMI) and stepped frequency ground penetrating radar (GPR) to survey a former gasworks site in a seaport area of Belgium. We used the EMI and GPR sensors in a motorized system to obtain densely sampled measurements of apparent electrical conductivity, apparent magnetic susceptibility and contrasts in relative dielectric permittivity. Our study shows that the sensors give detailed information on the variation in these electromagnetic soil properties. Interpretation of the variation in terms of the stratification of the soil was hampered by localized anthropogenic disturbances. However, the sensors provided complementary information that enabled the identification, discrimination and accurate location of several of these localized disturbances, including underground utility services such as electric cables, buried structures such as the remains of foundations and contamination by salts. Because these represent typical targets in industrial site investigation, we conclude that multi-receiver EMI and stepped frequency GPR provide a useful set of tools to expedite the investigation of industrial sites.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1111/EJSS.12229
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“Quantification and characterization of glyphosate use and loss in a residential area”. Tang T, Boenne W, Desmet N, Seuntjens P, Bronders J, van Griensven A, The science of the total environment 517, 207 (2015). http://doi.org/10.1016/J.SCITOTENV.2015.02.040
Abstract: Urban runoff can be a significant source of pesticides in urban streams. However, quantification of this source has been difficult because pesticide use by urban residents (e.g., on pavements or in gardens) is often unknown, particularly at the scale of a residential catchment. Proper quantification and characterization of pesticide loss via urban runoff require sound information on the use and occurrence of pesticides at hydrologically-relevant spatial scales, involving various hydrological conditions. We conducted a monitoring study in a residential area (9.5 ha, Flanders, Belgium) to investigate the use and loss of a widely-used herbicide (glyphosate) and its major degradation product (aminomethylphosphonic acid, AMPA). The study covered 13 rainfall events over 67 days. Overall, less than 0.5% of glyphosate applied was recovered from the storm drain outflow in the catchment. Maximum detected concentrations were 6.1 mu g/L and 5.8 mu g/L for glyphosate and AMPA, respectively, both of which are below the predicted no-effect concentration for surface water proposed by the Flemish environmental agency (10 mu g/L), but are above the EU drinking water standard (0.1 mu g/L). The measured concentrations and percentage loss rates can be attributed partially to the strong sorption capacity of glyphosate and low runoff potential in the study area. However, glyphosate loss varied considerably among rainfall events and event load of glyphosate mass was mainly controlled by rainfall amount, according to further statistical analyses. To obtain urban pesticide management insights, robust tools are required to investigate the loss and occurrence of pesticides influenced by various factors, particularly the hydrological and spatial factors. (C) 2015 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.SCITOTENV.2015.02.040
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“Oxidation of iron causes removal of phosphorus and arsenic from streamwater in groundwater-fed lowland catchments”. Baken S, Salaets P, Desmet N, Seuntjens P, Vanlierde E, Smolders E, Environmental science and technology 49, 2886 (2015). http://doi.org/10.1021/ES505834Y
Abstract: The fate of iron (Fe) may affect that of phosphorus (P) and arsenic (As) in natural waters. This study addresses the removal of Fe, P, and As from streams in lowland catchments fed by reduced, Fe-rich groundwater (average: 20 mg Fe L-1). The concentrations of dissolved Fe (<0.45 mu m) in streams gradually decrease with increasing hydraulic residence time (travel time) of the water in the catchment. The removal of Fe from streamwater is governed by chemical reactions and hydrological processes: the oxidation of ferrous iron (Fe(II)) and the subsequent formation of particulate Fe oxyhydroxides proceeds as the water flows through the catchment into increasingly larger streams. The Fe removal exhibits first-order kinetics with a mean half-life of 12 h, a value in line with predictions by a kinetic model for Fe(II) oxidation. The Fe concentrations in streams vary seasonally: they are higher in winter than in summer, due to shorter hydraulic residence time and lower temperature in winter. The removal of P and As is much faster than that of Fe. The average concentrations of P and As in streams (42 mu g P L-1) and 1.4 mu g As L-1) are 1 order of magnitude below those in groundwater (393 mu g P L-1 and 17 mu g As L-1). This removal is attributed to fast sequestration by oxidizing Fe when the water enters oxic environments, possibly by adsorption on Fe oxyhydroxides or by formation of ferric phosphates. The average P and As concentrations in groundwater largely exceed local environmental limits for freshwater (140 mu g P L-1 and 3 mu g As L((-1)), but in streams, they are below these limits. Naturally occurring Fe in groundwater may alleviate the environmental risk associated with P and As in the receiving streams.