Records |
Author |
Markowicz, A.; Storms, H.; Van Grieken, R. |
Title |
Evaluation of an equation for bremsstrahlung background in electron-probe X-ray microanalysis of composite samples |
Type |
A1 Journal article |
Year |
1986 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
15 |
Issue |
2 |
Pages |
131-133 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A new equation for predicting the generated bremsstrahlung background intensity in electron-probe x-ray microanalysis has been verified experimentally. This equation is applicable to all bulk composite specimens and reduces to Kramers' equation for pure elements only. The experimental verification has been carried out for Al2O3, Fe2O3 and ZrO2 with radiation energies from 4.2 to 14.8 keV. The predicted bremsstrahlung intensities are in good agreement with the experimental data. |
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Wos |
A1986C017300009 |
Publication Date |
2005-05-28 |
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Edition |
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ISSN |
0049-8246 |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:113873 |
Serial |
7937 |
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Author |
Visser, W.J.; Van de Vyver, F.L.; Verbueken, A.H.; d'Haese, P.; Bekaert, A.B.; Van Grieken, R.E.; Duursma, S.A.; de Broe, M.E. |
Title |
Evaluation of different techniques used to determine aluminium in patients with chronic renal failure |
Type |
P3 Proceeding |
Year |
1985 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; Pathophysiology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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no |
Call Number |
UA @ admin @ c:irua:117496 |
Serial |
7938 |
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Author |
Osán, J.; de Hoog, J.; van Espen, P.; Szalóki, I.; Ro, C.-U.; Van Grieken, R. |
Title |
Evaluation of energy-dispersive x-ray spectra of low-Z elements from electron-probe microanalysis of individual particles |
Type |
A1 Journal article |
Year |
2001 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
30 |
Issue |
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Pages |
419-426 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Wos |
000172347800010 |
Publication Date |
2002-08-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0049-8246 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:36091 |
Serial |
7939 |
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Author |
Robberecht, H.; Van Grieken, R.; Shani, J.; Barak, S. |
Title |
Evaluation of multi-element analysis of blood serum by energy-dispersive x-ray spectrometry |
Type |
A1 Journal article |
Year |
1982 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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Volume |
136 |
Issue |
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Pages |
285-292 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Conventional energy-dispersive x-ray fluorescence is applied in the analysis of blood serum to give the concentrations of 710 elements simultaneously with minimal manipulation of the samples. Simple spotting onto a Mylar carrier of 250 μl of serum, doped with two internal standards, was chosen as the sample preparation step. Some 200 serum samples, analyzed in replicate (n = 26), were used to evaluate this procedure. The detection limits are 4 μg ml-1 for K and Ca, 0.50.2 μg ml-1 for Fe, Cu, Pb and Zn, and less than 0.1 μg ml-1 for Se, Rb and Sr. Well above these limits, the standard deviation is around 10%. Comparison with the results of other measurements on the same samples indicates an accuracy of that order. The simplicity and high throughput, and the possibility of automating the x.r.f. measurements, make the proposed procedure suitable for screening large numbers of sera. |
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Wos |
A1982NL48600032 |
Publication Date |
2002-07-25 |
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Edition |
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ISSN |
0003-2670; 1873-4324 |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:116440 |
Serial |
7940 |
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Author |
Schelles, W.; de Gendt, S.; Müller, V.; Van Grieken, R. |
Title |
Evaluation of secondary cathodes for glow discharge mass spectrometry analysis of different nonconducting sample types |
Type |
A1 Journal article |
Year |
1995 |
Publication |
Applied spectroscopy |
Abbreviated Journal |
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Volume |
49 |
Issue |
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Pages |
939-944 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
A1995RK40300011 |
Publication Date |
2005-05-21 |
Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-7028 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:12350 |
Serial |
7941 |
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Author |
