“Kinetics of iron(II) oxidation in seawater of various pH : reply”. Roekens EJ, Van Grieken RE, Marine chemistry 15, 281 (1984). http://doi.org/10.1016/0304-4203(84)90025-2
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0304-4203(84)90025-2
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“Laboratory-scale membrane up-concentration and co-anaerobic digestion for energy recovery from sewage and kitchen waste”. Nguyen Thi Tuyet, Nguyen Phuoc Dan, Nguyen Cong Vu, Nguyen Le Hoang Trung, Bui Xuan Thanh, De Wever H, Goemans M, Diels L, Water science and technology 73, 597 (2016). http://doi.org/10.2166/WST.2015.535
Abstract: This study assessed an alternative concept for co-treatment of sewage and organic kitchen waste in Vietnam. The goal was to apply direct membrane filtration for sewage treatment to generate a permeate that is suitable for discharge. The obtained chemical oxygen demand (COD) concentrations in the permeate of ultrafiltration tests were indeed under the limit value (50 mg/L) of the local municipal discharge standards. The COD of the concentrate was 5.4 times higher than that of the initial feed. These concentrated organics were then co-digested with organic kitchen wastes at an organic loading rate of 2.0 kg VS/m(3).d. The volumetric biogas production of the digester was 1.94 +/- 0.34 m(3)/m(3).d. The recovered carbon, in terms of methane gas, accounted for 50% of the total carbon input of the integrated system. Consequently, an electrical production of 64 Wh/capita/d can be obtained when applying the proposed technology with the current wastes generated in Ho Chi Minh City. Thus, it is an approach with great potential in terms of energy recovery and waste treatment.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.2166/WST.2015.535
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“Laser microprobe mass analysis of individual Antarctic aerosol particles”. Wouters L, Artaxo P, Van Grieken R, International journal of environmental analytical chemistry 38, 427 (1990). http://doi.org/10.1080/03067319008026946
Abstract: Individual Antarctic aerosol particles in the 0.54 μm aerodynamic diameter range were analyzed using laser microprobe mass analysis (LAMMA). As they were sampled near the ocean, the great majority consists of seasalt, transformed to various degrees in the atmosphere. Major alterations include the association of an excess sulfate and methane sulfonate with these particles. Sulfate-rich particles containing little or no chloride were found mostly in the smallest size fraction (0.51 μm), where they account for some 5% of all particles: they are most likely highly transformed seasalt. Aluminosilicates, on the other hand, only appear among the coarser particles: they represent 2% of the particulates in the 24 μm range. The remainder of the aerosol consists of organic, Fe-rich, K-rich and Zn-rich particles. The latter groups have very low abundances: always less than 1% of the population of the impactor stage(s) onto which they were collected.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/03067319008026946
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“Leaching of nutrients and trace metals from aerosol samples: a comparison between a re-circulation and an ultrasound system”. Eyckmans K, Zhang J, de Hoog J, Joos P, Van Grieken R, International journal of environmental analytical chemistry 80, 227 (2001). http://doi.org/10.1080/03067310108044372
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/03067310108044372
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“Main conclusions from VIDRIO EU research programme on the determination of conditions to prevent weathering of ancient stained glass windows and recommendations for end-users and practitioners”. Pallot-Frossard I, Bernardi A, Van Grieken R, Rölleke S, Verità, M, Rivista della Stazione sperimentale del vetro , 75 (2005)
Keywords: A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Major ionic species in size-segregated aerosols and associated gaseous pollutants at a coastal site on the Belgian North Sea”. Horemans B, Krata A, Buczyńska AJ, Dirtu AC, van Meel K, Van Grieken R, Bencs L, Journal of environmental monitoring 11, 670 (2009). http://doi.org/10.1039/B815059A