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1021/ES505834Y
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“Comparison of x-ray absorption and emission techniques for the investigation of paintings”. Cabal A, Schalm O, Eyskens P, Willems P, Harth A, van Espen P, X-ray spectrometry 44, 141 (2015). http://doi.org/10.1002/XRS.2591
Abstract: Four x-ray techniques: computed radiography, emission radiography, energy-resolved radiography and imaging x-ray fluorescence were compared using four mock-up panel paintings. The paintings have different stratigraphy and pigments and are representative for different historical periods. One of the paintings has a hidden underlying painting. The type of pigments used mainly influences the information obtained by both the emission and absorption measurements; high-Z white pigment and high-Z color pigments giving the best contrast. Each of the techniques revealed interesting aspects of the paintings, but none of them could reveal the hidden painting to a satisfactory level. Due to the statistical quality of the spectral data, x-ray fluorescence gives elemental images with high contrast. The radiographic images are better to reveal the internal structure. Imaging x-ray fluorescence and energy-resolved radiography measurements can be done simultaneously, and the combination has the highest potential for the study of complex multilayer paintings. Copyright (c) 2015 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
DOI: 10.1002/XRS.2591
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“Determining groundwater-surface water exchange from temperature-time series : combining a local polynomial method with a maximum likelihood estimator”. Vandersteen G, Schneidewind U, Anibas C, Schmidt C, Seuntjens P, Batelaan O, Water resources research 51, 922 (2015). http://doi.org/10.1002/2014WR015994
Abstract: The use of temperature-time series measured in streambed sediments as input to coupled water flow and heat transport models has become standard when quantifying vertical groundwater-surface water exchange fluxes. We develop a novel methodology, called LPML, to estimate the parameters for 1-D water flow and heat transport by combining a local polynomial (LP) signal processing technique with a maximum likelihood (ML) estimator. The LP method is used to estimate the frequency response functions (FRFs) and their uncertainties between the streambed top and several locations within the streambed from measured temperature-time series data. Additionally, we obtain the analytical expression of the FRFs assuming a pure sinusoidal input. The estimated and analytical FRFs are used in an ML estimator to deduce vertical groundwater-surface water exchange flux and its uncertainty as well as information regarding model quality. The LPML method is tested and verified with the heat transport models STRIVE and VFLUX. We demonstrate that the LPML method can correctly reproduce a priori known fluxes and thermal conductivities and also show that the LPML method can estimate averaged and time-variable fluxes from periodic and nonperiodic temperature records. The LPML method allows for a fast computation of exchange fluxes as well as model and parameter uncertainties from many temperature sensors. Moreover, it can utilize a broad frequency spectrum beyond the diel signal commonly used for flux calculations.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1002/2014WR015994
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“Introducing four new members of the editorial board of X-ray spectrometry”. Van Grieken R, X-ray spectrometry 44, 1 (2015). http://doi.org/10.1002/XRS.2577
Keywords: Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2577
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“Potentiometric detection in UPLC as an easy alternative to determine cocaine in biological samples”. Daems D, van Nuijs ALN, Covaci A, Hamidi-Asl E, Van Camp G, Nagels LJ, Biomedical chromatography 29, 1124 (2015). http://doi.org/10.1002/BMC.3400
