“Damage and molecular changes under a laser beam in SEM-EDX/MRS interface : a case study on iron-rich particles”. Worobiec A, Darchuk L, Brooker A, Potgieter H, Van Grieken R, Journal of Raman spectroscopy 42, 808 (2011). http://doi.org/10.1002/JRS.2789
Abstract: The control of damage to individual environmental particles by a laser beam during Raman spectroscopy carried out in ambient air is generally well understood. The nature and control of damage under vacuum conditions (e.g. in the scanning electron microscopy with energy X-ray detection combined with micro-Raman spectroscopyinterfaced SEM-EDX/MRS) are more complex and less well comprehended. The physical and chemical processes that affect the damage caused to small particles by lasers still remain somewhat unclear, but certainly the atmosphere (vacuum/air) and the beam intensity have very significant influences. Furthermore, it has been determined that some particles (e.g. haematite), although stable under an electron beam, are damaged by the laser beam, hampering their analysis. Additionally, when simultaneous analyses by SEM/EDX and MRS are considered, the correct choice of the collection surface plays a crucial role. As a result, the following collection substrates were tested to determine their influence on the laser beam damage process to the particle: silver and aluminium foils and silicon wafers. A test study was performed using artificial examples of haematite (Fe2O3) particles. Exposure of Fe2O3 particles in vacuum to 514- and 785-nm laser radiation often leads to their melting, transformation and evaporation. The dependence of the damage caused by the laser beam on the particle structure is reported here. Molecular and crystallographic changes have also been revealed. Formation of magnetite (as an effect of re-crystallisation) and Raman inactive structures was detected.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1002/JRS.2789
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“Direct reagentless detection of the affinity binding of recombinant His-tagged firefly luciferase with a nickel-modified gold electrode”. Vagin MY, Trashin SA, Beloglazkina EK, Majouga AG, Mendeleev communications 25, 290 (2015). http://doi.org/10.1016/J.MENCOM.2015.07.021
Abstract: The direct reagentless electrochemical detection of recombinant firefly luciferase binding with a gold electrode modified with nickel complex of 1,16-di[4-(2,6-dihydroxycarbonyl)pyridyl]-1,16-dioxa-8,9-dithiahexadecane has been carried out.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.MENCOM.2015.07.021
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“Dispersal of suspended matter in Makasar Strait and the Flores Basin”. Eisma D, Kalf J, Karmini M, Mook WG, Van Put A, Bernard P, Van Grieken R, Netherlands journal of sea research 24, 383 (1989). http://doi.org/10.1016/0077-7579(89)90116-6
Abstract: In November 1984 in Makasar and the Flores Basin water samples were collected (T, S, dissolved O2, total CO2), bottom samples (sediment composition) and suspended matter (particle composition, particle size). A sediment trap was moored in the Flores Basin at 4600 m depth for nearly four months, covering the dry season. In the Flores Basin there are indications for bottom flow resuspending bottom material or preventing suspended material from settling; in Makasar Strait there is probably inflow of deep water both from the south and from the north, resulting in a very slow bottom water flor. Bottom deposits in Makasar Strait and the Flores Basin are predominantly terrigenous, with an admixture of organic carbonate and silica (mostly coccoliths). Volcanic material is primarily present near to the volcanoes in the south and reaches the deeper basins by slumping. In the suspended matter no volcanic particles and little planktonic material were found, although the latter form 10 to 15% of the top sediment and of the material deposited in the sediment trap. In suspension particles with a large concentration of tin (Sn) were found associated mainly with iron. They probably come from northern Kalimantan or northern Sulawesi. Suspended matter concentrations were mainly less than 0.5 mg·dm−3, only off the Mahakam river mouth were concentrations higher than 1 mg·dm−3. Particle size was erratic because of the variable composition of the coarser particles in suspension. Organic matter concentrations in suspension (in mg·dm−3) roughly follow the distribution of total suspended matter but organic content (in %) of the suspended matter does not show any trends. All organic matter in suspension is of marine origin except in the Mahakam river and estuary. Deposition rates, as estimated from the sediment trap results, are 150 mg·cm−2·a−1 for the total sediment, 26 mg·cm−2·a−1 for carbonate and 13 mg·cm−2·a−1 for organic matter. Flocs and fibres in suspension were only found in and below the Mahakam river plume that reaches ca 400 km from the river mouth to the southeast, and in surface waters associated with plankton (diatoms). The formation of these flocs (broken-up macroflocs or marine snow) is primarily related to particle concentration, turbulence, and the presence of organisms that produce sticky material or glue particles together.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0077-7579(89)90116-6