Sankaran, K.; Swerts, J.; Carpenter, R.; Couet, S.; Garello, K.; Evans, R.F.L.; Rao, S.; Kim, W.; Kundu, S.; Crotti, D.; Kar, G.S.; Pourtois, G. |
Title |
Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling |
Type |
P1 Proceeding |
Year |
2018 |
Publication |
2018 Ieee International Electron Devices Meeting (iedm) |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
For the first time, we demonstrate, using an atomistic description of a 30nm diameter spin-transfer-torque magnetic random access memories (STT-MRAM), that the difference in mechanical properties of its sub-nanometer layers induces a high compressive strain in the magnetic tunnel junction (MTJ) and leads to a detrimental magnetostrictive effect. Our model explains the issues met in engineering the electrical and magnetic performances in scaled STT-MRAM devices. The resulting high compressive strain built in the stack, particularly in the MgO tunnel barrier (t-MgO), and its associated non-uniform atomic displacements, impacts on the quality of the MTJ interface and leads to strain relieve mechanisms such as surface roughness and adhesion issues. We illustrate that the strain gradient induced by the different materials and their thicknesses in the stacks has a negative impact on the tunnel magneto-resistance (TMR), on the magnetic nucleation process and on the STT-MRAM performance. |
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Wos |
000459882300147 |
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ISSN |
978-1-72811-987-8; 978-1-72811-987-8 |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:158694 |
Serial |
7942 |
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Author |
Janssens, K.; Alfeld, M.; Van der Snickt, G.; De Nolf, W.; Vanmeert, F.; Monico, L.; Legrand, S.; Dik, J.; Cotte, M.; Falkenberg, G.; van der Loeff, L.; Leeuwestein, M.; Hendriks, E. |
Title |
Examination of Vincent van Gogh's paintings and pigments by means of state-of-the-art analytical methods |
Type |
H2 Book chapter |
Year |
2014 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
373-403
T2 - Science and art : the painted surface |
Keywords |
H2 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Recent studies in which X-ray beams of macroscopic to (sub) microscopic dimensions were used for non-destructive analysis and characterization of pigments, paint micro samples and/or entire paintings by Vincent van Gogh are concisely reviewed. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging as well as with the combined use of X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Microscopic and macroscopic XRF are variants of the method that are well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi layers, either on the length scale from 1–100 μm inside micro samples taken from paintings or on the 1–100 cm length scale when the (subsurface) distribution of specific pigments in entire paintings is concerned. In the context of the characterization of van Gogh's pigments subject to natural degradation, the use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS and μ-XRD have proven themselves to be very suitable for such studies. Their use is often combined with microscopic Fourier transform infra-red (μ-FTIR) spectroscopy since this method delivers complementary information at more or less the same length scale as the X-ray microprobe techniques. Also in the context of macroscopic imaging of works of art, the complementary use of X-ray based and infra-red based imaging appears very promising; some recent developments are discussed. |
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Wos |
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Publication Date |
2020-02-24 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
978-1-84973-818-7 |
Additional Links |
UA library record |
Impact Factor |
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no |
Call Number |
UA @ admin @ c:irua:190782 |
Serial |
7943 |
Permanent link to this record |
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Author |
Wozniak, T.; Faria, P.E., Jr.; Seifert, G.; Chaves, A.; Kunstmann, J. |
Title |
Exciton g factors of van der Waals heterostructures from first-principles calculations |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
101 |
Issue |
23 |
Pages |
235408-235411 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
External fields are a powerful tool to probe optical excitations in a material. The linear energy shift of an excitation in a magnetic field is quantified by its effective g factor. Here we show how exciton g factors and their sign can be determined by converged first-principles calculations. We apply the method to monolayer excitons in semiconducting transition metal dichalcogenides and to interlayer excitons in MoSe2/WSe2 heterobilayers and obtain good agreement with recent experimental data. The precision of our method allows us to assign measured g factors of optical peaks to specific transitions in the band structure and also to specific regions of the samples. This revealed the nature of various, previously measured interlayer exciton peaks. We further show that, due to specific optical selection rules, g factors in van der Waals heterostructures are strongly spin and stacking-dependent. The calculation of orbital angular momenta requires the summation over hundreds of bands, indicating that for the considered two-dimensional materials the basis set size is a critical numerical issue. The presented approach can potentially be applied to a wide variety of semiconductors. |