Abstract: The analytical methods which are often used for the determination of cocaine in complex biological matrices are a prescreening immunoassay and confirmation by chromatography combined with mass spectrometry. We suggest an ultra-high-pressure liquid chromatography combined with a potentiometric detector, as a fast and practical method to detect and quantify cocaine in biological samples. An adsorption/desorption model was used to investigate the usefulness of the potentiometric detector to determine cocaine in complex matrices. Detection limits of 6.3ngmL(-1) were obtained in plasma and urine, which is below the maximum residue limit (MRL) of 25ngmL(-1). A set of seven plasma samples and 10 urine samples were classified identically by both methods as exceeding the MRL or being inferior to it. The results obtained with the UPLC/potentiometric detection method were compared with the results obtained with the UPLC/MS method for samples spiked with varying cocaine concentrations. The intraclass correlation coefficient was 0.997 for serum (n =7) and 0.977 for urine (n =8). As liquid chromatography is an established technique, and as potentiometry is very simple and cost-effective in terms of equipment, we believe that this method is potentially easy, inexpensive, fast and reliable. Copyright (c) 2014 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
DOI: 10.1002/BMC.3400
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“Highly parameterized inversion of groundwater reactive transport for a complex field site”. Carniato L, Schoups G, van de Giesen N, Seuntjens P, Bastiaens L, Sapion H, Journal of contaminant hydrology 173, 38 (2015). http://doi.org/10.1016/J.JCONHYD.2014.12.001
Abstract: In this study a numerical groundwater reactive transport model of a shallow groundwater aquifer contaminated with volatile organic compounds is developed. In addition to advective-dispersive transport, the model includes contaminant release from source areas, natural attenuation, abiotic degradation by a permeable reactive barrier at the site, and dilution by infiltrating rain. Aquifer heterogeneity is parameterized using pilot points for hydraulic conductivity, specific yield and groundwater recharge. A methodology is developed and applied to estimate the large number of parameters from the limited data at the field site (groundwater levels, groundwater concentrations of multiple chemical species, point-scale measurements of soil hydraulic conductivity, and lab-scale derived information on chemical and biochemical reactions). The proposed methodology relies on pilot point parameterization of hydraulic parameters and groundwater recharge, a regularization procedure to reconcile the large number of spatially distributed model parameters with the limited field data, a step-wise approach for integrating the different data sets into the model, and high performance computing. The methodology was proven to be effective in reproducing multiple contaminant plumes and in reducing the prior parameter uncertainty of hydraulic conductivity and groundwater recharge. Our results further indicate that contaminant transport predictions are strongly affected by the choice of the groundwater recharge model and flow parameters should be identified using both head and concentration measurements. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.JCONHYD.2014.12.001
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“Tangible versus intangible in e-learning on cultural heritage : from online learning to on-site study of historic sites”. Lobovikov-Katz A, Moropoulou A, Konstanti A, Ortiz Calderon P, Van Grieken R, Worth S, Cassar JA, De Angelis R, Biscontin G, Izzo FC, Lecture notes in computer science
T2 –, 5th EuroMed International Conference, NOV 03-08, 2014, Amathus, CYPRUS 8740, 819 (2014). http://doi.org/10.1007/978-3-319-13695-0_84
Abstract: The revolutionary development in digital theory and technology calls for non-trivial decisions in bridging between the virtual and real worlds. The field of conservation of cultural heritage thus provides various challenges, especially with regards to learning, study and investigation of tangible heritage through applications of intangible ICT technologies. This paper examines the interaction between e-learning, and the actual on-site learning and study of historic buildings and sites, with an emphasis on their visual characteristics. In this context, the paper presents some aspects of application of a methodology which allows basic documentation, monitoring and primary analysis of data on cultural (built) heritage sites by general public through educational process enabled by an e-learning platform.