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“Editorial : introducing Dr Markowicz as X-Ray Spectrometry's new associate editor for Europe”. Van Grieken R, X-ray spectrometry 42, 175 (2013). http://doi.org/10.1002/XRS.2447
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.2447
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“Effective carbon and nutrient treatment solutions for mixed domestic-industrial wastewater in India”. Saha S, Badhe N, Seuntjens D, Vlaeminck SE, Biswas R, Nandy T, Water science and technology 72, 651 (2015). http://doi.org/10.2166/WST.2015.254
Abstract: The present study evaluates effectiveness of up-flow anaerobic sludge blanket (UASB) reactor followed by two post-anaerobic treatment options, namely free-surface, up-flow constructed wetland (FUP-CW) and oxygen-limited anaerobic nitrification/denitrification (OLAND) processes in treating sewage from the peri-urban areas in India receiving illegal industrial infiltrations. The UASB studies yielded robust results towards fluctuating strength of sewage and consistently removed 87-98% chemical oxygen demand (COD) at a hydraulic retention time of 1.5-2 d. The FUP-CW removed 68.5 +/- 13% COD, 68 +/- 3% NH4+-N, 38 +/- 5% PO43--P, 97.6 +/- 5% suspended particles and 97 +/- 13% fecal coliforms. Nutrient removal was found to be limiting in FUP-CW, especially in winter. Nitrogen removal in the OLAND process were 100 times higher than the FUP-CW process. Results show that UASB followed by FUP-CW can be an excellent, decentralized sewage treatment option, except during winter when nutrient removal is limited in FUP-CW. Hence, the study proposes bio-augmentation of FUP-CW with OLAND biomass for overall improvement in the performance of UASB followed by FUP-CW process.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.2166/WST.2015.254
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“Effects of alkaline aluminate waste dumping on seawater chemistry”. Vandelannoote R, Van 't dack L, Van Grieken R, Marine environmental research 21, 275 (1987). http://doi.org/10.1016/0141-1136(87)90050-X
Abstract: The alkaline aluminate waste, of which 10002000 tonnes are dumped a few times a year off the Belgian coast in the Southern Bight of the North Sea, contains 5·4% NaCl, 1·8% dissolved Al and 7·4% NaOH, in addition to traces of heavy metals and some aniline- and phenol-derivatives. The pH rises locally to 8-5 and the total Al-concentration reaches 120niglitre−1(corresponding to an initial waste dilution factor of only 150) in the 10-m wide track just beyond the discharging barge, but these decay quickly to pH 8·1 and 1 mg litre-1 in the 30-m wide track, 500m behind the barge. The relation between the waste concentration and seawater pH was studied. The white precipitate that forms immediately in the sea was identified as Mg6Al2CO3(OH)164H20 (hydrotalcite-manasseite like). No trace of it was found in the local sediments.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0141-1136(87)90050-X
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“Effects of salinity, pH and growth phase on the protein productivity by Dunaliella salina”. Sui Y, Vlaeminck SE, Journal of chemical technology and biotechnology 94, 1032 (2019). http://doi.org/10.1002/JCTB.5850
Abstract: BACKGROUND Microalgae have long been adopted for use as human food, animal feed and high‐value products. For carotenogenesis, Dunaliella salina is one of the most studied microalgae, yet its protein synthesis has been limitedly reported. In this study, D. salina was cultivated at different NaCl and pH levels to optimize its protein productivity. RESULTS The biomass protein content followed an increasedecrease pattern throughout the growth phases, with a maximum in the exponential phase (6080% over ash‐free dry weight). Adversely, the biomass pigment contents were at relatively stable levels (around 0.5% carotenoids, 1.3% chlorophyll a and 0.5% chlorophyll b over ash‐free dry weight). Among the tested conditions (13 mol L−1 salinity, pH 7.59.5), the highest protein productivity (43.5 mg L−1 day−1) was achieved at 2 mol L−1 salinity and pH 7.5 during the exponential phase, which surpassed others by 1697%. Additionally, table salts were tested to be equivalent and cost‐efficient salt sources for the growth medium. CONCLUSION This study highlighted the suitability of D. salina as a protein source, providing guidelines for 70% cheaper medium formulation in the lab and for maximum protein productivity at larger scale.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1002/JCTB.5850
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“Electrochemistry of intact versus degraded cephalosporin antibiotics facilitated by LC–MS analysis”. Sleegers N, van Nuijs ALN, van den Berg M, De Wael K, Analytical Chemistry 93, 2394 (2021). http://doi.org/10.1021/ACS.ANALCHEM.0C04286