Abstract: The chemical composition of airborne particulate matter (PM) was studied at a coastal region near De Haan, Belgium, during a winterspring and a summer campaign in 2006. The major ionic components of size-segregated PM, i.e. NH4+, Na+, K+, Mg2+, Ca2+, Cl-, NO3-, and SO42-, and related gaseous pollutants (SO2, NO2, NH3, HNO2, and HNO3) were monitored on a daily basis. Air mass backward-trajectories aided in evaluating the origin of the diurnal pollution load. This was characterised with high levels of fine secondary inorganic aerosols (NH4+, NO3-, and non-sea-salt SO42-) for continental air masses, and sea-salts as the dominant species in coarse maritime aerosols. Seasonal variations in the level of major ionic species were explained by weather conditions and the release of dimethyl sulfide from marine regions. This species was responsible for an increased sea-salt Cl- depletion during summer (56%), causing elevated levels of HCl. Neutralisation ratios for the coarse fraction (0.60.8) suggested a depleted NH4+ level, while that for the fine fraction (1.11.3) had definitely an excess of NH4+, formed by the neutralisation of HCl. The results of factor analysis and the extent of SO2 oxidation indicated that the major ionic species originated from both local and remote sources, classifying the Belgian coastal region as a combined sourcereceptor area of air pollution.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/B815059A
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“Metal pollution and selenium distributions in soils and grass near a non-ferrous plant”. Robberecht H, Deelstra H, vanden Berghe D, Van Grieken R, The science of the total environment 29, 229 (1983). http://doi.org/10.1016/0048-9697(83)90093-1
Abstract: Multi-element analysis results of direct energy-dispersive X-ray fluorescence of soil samples taken in the vicinity of a non-ferrous plant in Antwerp are reported. High concentrations of Pb, Cu, Zn, As and Se are found in nearby residential areas, especially in top-soil layers. Selenium pollution appears not to be leached significantly to lower soil horizons, but it is available for uptake by rye-grass, in which toxic levels are found. Results are compared to literature data. Hydride generation atomic absorption spectrometry proved to be unsuitable for direct analysis of the heavily contaminated soils.
Keywords: A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0048-9697(83)90093-1
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“A microanalytical study of the gills of aluminium-exposed rainbow trout (Salmo gairdneri)”. Goossenaerts C, Van Grieken R, Jacob W, Witters H, Vanderborght O, International journal of environmental analytical chemistry 34, 227 (1988). http://doi.org/10.1080/03067319808026840
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/03067319808026840
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“Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces”. Sun J, Li Y, Karaaslan Y, Sevik C, Chen Y, Journal Of Applied Physics 130, 035301 (2021). http://doi.org/10.1063/5.0049662
Abstract: The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1/3(1 (2) over bar 10) and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface. Published under an exclusive license by AIP Publishing.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
DOI: 10.1063/5.0049662
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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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“Morphology and the chemical make-up of the inorganic components of black corals”. Nowak D, Florek M, Nowak J, Kwiatek W, Lekki J, Chevallier P, Hacura A, Wrzalik R, Ben-Nissan B, Van Grieken R, Kuczumow A, Materials science and engineering: part C: biomimetic materials 29, 1029 (2009). http://doi.org/10.1016/J.MSEC.2008.08.028
Abstract: Black corals (Cnidaria, Antipatharia) from three different sources were investigated with the aim of detecting inorganic components and their morphology. In general, the skeleton of black corals was composed of the chitin fibrils admixed with peptides and the chitin presence was confirmed by the X-ray diffraction (XRD), Fourier Transformed Infrared Spectrometry (FTIR) and microRaman Microscopy, the latter giving the opportunity of tracing single fibrils and their location. The composition and concentrations of the inorganic components of the black corals were measured, using a scanning electron microprobe and micro-Particle Induced X-ray Emission (µ-PIXE). The application of such instruments enabled the estimation of the constituent distributions in a microscale. The mapping option was the most useful technique of making analyses in these studies, just to reveal the composition of chamber-like cells. Analysis of the morphology and microstructure showed that there were three distinct regions within the coral: a core and the cells encircled with adjacent interface gluing strips. The majority of the elements analyzed were selectively distributed and segregated in a striking way in mentioned distinctive zones of the skeleton and it was detected for the first time. The core area was characterized by the relatively elevated concentrations of Ca. The measurements gave extremely clear images of the distribution of particular elements in the skeletal tissue, with I, Ca, K and Fe much more concentrated in the gluing zones, while C, N, Na and Mg present in the interiors of particular skeletal cells. The distribution of some elements (Mg, Fe) and some compounds (chitin) and functional groups (SS, CI) allows differentiating the biological and mechanical functions of particular fragments of the rods. The kinds of elements and their concentrations measured were essentially in compliance with rare data available in the literature. The Raman technique gave the additional qualitative information about the structure of gluing zone and the chitin fibrils and surrounding matrix inside the cell interior.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.MSEC.2008.08.028