Keywords: P1 Proceeding; Documentation and information; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/978-3-319-13695-0_84
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“Study of a unique 16th century Antwerp majolica floor in the Rameyenhof castle's chapel by means of X-ray fluorescence and portable Raman analytical instrumentation”. Van de Voorde L, Vandevijvere M, Vekemans B, Van Pevenage J, Caen J, Vandenabeele P, van Espen P, Vincze L, Spectrochimica acta: part B : atomic spectroscopy 102, 28 (2014). http://doi.org/10.1016/J.SAB.2014.10.007
Abstract: The most unique and only known 16th century Antwerp majolica tile floor in Belgium is situated in a tower of the Rameyenhof castle (Gestel, Belgium). This exceptional work of art has recently been investigated in situ by using X-ray fluorescence (XRF) and Raman spectroscopy in order to study the material characteristics. This study reports on the result of the analyses based on the novel combination of non-destructive and portable instrumentation, including a handheld XRF spectrometer for obtaining elemental information and a mobile Raman spectrometer for retrieving structural and molecular information on the floor tiles in the Rameyenhof castle and on a second, similar medallion, which is stored in the Rubens House museum in Antwerp (Belgium). The investigated material, majolica, is a type of ceramic, which fascinated many people and potters throughout history by its beauty and colourful appearance. In this study the characteristic major/minor and trace element signature of 16th century Antwerp majolica is determined and the pigments used for the colourful paintings present on the floor are identified. Furthermore, based on the elemental fingerprint of the white glaze, and in particular on the presence of zinc in the tiles – an element that was not used for making 16th century majolica – valuable information about the originality of the chapel floor and the two central medallions is acquired. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
DOI: 10.1016/J.SAB.2014.10.007
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“Active site titration of immobilized beta-galactosidase for the determination of active enzymes”. Jochems P, Mueller T, Satyawali Y, Diels L, Dejonghe W, Hanefeld U, Biochemical engineering journal 93, 137 (2015). http://doi.org/10.1016/J.BEJ.2014.10.007
Abstract: In the present study, an active site titration method is demonstrated, to determine the amount of active enzyme (beta-galactosidase), immobilized on a support. Two types of supports were investigated, viz, amino acrylic resin and a mixed matrix membrane. Furthermore, 2',4'-dinitrophenyl 2-deoxy-2-fluoro-beta-D-galactopyranoside was used as an inhibitor for the active site titration of immobilized beta-galactosidase obtained from Kluyveromyces lactis. Using the active site titration, approximately 8.3 mg of active enzyme was found on 1 g of dried commercially available SPRIN imibond, which is an amino acrylic resin with covalently bound beta-galactosidase obtained from K. lactis. However, this method, in its present form, was not effective on the mixed matrix membranes due to the irreversible partial adsorption of the leaving group (2',4'-dinitrophenolate) by the membrane. This observation implied that it is important to investigate interactions between the support and the used inhibitor and leaving group. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.BEJ.2014.10.007
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“A qualitative model structure sensitivity analysis method to support model selection”. Van Hoey S, Seuntjens P, van der Kwast J, Nopens I, Journal of hydrology 519, 3426 (2014). http://doi.org/10.1016/J.JHYDROL.2014.09.052
Abstract: The selection and identification of a suitable hydrological model structure is a more challenging task than fitting parameters of a fixed model structure to reproduce a measured hydrograph. The suitable model structure is highly dependent on various criteria, i.e. the modeling objective, the characteristics and the scale of the system under investigation and the available data. Flexible environments for model building are available, but need to be assisted by proper diagnostic tools for model structure selection. This paper introduces a qualitative method for model component sensitivity analysis. Traditionally, model sensitivity is evaluated for model parameters. In this paper, the concept is translated into an evaluation of model structure sensitivity. Similarly to the one-factor-at-a-time (OAT) methods for parameter sensitivity, this method varies the model structure components one at a time and evaluates the change in sensitivity towards the