Abstract: The electrochemical detection of cephalosporins is a promising approach for the monitoring of cephalosporin levels in process waters. However, this class of antibiotics, like penicillins, is composed of chemically active molecules and susceptible to hydrolysis and aminolysis of the four membered β-lactam ring present. In order to develop a smart monitoring strategy for cephalosporins, the influence of degradation (hydrolysis and aminolysis) on the electrochemical fingerprint has to be taken into account. Therefore, an investigation was carried out to understand the changes of the voltammetric fingerprints upon acidic and alkaline degradation. Changes in fingerprints were correlated to the degradation pathways through the combination of square wave voltammetry and liquid chromatography quadrupole time-of-flight analysis. The characteristic electrochemical signals of the β-lactam ring disappeared upon hydrolysis. Additional oxidation signals that appeared after degradation were elucidated and linked to different degradation products, and therefore, enrich the voltammetric fingerprints with information of the state of the cephalosporins. The applicability of the electrochemical monitoring system was explored by the analysis of the intact and degraded industrial process waters containing the key intermediate 7-aminodeacetoxycephalosporanic acid (7-ADCA). Clearly, the intact process samples exhibited the expected core signals of 7-ADCA and could be quantified, while the degraded samples only showed the newly formed degradation products.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Impact Factor: 6.32
DOI: 10.1021/ACS.ANALCHEM.0C04286
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“Electromagnetic modeling and design of a novel class of complementary split‐ring resonators”. Martínez-Dueñas EJR, de Jong van Coevorden CM, Stukach OV, Panokin NV, Gielis J, Caratelli D, International journal of RF and microwave computer-aided engineering 29, e21582 (2019). http://doi.org/10.1002/MMCE.21582
Abstract: This research study reports the assessment of complementary split ring resonators based on Gielis transformation as basic elements for the design of high‐performance microwave components in printed technology. From the electromagnetic simulation of said structures, suitable equivalent circuit models are extracted and analyzed. Physical prototypes are fabricated and tested for design validation. The obtained results confirm that the adoption of supershaped geometries enables the synthesis of very compact scalable microwave filters.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1002/MMCE.21582
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“Exposure assessment of a cyclist to PM10 and ultrafine particles”. Berghmans P, Bleux N, Int Panis L, Mishra VK, Torfs R, Van Poppel M, The science of the total environment 407, 1286 (2009). http://doi.org/10.1016/J.SCITOTENV.2008.10.041
Abstract: Estimating personal exposure to air pollution is a crucial component in identifying high-risk populations and situations. It will enable policy makers to determine efficient control strategies. Cycling is again becoming a favorite mode of transport both in developing and in developed countries due to increasing traffic congestion and environmental concerns. in Europe, it is also seen as a healthy sports activity. However, due to high levels of hazardous pollutants in the present day road microenvironment the cyclist might be at a higher health risk due to higher breathing rate and proximity to the vehicular exhaust. In this paper we present estimates of the exposure of a cyclist to particles of various size fractions including ultrafine particles (UFP) in the town of Mol (Flanders, Belgium). The results indicate relatively higher UFP concentration exposure during morning office hours and moderate UFP levels during afternoon. The major sources of UFP and PM(10) were identified, which are vehicular emission and construction activities, respectively. We also present a dust mapping technique which can be a useful tool for town planners and local policy makers. (C) 2008 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.SCITOTENV.2008.10.041
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“Geochemical assessment of a subtropical reservoir : a case study in Curitiba, Southern Brazil”. Godoi RHM, Hirata PY, Bitterncourt AVL, Godoi AFL, Potgieter-Vermaak S, Gatto Rotondo G, Van Grieken R, et al, Clean : soil, air, water 40, 364 (2012). http://doi.org/10.1002/CLEN.201000610
Abstract: Suspended particles and dissolved substances in water provide reactive surfaces, influence metabolic activity and contribute to the net sediment deposition. It therefore plays an important part in the ecology and quality of the water mass. The water quality in reservoirs is crucial and it is naturally maintained by flushing and sedimentation, which continuously remove phosphorus from the water. In some reservoirs, however, these removal processes are countered by recycling of ions which could play a key role to start and/or maintain the eutrophic state. The combination of macro-, trace- and microanalysis techniques can be useful to trace pollution sources through a chemical fingerprint, whether be during an acute environmental disaster or a long-term release of pollutants. The water quality and total metal content of reservoir sediments were assessed in a reservoir, situated in the capital of the Paraná State, in the South-Eastern part of Brazil. The goal of this paper was to determine the metal presence in the sediment and metal and ionic speciation in the Green River reservoir water. Water and bed sediment samples, collected from various sites during 2008 and 2009, were investigated using XRF, ICP-OES, ICP-MS, XRD and zeta potential measurements. Based on the results, the heavy metal concentration and chemical composition of the suspended matter in the water samples, as well as the sediment's chemical composition will be discussed.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/CLEN.201000610