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“Nanosecond-pulsed dielectric barrier dischargeinduced antitumor effects propagate through depth of tissue via intracellular signaling”. Ranieri P, Shrivastav R, Wang M, Lin A, Fridman G, Fridman AA, Han L-H, Miller V, Plasma medicine 7, 283 (2017). http://doi.org/10.1615/PLASMAMED.2017019883
Abstract: Studies using xenograft mouse models have shown that plasma applied to the skin overlying tumors results in tumor shrinkage. Plasma is considered a nonpenetrating treatment; however, these studies demonstrate plasma effects that occur beyond the postulated depth of physical penetration of plasma components. The present study examines the propagation of plasma effects through a tissue model using three-dimensional, cell-laden extracellular matrices (ECMs). These ECMs are used as barriers against direct plasma penetration. By placing them onto a monolayer of target cancer cells to create an in-vitro analog to in-vivo studies, we distinguished between cellular effects from direct plasma exposure and cellular effects due to cell-to-cell signaling stimulated by plasma. We show that nanosecond-pulsed dielectric barrier discharge plasma treatment applied atop an acellular barrier impedes the externalization of calreticulin (CRT) in the target cells. In contrast, when a barrier is populated with cells, CRT externalization is restored. Thus, we demonstrate that plasma components stimulate signaling among cells embedded in the barrier to transfer plasma effects to the target cells.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1615/PLASMAMED.2017019883
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“A new method to compensate for counting losses due to system dead time”. Karabidak SM, Čevik U, Kaya S, Nuclear instruments and methods in physics research : A: accelerators, spectrometers, detectors and associated equipment 603, 361 (2009). http://doi.org/10.1016/J.NIMA.2009.02.005
Abstract: Determination of count losses and pile-up pulse effects in quantitative and qualitative analysis became a vital step in various analyses. Therefore, compensating for counting losses is of importance. These counting losses are due to the pulse pile-up, paralyzable and non-paralyzable system dead time or a combination of these mechanisms. In this work, a new method is suggested for the correction of dead time losses resulting from the above mechanisms. For this purpose, a source code was developed. It was found that the peaking time was an important parameter over system dead time. The method suggested seems to be more effective even at high count rate. (C) 2009 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.NIMA.2009.02.005
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“Oszklenie ochronne i jego wpływ na średniowieczne okna witrazowe: z perspektywy chemii atmosfery: studium przypadku kaplica Sainte Chapelle w Paryzu”. Kontozova V, Godoi R, Krata A, Van Grieken R, Analityka , 20 (2007)
Keywords: A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Particulate matter and gaseous pollutants in residences in Antwerp, Belgium”. Stranger M, Potgieter-Vermaak SS, Van Grieken R, The science of the total environment 407, 1182 (2009). http://doi.org/10.1016/J.SCITOTENV.2008.10.019
Abstract: This comprehensive study, a first in Flanders, Belgium, aimed at characterizing the residential indoor air quality of subgroups that took part in the European Community Respiratory Health Survey (ECRHS I1991 and ECHRS II1996) questionnaire-based asthma and related illnesses studies. This pilot study aimed at the evaluation of particulate matter and various inorganic gaseous compounds in residences in Antwerp. In addition personal exposure to the gaseous compounds of one individual per residence was assessed. The main objective was to obtain some base-line pollutant levels and compare these with studies performed in other cities, to estimate the indoor air quality in residences in Antwerp. Correlations between the various pollutant levels, indoor:outdoor ratios and the micro-environments of each residence were investigated. This paper presents results on indoor and ambient PM1, PM2.5 and PM10 mass concentrations, its elemental composition in terms of K, Ca, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, Br, Pb, Al, Si, S and Cl and the water-soluble ionic concentrations in terms of SO42−, NO32−, Cl−, NH4+ K+, Ca2+. In addition, indoor, ambient and personal exposure levels of the gases NO2, SO2, and O3 were determined. Elevated indoor:outdoor ratios were found for NO2 in residences containing gas stoves. In smoker's houses increased PM concentrations of 58 and 43% were found for the fine and coarse fractions respectively. Contrary to the fact that all I/O ratios of the registered elements in each individual house were significantly correlated to each other, no correlation could be established between the I/O ratios of the different houses, thus indicating a unique micro-environment for each residence. Linear relationships between the particulate matter elemental composition, SO2 and O3 levels indoors and outdoors could be established. No linear relationships between indoor and outdoor NO2 and particulate mass concentrations were found.