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Wos |
000537315100009 |
Publication Date |
2020-06-03 |
Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
Call Number |
UA @ admin @ c:irua:170219 |
Serial |
7944 |
Permanent link to this record |
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Author |
Kulkarni, S.; Gonzalez-Quiroga, A.; Nuñez, M.; Schuerewegen, C.; Perreault, P.; Goel, C.; Heynderickx, G.J.; Van Geem, K.M.; Marin, G.B. |
Title |
An experimental and numerical study of the suppression of jets, counterflow, and backflow in vortex units |
Type |
A1 Journal article |
Year |
2019 |
Publication |
AIChE journal |
Abbreviated Journal |
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Volume |
65 |
Issue |
8 |
Pages |
e16614-13 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Vortex units are commonly considered for various single and multiphase applications due to their process intensification capabilities. The transition from gas‐only flow to gas–solid flow remains largely unexplored nonetheless. During this transition, primary flow phenomenon, jets, and secondary flow phenomena, counterflow and backflow, are substantially reduced, before a rotating solids bed is established. This transitional flow regime is referred to as the vortex suppression regime. In the present work, this flow transition is identified and validated through experimental and computational studies in two vortex units with a scale differing by a factor of 2, using spherical aluminum and alumina particles. This experimental data supports the proposed theoretical particle monolayer solids loading that allows estimation of vortex suppression regime solids capacity for any vortex unit. It is shown that the vortex suppression regime is established at a solids loading theoretically corresponding to a monolayer being formed in the unit for 1g‐Geldart D‐ and 1g‐Geldart B‐type particles. The model closely agrees with experimental vortex suppression range for both aluminum and alumina particles. The model, as well as the experimental data, shows that the flow suppression regime depends on unit dimensions, particle diameter, and particle density but is independent of gas flow rate. This combined study, based on experimental and computational data and on a theoretical model, reveals the vortex suppression to be one of the basic operational parameters to study flow in a vortex unit and that a simple monolayer model allows to estimate the needed solids loading for any vortex device to induce this flow transition. |
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Wos |
000474620800026 |
Publication Date |
2019-04-19 |
Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0001-1541 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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no |
Call Number |
UA @ admin @ c:irua:162121 |
Serial |
7945 |
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Author |
Cui, Z. |
Title |
Experimental and theoretical study on SF6 degradation by packed-bed DBD plasma |
Type |
Doctoral thesis |
Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Sulfur hexafluoride (SF6), as a man-made gas, is widely used in power industry, semiconductor industry and metal-processing industry. However, SF6 is a greenhouse gas and its global warming potential is 23500 times that of CO2. Besides, SF6 is very stable, with a lifetime in the atmosphere for more than one thousand years. Under natural conditions, only the ultraviolet light can make it slowly decomposed. Thus, the emission of SF6 has a great threat to the environment. In recent years, with the development of our national economy, the use of SF6 increased dramatically. And 90% of the SF6 emissions come from the power industry. In the meantime, the emission of SF6 exists a ‘hysteresis effect’, as many of the SF6-gas insulation equipment will retire in next decades, the emission of SF6 may increase sharply, and this may put great pressure on the environment. Therefore, it’s necessary to make efforts in controlling and treating the SF6 emission. Among the SF6 abatement technologies, the non-thermal plasma(NTP) represented by the dielectric barrier discharge(DBD) can effectively degrade SF6 and is suitable for large-scale industry applications. However, its energy efficiency still gets room for improvement and this kind of method has a defect that it’s hard to regulate the degradation by-products. Therefore, this paper proposed the combination of the packed bed