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“Historical changes in air pollution in the tri-border region of Poland, Czech Republic and Germany”. Worobiec A, Zwozdziak A, Sówka I, Zwozdziak J, Stefaniak EA, Buczyńska A, Krata A, van Meel K, Van Grieken R, Górka M, Jedrysek M-O, Environment protection engineering 34, 81 (2008)
Abstract: In this study, we show the trends in the concentration Of SO2 and particulate matter (PM) in two health resorts, located in the tri-border region of Poland, Germany and Czech Republic. We analyze the annual time series and the seasonal variability of PM concentration for the months of July and February over the period of 1996-2007. Additionally, in July 2006, we measured the mean 24-hour concentration of PM and the content of heavy metals (by EDXRF analysis). We prove that nowadays air pollution in this region has diminished to a large extent as compared to the 90s of the last century. In Cieplice, the local influence is still evident; while Czerniawa is exposed to a periodical advection of polluted air from regional sources.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“The impact of electric overhead radiant heating on the indoor environment of historic churches”. Samek L, de Maeyer-Worobiec A, Spolnik Z, Bencs L, Kontozova V, Bratasz Ł, Kozłowski R, Van Grieken R, Journal of cultural heritage 8, 361 (2007). http://doi.org/10.1016/J.CULHER.2007.03.006
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1016/J.CULHER.2007.03.006
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“In-gap band in the one-dimensional two-orbital Kanamori-Hubbard model with interorbital Coulomb interaction”. Aucar Boidi N, Fernández García H, Nunez-Fernandez Y, Hallberg K, Physical review research 3, 043213 (2021). http://doi.org/10.1103/PHYSREVRESEARCH.3.043213
Abstract: We study the electronic spectral properties at zero temperature of the one-dimensional (1D) version of the degenerate two-orbital Kanamori-Hubbard model, one of the well-established frameworks to study transition metal compounds, using state-of-the-art numerical techniques based on the density matrix renormalization group. While the system is Mott insulating for the half-filled case, as expected for an interacting 1D system, we find interesting and rich structures in the single-particle density of states (DOS) for the hole-doped system. In particular, we find the existence of in-gap states which are pulled down to lower energies from the upper Hubbard band with increasing the interorbital Coulomb interaction V. We analyze the composition of the DOS by projecting it onto different local excitations, and we observe that for large dopings these in-gap excitations are formed mainly by interorbital holon-doublon (HD) states and their energies follow approximately the HD states in the atomic limit. We observe that the Hund interaction J increases the width of the in-gap band, as expected from the two-particle fluctuations in the Hamiltonian. The observation of a finite density of states within the gap between the Hubbard bands for this extended 1D model indicates that these systems present a rich excitation spectra which could help us understand the microscopic physics behind multiorbital compounds.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)
DOI: 10.1103/PHYSREVRESEARCH.3.043213
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“Influence of sample thickness, excitation energy and geometry on particle size effects in XRF”. Van Dyck P, Markowicz A, Van Grieken R, X-ray spectrometry 14, 183 (1985). http://doi.org/10.1002/XRS.1300140409
Abstract: Expressions are presented for calculating the matrix effect and the pure particle size effect in the XRF analysis of particulate samples with a discrete particle size. The equations are based on the absorption-weighted radiometric diameter concept. Two excitationdetection geometries are considered, with the angles between the sample plane and both the incident and emerging radiation being either 90° (π geometry) or 45° (π/2 geometry). Calculations were made for different sample loadings and exciting radiation energies. The influence of these parameters on the matrix and pure particle size effects is shown. From the results, it is possible to predict the performances of alternative experimental correction procedures for the particle size effect, involving dual measurements at different excitation energies or in different excitationdetection geometries.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.1300140409
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“An innovative air purification method and neural network algorithm applied to urban streets”. Boumahdi M, El Amrani C, Denys S, International journal of embedded and real-time communication systems 10, 1 (2019). http://doi.org/10.4018/IJERTCS.2019100101