output variables. As such, the effect of model component variations can be evaluated towards different objective functions or output variables. The methodology is presented for a simple lumped hydrological model environment, introducing different possible model building variations. By comparing the effect of changes in model structure for different model objectives, model selection can be better evaluated. Based on the presented component sensitivity analysis of a case study, some suggestions with regard to model selection are formulated for the system under study: (1) a non-linear storage component is recommended, since it ensures more sensitive (identifiable) parameters for this component and less parameter interaction; (2) interflow is mainly important for the low flow criteria; (3) excess infiltration process is most influencing when focussing on the lower flows; (4) a more simple routing component is advisable; and (5) baseflow parameters have in general low sensitivity values, except for the low flow criteria. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.JHYDROL.2014.09.052
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“2014 Award for best referee of X-Ray Spectrometry”. Van Grieken R, X-ray spectrometry 43, 311 (2014). http://doi.org/10.1002/XRS.2564
Keywords: Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2564
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“Improved calculation of displacements per atom cross section in solids by gamma and electron irradiation”. Pinera I, Cruz CM, Leyva A, Abreu Y, Cabal AE, van Espen P, Van Remortel N, Interactions With Materials And Atoms 339, 1 (2014). http://doi.org/10.1016/J.NIMB.2014.08.020
Abstract: Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10-90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5-50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20-70%) with respect to the previous studies. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.NIMB.2014.08.020
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“Getting the best from an imperfect detector : an alternative normalisation procedure for quantitative HAADF STEM”. Jones L, Martinez GT, Béché, A, Van Aert S, Nellist PD, Microscopy and microanalysis 20, 126 (2014). http://doi.org/10.1017/S1431927614002359
Keywords: A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
Impact Factor: 1.891
DOI: 10.1017/S1431927614002359
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“Chemistry of precipitation near a limestone building”. Roekens E, Komy Z, Leysen L, Veny P, Van Grieken R, Water, air and soil pollution 38, 273 (1988). http://doi.org/10.1007/BF00280759
Abstract: A total of 82 samples of wet and total deposition were sampled near the limestone cathedral at Mechelen, Belgium, which is presently being affected seriously by air pollution, and at a reference site. Most of these samples were analyzed for 10 major and 7 trace ions in solution and for 15 elements in suspension. It appeared that calcite, released from the building, effectively neutralizes the rainwater in the near vicinity and produces high Ca and bicarbonate concentrations. Heavy metal concentrations are hardly affected by the building.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/BF00280759
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“Ferrihydrite precipitation in groundwater-fed river systems (Nete and Demer river basins, Belgium) : insights from a combined Fe-Zn-Sr-Nd-Pb-isotope study”. Dekov VM, Vanlierde E, Billström K, Gatto Rotondo G, van Meel K, Darchuk L, Van Grieken R, et al, Chemical geology 386, 1 (2014). http://doi.org/10.1016/J.CHEMGEO.2014.07.023
Abstract: Two groundwater-fed river systems (Nete and Demer, Belgium) carry red suspended material that settles on the river bed forming red sediments. The local aquifer that feeds these river systems is a glauconite-rich sand, which provides most of the dissolved Fe to the rivers. The solid component of these systems, i.e., the red suspended material and sediments, has a simple mineralogy (predominantly ferrihydrite), but shows a complex geochemistry pointing out the different processes contributing to the river chemistry: (1) the red sediments have higher transition metal (excluding Cu) and detrital element (e.g., Si, Al, K, Rb, etc.) concentrations than the red suspended matter because of their longer residence time in the river and higher contribution of the background (aquifer) component, respectively; (2) the red suspended material and sediments have inherited their rare earth element (REE) patterns from the aquifer; (3) the origin of Sr present in the red suspended matter and red sediments is predominantly marine (i.e., Quaternary calcareous rocks), but