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.SCITOTENV.2008.10.019
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“Preconcentration methods for the analysis of liquid samples by X-ray fluorescence techniques”. Marguí, E, Van Grieken R, Fontàs C, Hidalgo M, Queralt I, Applied spectroscopy reviews 45, 179 (2010). http://doi.org/10.1080/05704920903584198
Abstract: This article gives an overview of the state-of-the-art of multi-element and single-element preconcentration procedures prior to X-ray fluorescence (XRF) analysis of liquid samples. Many of these preconcentration methods were developed long ago and the purpose of this review is to present some new efficient variations of these methods and new techniques extending the possibilities of XRF for liquid solutions analysis. In addition, trends and future perspectives in this domain are also commented on and discussed in the last section of the review.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/05704920903584198
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“Preliminary experiment of total reflection x-ray fluorescence using two glancing x-ray beams excitation”. Tsuji K, Sato T, Wagatsuma K, Claes M, Van Grieken R, The review of scientific instruments 70, 1621 (1999). http://doi.org/10.1063/1.1149687
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1063/1.1149687
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“Quantification of boron in cells for evaluation of drug agents used in boron neutron capture therapy”. Verlinden B, Van Hoecke K, Aerts A, Daems N, Dobney A, Janssens K, Cardinaels T, Journal Of Analytical Atomic Spectrometry 36, 598 (2021). http://doi.org/10.1039/D0JA00456A
Abstract: Boron neutron capture therapy (BNCT) is an extensively studied radiotherapeutic strategy for cancer treatment. BNCT is based on irradiation of malignant tumour cells with neutrons after uptake of a B-10 containing molecule. Alpha particles, locally produced by neutron irradiation kill the cancer cells. Important for ongoing research regarding cellular uptake and cytotoxicity of a large variety of B-10 containing molecules is the accurate determination of boron concentrations in cell cultures. In this work, the sample preparation for quantitative inductively coupled plasma mass spectrometry (ICP-MS) analysis on cell cultures was optimized. By making use of acid digestion combined with UV digestion, low detection limits (0.4 mu g L-1) and full recoveries of boron could be achieved while measurements were free of spectral and non-spectral interferences. Finally, cell-associated boron in the form of 4-borono-l-phenylalanine (l-BPA) in vascular endothelial cell cultures could be determined with ICP-MS as (1.26 +/- 0.10) x 10(9) boron atoms per cell. The developed method can prove its importance for further BNCT research and elemental analysis of cell cultures.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.379
DOI: 10.1039/D0JA00456A
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“Die risikoprofiel van Pb en Cr in stedelike padstof”. Potgieter-Vermaak S, Van Grieken R, Potgieter H, Litnet akademies : 'n joernaal vir die geesteswetenskappe 9, 1 (2012)
Abstract: The risk profile of Cr and Pb in urban road deposited sediment Exponential urbanisation and industrial growth occur on a global scale and result in an ecological burden, of which one important part is pollution. It is well known that the extent of air pollution has escalated over the past two decades in several parts of the world, despite mitigating measures and legislation. Current research points to the fact that air pollution in urban and industrial areas is substantially different from that found in rural areas. Road dust (RD) contributes up to 35% of airborne particulate matter due to resuspension thereof, and poses a health concern due to carcinogenic and toxic components potentially present in the micron-sized fractions. Although literature does report on the concentrations of trace, toxic metals and metalloids present in RD (Hooker and Nathanail 2006), the molecular make-up of particulates generated due to the resuspension of the RD is not well documented. In vitro and animal toxicological studies have confirmed that the