reactor and the DBD technology to form a packed DBD discharge system for SF6 degradation, so that to further improve the energy efficiency and regulate the selectivity of by-products. By experiment and simulation research, the following innovations have been achieved: (1) Based on the packed bed DBD platform, the power parameter and gas-phase parameters of SF6 degradation were studied. It was found that the discharge process was significantly enhanced with the addition of packing particles, and the discharge energy efficiency was improved. The increase of input voltage can obviously increase the degradation rate, but reduces the energy efficiency. The increase of SF6 initial concentration and gas flow rate can improve the energy efficiency, but reduce the degradation rate. Therefore, both degradation rate and energy efficiency should be considered in deciding basic experimental conditions. (2) Active gases, such as O2, H2O and NH3, could effectively promote the degradation rate of SF6, and changed the product selectivity. In our packed bed DBD system, O2 and H2O have the optimal concentration conditions, which are 2% and 1%, respectively. The addition of O2 can promote the generation of S-O-F products, and inhibit the selectivity of SO2, while the addition of H2O had the opposite effects. In addition, the synergistic degradation of NH3 and SF6 will produce solid products, such as NH3HF, NH4HF2 and elemental S. For gaseous products, the increase of NH3 will lead to the generation of SO2 in the final degradation products and inhibit the generation of S-O-F products. (3) Different kinds of packing materials have great impacts on the degradation system in the discharge parameters, degradation rate and energy efficiency, as well as the products distribution. In the experiment, we compared the degradation results in three systems: glass beads packing, γ-Al2O3 packing and no-packing system. The packing of glass beads effectively improved the discharge voltage amplitude and discharge power, while had a limited effect on the equivalent capacitance of the dielectric. Besides, γ-Al2O3 packing had little effect on voltage amplitude, but obviously increased the equivalent capacitance of the dielectric. Furthermore, the degradation rate and energy efficiency in γ-Al2O3 system was higher than that of glass bead system. For products selectivity, γ-Al2O3 system was more desirable, where S-O-F type of product selectivity was suppressed and the SO2 selectivity increased significantly. By contrast, the glass beads system hardly affected the product selectivity. This results are presumably due to the relatively high dielectric constant of γ-Al2O3 particles and γ-Al2O3 itself may act as a reactant or a catalyst participating in the degradation reactions. (4) The size and status of the packing particles also have significant effects on the degradation process. The systems packed with 1, 2 and 4mm γ-Al2O3 particles for SF6 degradation were compared, and the 2mm system had the best performance, which may because the 2mm system had a good balance between the active contact area and the gas residence time. In addition, the packing pellets suffered from a hydration process slightly reduced the discharge parameters in the γ-Al2O3 packing system and significantly reduced the degradation rate was, which may because the H2O molecules pre-occupied the active sites on the γ-Al2O3 surface and reduced the discharge process. (5) Based on density functional theory (DFT), the degradation process of SF6 in the packed bed DBD system was studied at atomic scale. It was found that the SF6 can occur a physical adsorption at AlⅢ active sites on γ-Al2O3 surface. The activation barrier for the first degradation step of SF6 on γ-Al2O3 surface is much lower than in gas phase, which proved that the SF6 molecule is activated on the γ-Al2O3 surface. In addition, the plasma may affect the γ-Al2O3 surface to generate excess electrons or external electric fields. This two effects can change the adsorbed SF6 molecules from physical adsorption to chemisorption, together with an obvious stretching of S-F bonds, indicating that the plasma surface effects prmote the activation and decomposition of SF6 molecules. Furthermore, the stepwise degradation process of SF6 on γ-Al2O3 surface were investigated. The influence of radicals produced by plasma on the degradation process was analyzed. It was found that via Eley–Rideal (ER) reactions, high-energy radicals could effectively reduce the activation barriers and promote the surface reactions. Finally, the degradation mechanism of SF6 molecules in the packed bed plasma system was summarized, which may provide a theoretical basis for the study of harmless degradation of SF6. Keywords: SF6; Packed Bed DBD; Discharge Parameters; Products Analysis; Degradation Mechanism |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:180819 |
Serial |
7946 |
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Author |
Perreault, P.; Robert, E.; Patience, G.S. |