a small amount is geogenic (i.e., from detrital rocks); (4) Pb in both solids originates mostly from anthropogenic and geogenic sources; (5) all of the anthropogenic Pb in the red suspended material and sediments is hosted by the ferrihydrite; (6) Nd budget of the red riverine samples is controlled by the geogenic source and shows little anthropogenic component; (7) the significant Fe- and Zn-isotope fractionations are in line with the previous studies. Their fractionation patterns do not correlate, suggesting that the processes controlling the isotope geochemistry of Fe and Zn are different: oxidation/reduction most likely governs the Fe-isotope fractionation, whereas adsorption/desorption or admixing of anthropogenic sources controls the isotope fractionation of Zn.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.CHEMGEO.2014.07.023
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“A multidimensional indicator set to assess the benefits of WEEE material recycling”. Nelen D, Manshoven S, Peeters JR, Vanegas P, D'Haese N, Vrancken K, Journal of cleaner production 83, 305 (2014). http://doi.org/10.1016/J.JCLEPRO.2014.06.094
Abstract: EU strategies for waste management have long recognized the key role of recycling to move towards sustainable consumption and production. This resulted in a range of regulatory measures, among which the Waste Electrical and Electronic Equipment (WEEE) directive, which sets weight-based targets for recovery, preparation for re-use and recycling. The increasing strategic relevance of the supply of raw materials has, however, spurred a more integrated approach towards resource efficiency. In addition to the prevention of disposal, recycling practices are now also meant to contribute to sustainable materials management by pursuing (i) a higher degree of material cycle closure, (ii) an improved recovery of strategically relevant materials, and (iii) the avoidance of environmental burdens associated with the extraction and refining of primary raw materials. In response to this evolution, this paper reports about the development of an indicator set that allows to quantitatively demonstrate these recycling benefits, hence going further than the weight-based objectives employed in the WEEE directive. The indicators can be calculated for WEEE recycling processes for which information is available on both input and output fractions. It offers a comprehensive framework that aims to support decision making processes on product design, to identify opportunities for the optimization of WEEE End-of-Life scenarios, and to assess the achieved (or expected) results of implemented (or planned) recycling optimization strategies. The paper is illustrated by a case study on the recycling of LCD televisions. (C) 2014 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.JCLEPRO.2014.06.094
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“Methods, fluxes and sources of gas phase alkyl nitrates in the coastal air”. Dirtu AC, Buczyńska AJ, Godoi AFL, Favoreto R, Bencs L, Potgieter-Vermaak SS, Godoi RHM, Van Grieken R, Van Vaeck L, Environmental monitoring and assessment 186, 6445 (2014). http://doi.org/10.1007/S10661-014-3866-7
Abstract: The daily and seasonal atmospheric concentrations, deposition fluxes and emission sources of a few C3C9 gaseous alkyl nitrates (ANs) at the Belgian coast (De Haan) on the Southern North Sea were determined. An adapted sampler design for low- and high-volume air-sampling, optimized sample extraction and clean-up, as well as identification and quantification of ANs in air samples by means of gas chromatography mass spectrometry, are reported. The total concentrations of ANs ranged from 0.03 to 85 pptv and consisted primarily of the nitro-butane and nitro-pentane isomers. Air mass backward trajectories were calculated by the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model to determine the influence of main air masses on AN levels in the air. The shorter chain ANs have been the most abundant in the Atlantic/Channel/UK air masses, while longer chain ANs prevailed in continental air. The overall mean N fluxes of the ANs were slightly higher for summer than those for winter-spring, although their contributions to the total nitrogen flux were low. High correlations between AN and HNO2 levels were observed during winter/spring. During summer, the shorter chain ANs correlated well with precipitation. Source apportionment by means of principal component analysis indicated that most of the gas phase ANs could be attributed to traffic/combustion, secondary photochemical formation and biomass burning, although marine sources may also have been present and a contributing factor.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