chemical composition of inhaled particles plays a major role in its toxic, genotoxic and carcinogenic mechanisms, but the component-specific toxic effects are still not understood. Transition metals binding to air particle matter can result in reactive oxygen species in the human body (particularly in the lungs), and this is a significant risk, especially for vulnerable population groups like elderly people, children and terminally ill patients. The characterisation of the molecular composition of the fine fraction is evidently of importance for public health. During an earlier study, road dust from an inner-city environment in the UK was collected and partially characterised (Barrett e.a. 2010). These same-size fractions were analysed for their elemental concentrations, using X-ray Fluorescence Spectrometry (XRFS) and Inductively Coupled Plasma Mass Spectrometry (ICP-MS). In addition, single-particle analysis was performed on the different fractions by means of Computer Controlled Electron Probe X-ray Micro Analysis (CC-EPXMA) and their molecular structure probed by studying elemental associations. These findings were correlated with Micro Raman Spectroscopy (MRS) results. It was found that the fine fraction (<38 μm) had the highest Pb (238 ppm) and Cr (171 ppm) concentrations. The CC-EPXMA data showed >50% association of Cr-rich particles with Pb and the MRS data showed that the Cr was mostly present as lead chromate and therefore in the Cr(VI) oxidation state. Concentrations of both Pb and Cr decreased substantially (279 (<38 mm) 13 ppm (<1mm); 171 (<38 mm) 91 ppm (<1mm) respectively) in the larger fractions. Apart from rather alarmingly high concentrations of oxidative stressors (Cu, Fe, Mn), the carcinogenic and toxic potential of the inhalable fraction is evident. Preliminary bioaccessibility data indicated that both Cr and Pb are readily
Keywords: A2 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Ruthenium staining as an alternative preparation method for automated EPMA of individual biogenic and organic particles”. Worobiec A, Kaplinski A, Van Grieken R, X-ray spectrometry 34, 245 (2005). http://doi.org/10.1002/XRS.807
Keywords: A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.807
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“Sedimentation rate of the floodplain sediments of the Yamuna river basin (tributary of the river Ganges, India) by using <tex>210Pb</tex>, and <tex>137Cs</tex>, techniques”. Saxena DP, Joos P, Van Grieken R, Subramanian V, Journal of radioanalytical and nuclear chemistry 251, 399 (2002). http://doi.org/10.1023/A:1014821906600
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1023/A:1014821906600
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“Sources and transport of urban and biomass burning aerosol black carbon at the South-West Atlantic coast”. Evangelista H, Maldonado J, Godoi RHM, Pereira EB, Koch D, Tanizaki-Fonseca K, Van Grieken R, Sampaio M, Setzer A, Alencar A, Gonçalves SC, Journal of atmospheric chemistry 56, 225 (2007). http://doi.org/10.1007/S10874-006-9052-8
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/S10874-006-9052-8
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“Sub-part-per-billion determination of total dissolved selenium and selenite in environmental waters by X-ray fluorescence spectrometry”. Robberecht HJ, Van Grieken RE, Analytical chemistry 52, 449 (1980). http://doi.org/10.1021/AC50053A017
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/AC50053A017
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“Temperature-dependent phonon spectrum of transition metal dichalcogenides calculated from the spectral energy density: Lattice thermal conductivity as an application”. Mobaraki A, Sevik C, Yapicioglu H, Cakir D, Gulseren O, Physical review B 100, 035402 (2019). http://doi.org/10.1103/PHYSREVB.100.035402
Abstract: Predicting the mechanical and thermal properties of quasi-two-dimensional (2D) transition metal dichalco-genides (TMDs) is an essential task necessary for their implementation in device applications. Although rigorous density-functional-theory-based calculations are able to predict mechanical and electronic properties, mostly they are limited to zero temperature. Classical molecular dynamics facilitates the investigation of temperature-dependent properties, but its performance highly depends on the potential used for defining interactions between the atoms. In this study, we calculated temperature-dependent phonon properties of single-layer TMDs, namely, MoS2, MoSe2, WS2, and WSe2, by utilizing Stillinger-Weber-type potentials with optimized sets of parameters with respect to the first-principles results. The phonon lifetimes and contribution of each phonon mode in thermal conductivities in these monolayer crystals are systematically investigated by means of the spectralenergy-density method based on molecular dynamics simulations. The obtained results