Title |
Experimental methods in chemical engineering : mass spectrometry – MS |
Type |
A1 Journal article |
Year |
2019 |
Publication |
The Canadian journal of chemical engineering |
Abbreviated Journal |
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Volume |
97 |
Issue |
5 |
Pages |
1036-1042 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Mass spectrometry identifies the atomic mass of molecules and fragments in the gas phase. The spectrometer ionizes the molecules that then pass through an electric or magnetic field towards a detector. The field modifies the molecule's trajectory and we infer mass from its direction and velocity in a static field or from the stability of its path in a dynamic field. The electric current is amplified and a mass spectrum is generated from the location or timing of the signal from the detector, translated into a plot of the intensity as a function of the mass‐over‐charge ratio. It is field deployable, measures concentrations in real time with a temporal resolution better than 100 ms, and detection limits of fg. However, the signal drifts with time so we have to calibrate it as frequently as every hour. Calibrating requires multiple mixtures with varying concentrations to map the non‐linear response. The Web of Science Core Collection indexed over 60 000 articles that refer to MS (2016 and 2017) with applications ranging from permanent gas analysis, to identifying protein, forensic science, and natural products. The bibliometric software VOSViewer(2010) identified four clusters of research related to MS: (1) proteomics, proteins, plasma, and metabolomics; (2) solid phase extraction together with gas chromatography; (3) tandem mass spectrometry and liquid chromatography; and (4) waste water and toxicity. We expect that the technique will continue to evolve with increased sensitivity, lower drift, and greater specificity. Miniaturization efforts should also continue in order to develop faster field deployable instruments. |
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Wos |
000468025000001 |
Publication Date |
2019-01-29 |
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Edition |
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ISSN |
0008-4034; 1939-019x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:162123 |
Serial |
7947 |
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Author |
Ngo, N.; Liu, X.; Van Winckel, T.; Massoudieh, A.; Kjellerup, B.V.; Takács, I.; Wett, B.; Mancell-Egala, M.; Sturm, B.; Vlaeminck, S.E.; Al-Omari, A.; Murthy, S.; De Clippeleir, H. |
Title |
Experimental metrics to predict the flocculent settling coefficient in a 1D settler model |
Type |
P3 Proceeding |
Year |
2017 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
5 p.
T2 - WEFTEC.17, 30 September 4 October 2017, |
Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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no |
Call Number |
UA @ admin @ c:irua:151111 |
Serial |
7948 |
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Author |
Ro, C.-U.; Kim, H.K.; Van Grieken, R. |
Title |
An expert system for chemical speciation of individual particles using low-Z particle electron probe X-ray microanalysis data |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
76 |
Issue |
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Pages |
1322-1327 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000189275100020 |
Publication Date |
2004-02-27 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:43879 |
Serial |
7949 |
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Author |
Sui, Y.; Vlaeminck, S.E. |
Title |
Exploring Dunaliella salina as single cell protein (SCP) : the influence of light/dark regime on the growth and protein synthesis |
Type |
A2 Journal article |
Year |
2017 |
Publication |
Communications in agricultural and applied biological sciences |
Abbreviated Journal |
|
Volume |
82 |
Issue |
1 |
Pages |
6-11 |
Keywords |
A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Single cell protein (SCP), or originally named microbial protein, is the edible microbial biomass derived from e.g. microalgae, bacteria and fungi, which can be used as protein sources replacing conventional protein sources for animal feed or human food such as fishmeal and soybean (Anupama & Ravindra 2000). SCP presents great potential as protein supplement to alleviate the problem of food scarcity in the future (Nasseri et al. 2011). In general, microalgae as SCP contains above 50% protein over dry weight and specifically for the marine microalgae Dunaliella salina the amount stays around 57% (Becker 2007). Commercially the most common system for Dunaliella sp. production is the outdoor open pond, thus the microalgal cells are subjected to a natural light/dark cycle (Hosseini Tafreshi & Shariati 2009). Being photo-autotrophic microorganisms, the lack of light energy sources is a risk leading to night biomass loss (Ogbonna & Tanaka 1996). On the other hand, for some microalgae species cell division occurs primarily during the night suggesting its night protein synthesis (Cuhel et al. 1984). As a consequence, day and night metabolisms of microalgae introduced by light/dark cycles potentially will have big impacts on the biomass development, both in growth and biochemical composition. In this study, the effect of the light/dark cycle on the growth and protein synthesis of Dunaliella salina was explored in comparison with continuous light cultivation. |