DOI: 10.1007/S10661-014-3866-7
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“Optimized energy dispersive X-ray fluorescence analysis of atmospheric aerosols collected at pristine and perturbed Amazon Basin sites”. Arana A, Loureiro AL, Barbosa HMJ, Van Grieken R, Artaxo P, X-ray spectrometry 43, 228 (2014). http://doi.org/10.1002/XRS.2544
Abstract: Elemental composition of aerosols is important to source apportionment studies and to understand atmospheric processes that influence aerosol composition. Energy dispersive X-ray fluorescence spectroscopy was applied for measuring the elemental composition of Amazonian atmospheric aerosols. The instrument used was a spectrometer Epsilon 5, PANalytical B. V., with tridimensional geometry that reduces the background signal with a polarized X-ray detection. The measurement conditions were optimized for low-Z elements, e. g. Mg, Al, Si, that are present at very low concentrations in the Amazon. From Na to K, our detection limits are about 50% to 75% lower than previously published results for similar instrument. Calibration was performed using Micromatter standards, except for P whose standard was produced by nebulization of an aqueous solution of KH2PO4 at our laboratory. The multi-element reference material National Institute of Standards and Technology-2783 (air particulate filter) was used for evaluating the accuracy of the calibration procedure of the 22 elements in our standard analysis routine, and the uncertainty associated with calibration procedures was evaluated. The overall performance of the instrument and validation of our measurements were assessed by comparison with results obtained from parallel analysis using particle-induced X-ray emission and another Epsilon 5 spectrometer. The elemental composition in 660 samples collected at a pristine site in the Amazon Basin and of 1416 samples collected at a site perturbed by land use change was determined. Our measurements show trace elements associated with biogenic aerosols, soil dust, biomass burning, and sea-salt, even for the very low concentrations as observed in Amazonia. Copyright (C) 2014 John Wiley & Sons, Ltd.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2544
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“Examination of historical paintings by state-of-the-art hyperspectral imaging methods : from scanning infra-red spectroscopy to computed X-ray laminography”. Legrand S, Vanmeert F, van der Snickt G, Alfeld M, de Nolf W, Dik J, Janssens K, Heritage science 2, 13 (2014). http://doi.org/10.1186/2050-7445-2-13
Abstract: The development of advanced methods for non-destructive selective imaging of painted works of art at the macroscopic level based on radiation in the X-ray and infrared range of the electromagnetic spectrum are concisely reviewed. Such methods allow to either record depth-selective, element-selective or species-selective images of entire paintings. Camera-based full field methods (that record the image data in parallel) can be discerned next to scanning methods (that build up distributions in a sequential manner by scanning a beam of radiation over the surface of an artefact). Six methods are discussed: on the one hand, macroscopic X-ray fluorescence and X-ray diffraction imaging and X-ray laminography and on the other hand macroscopic Mid and Near Infrared hyper- and full spectral imaging and Optical Coherence Tomography. These methods can be considered to be improved versions of the well-established imaging methods employed worldwide for examination of paintings, i.e., X-ray radiography and Infrared reflectography. Possibilities and limitations of these new imaging techniques are outlined.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1186/2050-7445-2-13
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“Influence of Bridgman process conditions on microstructure and porosity of single crystal Ni-base superalloy CMSX-4”. Matuszewski K, Matysiak H, Jaroszewicz J, de Nolf W, Kubiak K, Kurzydlowski KJ, International journal of cast metals research 27, 329 (2014). http://doi.org/10.1179/1743133614Y.0000000112
Abstract: Synchrotron radiation micro-X-ray fluorescence and micro-X-ray diffraction analysis, micro-computed tomography and transmission electron microscopy were used to investigate the microstructure of turbine blades made of a second generation nickel based superalloy CMSX-4 manufactured by investment casting process via Bridgman technique. The dependence of microstructure on process parameters, among others, on the withdrawal rate was analysed. The results set the stage for optimising the microstructure of the blades in terms of their mechanical properties.