Abstract: In the present work, multiphysics modeling was used to investigate the feasibility of a photocatalysis-based outdoor air purifying solution that could be used in high polluted streets, especially street canyons. The article focuses on the use of a semi-active photocatalysis in the surfaces of the street as a solution to remove anthropogenic pollutants from the air. The solution is based on lamellae arranged horizontally on the wall of the street, coated with a photocatalyst (TiO2), lightened with UV light, with a dimension of 8 cm × 48 cm × 1 m. Fans were used in the system to create airflow. A high purification percentage was obtained. An artificial neural network (ANN) was used to predict the optimal purification method based on previous simulations, to design purification strategies considering the energy cost. The ANN was used to forecast the amount of purified with a feed-forward neural network and a backpropagation algorithm to train the model.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.4018/IJERTCS.2019100101
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“Investigation of the chemical composition of (Na1-xBix)(MnyNb1-y)O3 ceramics by single particle electron probe X-ray microanalysis with an application of Monte Carlo simulations”. Spolnik Z, Osán J, Klepka M, Lawniczak-Jablonska K, Van Grieken R, Molak A, Potgieter JH, Spectrochimica acta: part B : atomic spectroscopy 60, 525 (2005). http://doi.org/10.1016/J.SAB.2005.03.013
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.SAB.2005.03.013
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“Laser microprobe mass spectrometry of platinum in dog kidney after cisplatin adminstration”. Verbueken AH, Van Grieken RE, Paulus GJ, Verpooten GA, de Broe ME, Biomedical mass spectrometry 11, 159 (1984). http://doi.org/10.1002/BMS.1200110404
Abstract: By means of laser microprobe mass analysis (LAMMA) platinum was detected in the renal proximal tubular cells of a dog that had been intravenously adminstered the antitumor drug cisplatin (5 mg per kg body weight). No definite subcellular localization of the heavy metal was obtained. Sample prparation and analytical features are examined to increase spatial resolution of analysis while maintaining sufficient detection efficiency. The LAMMA method is destructive, but the amount and type of evaporated material can readily be determined when using LAMMA in combination with transmission electron microscopy. Instrumental optimization and standardization of mass signals is possible by using platinum-loaded, ion chelating resin beads embedded and sectioned with the tissue.
Keywords: A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1002/BMS.1200110404
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“Leaf area-length allometry and its implications in leaf shape evolution”. Shi P, Liu M, Ratkowsky DA, Gielis J, Su J, Yu X, Wang P, Zhang L, Lin Z, Schrader J, Trees: structure and function 33, 1073 (2019). http://doi.org/10.1007/S00468-019-01843-4
Abstract: According to Thompson’s principle of similarity, the area of an object should be proportional to its length squared. However, leaf area–length data of some plants have been demonstrated not to follow the principle of similarity. We explore the reasons why the leaf area–length allometry deviates from the principle of similarity and examine whether there is a general model describing the relationship among leaf area, width and length. We sampled more than 11,800 leaves from six classes of woody and herbaceous plants and tested the leaf area–length allometry. We compared six mathematical models based on root-mean-square error as the measure of goodness-of-fit. The best supported model described a proportional relationship between leaf area and the product of leaf width and length (i.e., the Montgomery model). We found that the extent to which the leaf area–length allometry deviates from the principle of similarity depends upon the extent of variation of the ratio of leaf width to length. Estimates of the parameter of the Montgomery model ranged between 1/2, which corresponds to a triangular leaf with leaf length as its height and leaf width as its base, and π/4, which corresponds to an elliptical leaf with leaf length as its major axis and leaf width as its minor axis, for the six classes of plants. The narrow range in practice of the Montgomery parameter implies an evolutionary stability for the leaf area of large-leaved plants despite the fact that leaf shapes of these plants are rather different.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1007/S00468-019-01843-4
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“Low Loss Atomic Layer Deposited Al2O3 Waveguides for Applications in On-Chip Optical Amplifiers”. Demirtas M, Odaci C, Perkgoz NK, Sevik C, Ay F, IEEE journal of selected topics in quantum electronics 24, 3100508 (2018). http://doi.org/10.1109/JSTQE.2018.2825880