from this approach are in good agreement with previously available results from the Green-Kubo method. Moreover, detailed analysis of lattice thermal conductivity, including temperature-dependent mode decomposition through the entire Brillouin zone, shed more light on the thermal properties of these 2D crystals. The LA and TA acoustic branches contribute most to the lattice thermal conductivity, while ZA mode contribution is less because of the quadratic dispersion around the Brillouin zone center, particularly in MoSe2 due to the phonon anharmonicity, evident from the redshift, especially in optical modes, by increasing temperature. For all the considered 2D crystals, the phonon lifetime values are compelled by transition metal atoms, whereas the group velocity spectrum is dictated by chalcogen atoms. Overall, the lattice thermal conductivity is linearly proportional with inverse temperature.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVB.100.035402
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“The Robin problem for the Helmholtz equation in a starlike planar domain”. Caratelli D, Gielis J, Natalini P, Ricci PE, Tavkhelidze I, Georgian mathematical journal 18, 465 (2011). http://doi.org/10.1515/GMJ.2011.0031
Abstract: The interior and exterior Robin problems for the Helmholtz equation in starlike planar domains are addressed by using a suitable Fourier-like technique. Attention is in particular focused on normal-polar domains whose boundaries are defined by the so-called superformula introduced by J. Gielis. A dedicated numerical procedure based on the computer algebra system Mathematica© is developed in order to validate the proposed approach. In this way, highly accurate approximations of the solution, featuring properties similar to the classical ones, are obtained. The computed results are found to be in good agreement with the theoretical findings on Fourier series expansion presented by L. Carleson.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1515/GMJ.2011.0031
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“Trace metal analysis of water containing humic substances by X-ray fluorescence”. Vanderborght BM, Van Grieken RE, International journal of environmental analytical chemistry 5, 221 (1978). http://doi.org/10.1080/03067317808071147
Abstract: Chelation by oxine followed by adsorption on activated carbon results in the efficient collection of many trace metal ions, independent of the trace metal concentration and of high alkali and alkaline earth ion abundances. Preconcentration factors around 10000 are often achieved. When this preconcentration procedure is combined with energy-dispersive X-ray fluorescence, accurate and precise analysis can be carried out, as was proven in several experiments. The technique can also be applied for the determination of divalent ions in natural waters containing up to 10 ppm of humic substances. Trivalent ions can quantitatively be collected from natural water provided suKicient activated carbon is added. Omitting the oxine chelation prior to the activated carbon adsorption step still results in collection of a sometimes important fraction of the trace metal ions from natural waters. This is related to organically bound or colloidal forms of the trace metals.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/03067317808071147
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“Transport and deposition of airborne pollutants in exhibition areas located in historical buildings: study in Wawel Castle Museum in Cracow, Poland”. Worobiec A, Samek J, Krata A, van Meel K, Krupińska B, Stefaniak EA, Karaszkiewicz P, Van Grieken R, Journal of cultural heritage 11, 354 (2010). http://doi.org/10.1016/J.CULHER.2009.11.009
Abstract: Historical buildings and castles that have been turned nowadays into museums, as an exhibition area for precious cultural heritage (CH) items, need more attention since they are CH objects by themselves. Moreover, the preservation techniques require often, significant interventions; however such changes are not always possible or are very limited. The aim of the present study was to investigate the influence of outdoor air pollution on the composition of particulate matter and gases inside the museum of Wawel Castle in Cracow, Poland. During this study a combination of micro and trace analysis techniques were applied, including energy dispersive X-ray fluorescence (EDXRF) and electron probe microanalysis (EPMA). An intensive transport of air pollutants coupled with accumulation of the particles inside the museum was noticed (considerably higher in winter than summer). A high content of carbon and organic matter agglomerated with inorganic particles was determined. Those particles are of special concern because of their adhesive properties and reactivity. It was also noted that the conditions inside the museum favour the reaction of the particles with gaseous pollutants. It was especially the case for nitrate particles.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1016/J.CULHER.2009.11.009