Keywords: A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1179/1743133614Y.0000000112
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“Model-based scenario analysis of the impact of remediation measures on metal leaching from soils contaminated by historic smelter emissions”. Joris I, Bronders J, van der Grift B, Seuntjens P, Journal of environmental quality 43, 859 (2014). http://doi.org/10.2134/JEQ2013.07.0287
Abstract: A spatially distributed model for leaching of Cd from the unsaturated zone was developed for the Belgian-Dutch transnational Kempen region. The model uses as input land-use maps, atmospheric deposition data, and soil data and is part of a larger regional model that simulates transport of Cd in soil, groundwater, and surface water. A new method for deriving deposition from multiple sites was validated using soil data in different wind directions. Leaching was calculated for the period 1890 to 2010 using a reconstruction of metal loads in the region. The model was able to reproduce spatial patterns of concentrations in soil and groundwater and predicted the concentration in shallow groundwater adequately well for the purpose of evaluating management options. For 42% of the data points, measurements and calculations were within the same concentration class. The model was used for forecasting under a reference scenario, an autonomous development scenario including climate change, and a scenario with implementation of remediation measures. The impact of autonomous development (under the most extreme scenario of climatic change) amounted to an increase of 10% in cumulative Cd flux after 100 yr as compared with the reference scenario. The impact of remediation measures was mainly local and is less pronounced (i.e., only 3% change in cumulative flux at the regional scale). The integrated model served as a tool to assist in developing management strategies and prioritization of remediation of the wide-spread heavy metal contamination in the region.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.2134/JEQ2013.07.0287
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“Hyperfine electric parameters calculation in Si samples implanted with 57Mn\rightarrow57Fe”. Abreu Y, Cruz CM, Pinera I, Leyva A, Cabal AE, van Espen P, Van Remortel N, Physica: B : condensed matter 445, 1 (2014). http://doi.org/10.1016/J.PHYSB.2014.03.028
Abstract: Nowadays the electronic structure calculations allow the study of complex systems determining the hyperfine parameters measured at a probe atom, including the presence of crystalline defects. The hyperfine electric parameters have been measured by Mossbauer spectroscopy in silicon materials implanted with Mn-57 ->,Fe-57 ions, observing four main contributions to the spectra. Nevertheless, some ambiguities still remain in the Fe-57 Mossbauer spectra interpretation in this case, regarding the damage configurations and its evolution with annealing. In the present work several implantation environments are evaluated and the Fe-57 hyperfine parameters are calculated. The observed correlation among the studied local environments and the experimental observations is presented, and a tentative microscopic description of the behavior and thermal evolution of the characteristic defects local environments of the probe atoms concerning the location of vacancies and interstitial Si in the neighborhood of Fe-57 ions in substitutional and interstitial sites is proposed. (C) 2014 Elsevier B.V. All rights reserved
Keywords: A1 Journal article; Particle Physics Group; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.PHYSB.2014.03.028
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“Use of online water quality monitoring for assessing the effects of WWTP overflows in rivers”. Boënne W, Desmet N, Van Looy S, Seuntjens P, Environmental science : processes &, impacts 16, 1510 (2014). http://doi.org/10.1039/C3EM00449J
Abstract: The effects on river water quality of sewer overflows are not well known. Since the duration of the overflow is in the order of magnitude of minutes to hours, continuous measurements of water quality are needed and traditional grab sampling is unable to quantify the pollution loads. The objective of this paper was to demonstrate the applicability of high frequency measurements for assessing the impacts of waste water treatment plants on the water quality of the receiving surface water. In our in situ water quality monitoring setup, two types of multiparameter sensors mounted on a floating fixed platform were used to determine the dynamics of dissolved oxygen, specific conductivity, ammonium-N, nitrate-N and dissolved organic carbon downstream of a waste water treatment plant (WWTP), in combination with data on rainfall, river discharge and WWTP overflow discharge. The monitoring data for water quantity and water quality were used to estimate the pollution load from waste water overflow events and to assess the impact of waste water overflows on the river water quality. The effect of sewer overflow on a small river in terms of N load was shown to be significant. The WWTP overflow events accounted for about 1/3 of the river discharge. The NH4-N loads during overflow events contributed 29% and 21% to the August 2010 and June 2011 load, respectively, in only 8% and 3% of the monthly time span. The results indicate that continuous monitoring is needed to accurately represent the effects of sewer overflows in river systems.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1039/C3EM00449J
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