Abstract: We present the growth and optimization of ultralow loss Si-based Al2O3 planar waveguides, which have a high potential to boost the performance of rare-earth ion doped waveguide devices operating at visible and C-band wavelength ranges. The planar waveguide structures are grown using thermal atomic layer deposition. Systematic characterization of the obtained thin films is performed by spectroscopic ellipsometry, X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy analyses, and the optimum parameters are identified. The optical loss measurements for both transverse electric (TE) and transverse magnetic polarized light at 633, 829, and 1549 nm are performed. The lowest propagation loss value of 0.04 +/- 0.02 dB/cm for the Al2O3 waveguides for TE polarization at 1549 nm is demonstrated.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1109/JSTQE.2018.2825880
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“Method for the determination of Pd-catalyst residues in active pharmaceutical ingredients by means of high-energy polarized-beam energy dispersive X-ray fluorescence”. Marguí, E, van Meel K, Van Grieken R, Buendía A, Fontás C, Hidalgo M, Queralt I, Analytical chemistry 81, 1404 (2009). http://doi.org/10.1021/AC8021373
Abstract: In medicinal chemistry, Pd is perhaps the most-widely utilized precious metal, as catalyst in reactions which represent key transformations toward the synthesis of new active pharmaceutical ingredients (APIs). The disadvantage of this metal-catalyzed chemistry is that expensive and toxic metal residues are invariably left bound to the desired product. Thus, stringent regulatory guidelines exist for the amount of residual Pd that a drug candidate is allowed to contain. In this work, a rapid and simple method for the determination of Pd in API samples by high-energy polarized-beam energy dispersive X-ray fluorescence spectrometry has been developed and validated according to the specification limits of current legislation (10 mg kg−1 Pd) and the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use (ICH guidelines). Sample and calibration standards preparation includes a first step of homogenization and then, in a second step, the pressing of the powdered material into pellets without any chemical treatment. The use of several synthetic calibration standards made of cellulose to simulate the API matrix appears to be an effective means to obtain reliable calibration curves with a good spread of data points over the working range. With the use of the best measuring conditions, the limit of detection (0.11 mg kg−1 Pd) as well as the limit of quantitation (0.37 mg kg−1 Pd) achieved meet rigorous requirements. The repeatability of the XRF measurement appeared to be less than 2%, while the precision of the whole method was around 7%. Trueness was evaluated by analyzing spiked API samples at the level of the specification limit and calculating the recovery factor, which was better than 95%. To study the applicability of the developed methodology for the intended purpose, three batches of the studied API were analyzed for their Pd content, and the attained results were comparable to those obtained by the daily routine method (acid digestion plus atomic spectroscopy) used in most pharmaceutical laboratories.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/AC8021373
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“Mineral dust variability in central West Antarctica associated with ozone depletion”. Cataldo M, Evangelista H, Simões JC, Godoi RHM, Simmonds I, Hollanda MH, Wainer I, Aquino F, Van Grieken R, Atmospheric chemistry and physics 13, 2165 (2013). http://doi.org/10.5194/ACP-13-2165-2013
Abstract: We present here data of mineral dust variability retrieved from an ice core of the central West Antarctic, spanning the last five decades. Main evidence provided by the geochemical analysis is that northerly air mass incursions to the coring site, tracked by insoluble dust microparticles, have declined over the past 50 yr. This result contrasts with dust records from ice cores reported to the coastal West Antarctic that show increases since mid-20th century. We attribute this difference to regional climatic changes due to the ozone depletion and its implications to westerly winds. We found that the diameters of insoluble microparticles in the central West Antarctica ice core are significantly correlated with cyclone depth (energy) and wind intensity around Antarctica.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.5194/ACP-13-2165-2013
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“The Möbius phenomenon in Generalized Möbius-Listing surfaces and bodies, and Arnold's Cat phenomenon”. Gielis J, Ricci PE, Tavkhelidze I, Advanced Studies : Euro-Tbilisi Mathematical Journal 14, 17 (2021). http://doi.org/10.3251/ASETMJ/1932200812