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“Use of theoretical accurate binary influence coefficients with Tertian's equation in X-ray fluorescence analysis of silicate rocks in borax glass beads”. Muia LM, Van Grieken R, X-ray spectrometry 19, 141 (1990). http://doi.org/10.1002/XRS.1300190311
Abstract: A study of the suitability of the Tertian algorithm using new accurate binary influence coefficients and a comparison standard for x-ray fluorescence analysis of geological materials prepared as borax glass beads was performed. The algorithm was found to give satisfactory results for the analysis of four major components in geological materials. Even in the worst case, when there is a factor of 20 difference in the concentration in the specimen and a comparison standard, the algorithm gives results which differ from the true results by a factor of about 2. This makes the algorithm attractive as a diagnostic tool in analyses of unknown specimens and in the identification of appropriate standards. The binary coefficients are easily calculated so that the algorithm can be implemented on a minicomputer.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.1300190311
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“Validation of a supervisory control system for energy savings in membrane bioreactors”. Huyskens C, Brauns E, van Hoof E, Diels L, de Wever H, Water research 45, 1443 (2011). http://doi.org/10.1016/J.WATRES.2010.11.001
Abstract: The application of fixed operational protocols and settings for membrane bioreactors (MBR) often leads to suboptimal filtration conditions due to the dynamic nature of mixed liquor characteristics. With regard to process optimization and energy savings, the potential benefits of a dynamic control system, enabling to adapt fouling control actions (ACS outputs) in an automated way to the actual mixed liquor fouling propensity, are thus obvious. In this paper, the pilot-scale validation of such an advanced control system (ACS) is elaborated. A specific on-line fouling measurement method, the MBR-VFM (VITO Fouling Measurement), was used for the evaluation of the mixed liquors reversible fouling propensity, which was used as a primary ACS input parameter. A first series of tests with a gradual increase in complexity of the selected input and output parameters indicated the functionality of the ACS and demonstrated a substantial reduction of aeration, however sometimes at the expense of a higher fouling rate. The ACS was further fine-tuned and subsequently tested for a longer period under more dynamic operating conditions. A significant correlation was found between the reversible fouling potential measured by the MBR-VFM and the on-line permeability, indicating that the MBR-VFM is a suitable ACS input. Furthermore, an average 22% reduction in aeration flow to the membranes could be achieved without any obvious negative effect on filtration performance. This indicates that this approach is promising to optimize energy consumption in MBRs.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.WATRES.2010.11.001
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“Detection of two-dimensional small polarons at oxide interfaces by optical spectroscopy”. Tang CS, Zeng S, Wu J, Chen S, Naradipa MA, Song D, Milošević, MV, Yang P, Diao C, Zhou J, Pennycook SJ, Breese MBH, Cai C, Venkatesan T, Ariando A, Yang M, Wee ATS, Yin X, Applied physics reviews 10, 031406 (2023). http://doi.org/10.1063/5.0173910
Abstract: Two-dimensional (2D) perovskite oxide interfaces are ideal systems to uncover diverse emergent properties, such as the arising polaronic properties from short-range charge-lattice interactions. Thus, a technique to detect this quasiparticle phenomenon at the buried interface is highly coveted. Here, we report the observation of 2D small-polarons at the LaAlO3/SrTiO3 conducting interface using high-resolution spectroscopic ellipsometry. First-principles investigations show that interfacial electron-lattice coupling mediated by the longitudinal phonon mode facilitates the formation of these polarons. This study resolves the long-standing question by attributing the formation of interfacial 2D small polarons to the significant mismatch between experimentally measured interfacial carrier density and theoretical values. Our study sheds light on the complexity of broken periodic lattice-induced quasi-particle effects and its relationship with exotic phenomena at complex oxide interfaces. Meanwhile, this work establishes spectroscopic ellipsometry as a useful technique to detect and locate optical evidence of polaronic states and other emerging quantum properties at the buried interface.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 15
DOI: 10.1063/5.0173910
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