Abstract: Möbius bands have been studied extensively, mainly in topology. Generalized Möbius-Listing surfaces and bodies providing a full geometrical generalization, is a quite new field, motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. In general, cutting leads to interlinked and intertwined different surfaces or bodies, resulting in very complex systems. However, under certain conditions, the result of cutting can be a single surface or body, which reduces complexity considerably. Our research is motivated by this reduction of complexity. In the study of cutting Generalized Möbius-Listing bodies with polygons as cross section, the conditions under which a single body results, displaying the Möbius phenomenon of a one-sided body, have been determined for even and odd polygons. These conditions are based on congruence and rotational symmetry of the resulting cross sections after cutting, and on the knife cutting the origin. The Möbius phenomenon is important, since the process of cutting (or separation of zones in a GML body in general) then results in a single body, not in different, intertwined domains. In all previous works it was assumed that the cross section of the GML bodies is constant, but the main result of this paper is that it is sufficient that only one cross section on the whole GML structure meets the conditions for the Möbius phenomenon to occur. Several examples are given to illustrate this.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.3251/ASETMJ/1932200812
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“Modeling electron competition among nitrogen oxides reduction and N2Oaccumulation in hydrogenotrophic denitrification”. Liu Y, Ngo HH, Guo W, Peng L, Chen X, Wang D, Pan Y, Ni B-J, Biotechnology and bioengineering 115, 978 (2018). http://doi.org/10.1002/BIT.26512
Abstract: Hydrogenotrophic denitrification is a novel and sustainable process for nitrogen removal, which utilizes hydrogen as electron donor, and carbon dioxide as carbon source. Recent studies have shown that nitrous oxide (N2O), a highly undesirable intermediate and potent greenhouse gas, can accumulate during this process. In this work, a new mathematical model is developed to describe nitrogen oxides dynamics, especially N2O, during hydrogenotrophic denitrification for the first time. The model describes electron competition among the four steps of hydrogenotrophic denitrification through decoupling hydrogen oxidation and nitrogen reduction processes using electron carriers, in contrast to the existing models that couple these two processes and also do not consider N2O accumulation. The developed model satisfactorily describes experimental data on nitrogen oxides dynamics obtained from two independent hydrogenotrophic denitrifying cultures under various hydrogen and nitrogen oxides supplying conditions, suggesting the validity and applicability of the model. The results indicated that N2O accumulation would not be intensified under hydrogen limiting conditions, due to the higher electron competition capacity of N2O reduction in comparison to nitrate and nitrite reduction during hydrogenotrophic denitrification. The model is expected to enhance our understanding of the process during hydrogenotrophic denitrification and the ability to predict N2O accumulation.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1002/BIT.26512
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“A Monte Carlo program for quantitative electron-induced x-ray analysis of individual particles”. Ro C-U, Osán J, Szalóki I, de Hoog J, Worobiec A, Van Grieken R, Analytical chemistry 75, 851 (2003). http://doi.org/10.1021/AC025973R
Keywords: A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/AC025973R
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“Monte Carlo simulation of backscattered peaks in secondary target energy-dispersive X-ray spectra”. Van Dyck P, Török S, Van Grieken R, X-ray spectrometry 15, 231 (1986). http://doi.org/10.1002/XRS.1300150403
Abstract: A Monte Carlo simulation has been developed to describe the incoherent and coherent scatter processes for the complex geometry of a secondary target energy-dispersive x-ray fluorescence system. Photons are followed from the x-ray tube anode until the detection of scattered secondary target photons in the active Si layer of the detector. The program quantitatively shows the broadening of the incoherent scatter peak with increasing atomic number, and it models the incoherent peak shape adequately. The incoherent-to-coherent scatter intensity ratios obtained differ by 1030% from the theoretical values, while their dependence on the sample atomic number corresponds to that expected from theory.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.1300150403
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“New Chinese members of the Advisory Board of X-Ray Spectrometry”. Van Grieken R, X-ray spectrometry 35, 205 (2006)
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Non-linear mapping of microbeam proton-induced X-ray emission data for source identification of North Sea aerosols”. Treiger B, Injuk J, Bondarenko I, van Espen P, Van Grieken R, Breitenbach L, Wätjen U, Spectrochimica acta: part B : atomic spectroscopy 49, 345 (1994). http://doi.org/10.1016/0584-8547(94)80029-4
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
DOI: 10.1016/0584-8547(94)80029-4
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“On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study”. Lu AKA, Pourtois G, Luisier M, Radu IP, Houssa M, Journal of applied physics 121, 044505 (2017). http://doi.org/10.1063/1.4974960
Abstract: In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1063/1.4974960
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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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