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Edition |
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ISSN |
1379-1176 |
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UA library record |
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no |
Call Number |
UA @ admin @ c:irua:151148 |
Serial |
7950 |
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Author |
Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. |
Title |
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
Volume |
23 |
Issue |
35 |
Pages |
19781-19789 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec) |
Abstract |
The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedforward Neural Network (FNN) yield the best performance for identification of the AC. At its best, FNN allows near-perfect AC determination, with accuracy of prediction up to 0.995, while RF combines good predictive accuracy (up to 0.940) with the ability to identify the spectral areas important for the identification of the AC. No loss in performance of either model is observed as long as the spectral sampling interval used does not exceed the spectral bandwidth. Increasing the sampling interval proves to be the best method to lower the dimensionality of the input data, thereby decreasing the computational cost associated with the training of the models. |
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Wos |
000691366500001 |
Publication Date |
2021-08-25 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 4.123 |
Call Number |
UA @ admin @ c:irua:180290 |
Serial |
7951 |
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Author |
Santer, R.; Schadkowski, C.; Blanchet, A.; Saison, J.-Y.; Poinsot, C.; Ramon, D.; Roekens, E.; Verlinden, L.; Van Grieken, R.; Stranger, M.; Mees, J. |
Title |
Expositions des populations vivant au cœur de l'Euro-région auz polluants atmosphériques: le cas des poussières fines = Blootstelling van de bevolkingsgroepen wonend in het hart van de Euregio aan polluerende atmosferische deeltjes: het geval van de fijne stofdeeltjes |
Type |
Minutes and reports |
Year |
2005 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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Keywords |
Minutes and reports; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:56167 |
Serial |
7952 |
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Author |
Berghmans, P.; Bleux, N.; Int Panis, L.; Mishra, V.K.; Torfs, R.; Van Poppel, M. |
Title |
Exposure assessment of a cyclist to PM10 and ultrafine particles |
Type |
A1 Journal article |
Year |
2009 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
407 |
Issue |
4 |
Pages |
1286-1298 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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. |
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000262573200005 |
Publication Date |
2008-12-03 |
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ISSN |
0048-9697; 1879-1026 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:94563 |
Serial |
7953 |
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Author |
De Schepper, V.C.J.; Holvoet, K.M.A.; Benedetti, L.; Seuntjens, P.; Vanrolleghem, P.A. |
Title |
Extension of the river water quality model no. 1 with the fate of pesticides |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Journal of hydroinformatics |
Abbreviated Journal |
|
Volume |
14 |
Issue |
1 |
Pages |
48-64 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
The existing River Water Quality Model No. 1 (RWQM1) was extended with processes determining the fate of non-volatile pesticides in the water phase and sediments. The exchange of pesticides between the water column and the sediment is described by three transport processes: diffusion, sedimentation and resuspension. Burial of sediments is also included. The modified model was used to simulate the concentrations of diuron and chloridazon in the river Nil. A good agreement was found between the simulated pesticide concentrations and measured values resulting from a four-month intensive monitoring campaign. The simulation results indicate that pesticide concentrations in the bulk water are not sensitive to the selected biochemical model parameters. it seems that these concentrations are mainly determined by the imposed upstream concentrations, run-off and direct losses. The high concentrations in the bulk water were not observed in the sediment pore water due to a limited exchange between the water column and the sediment. According to a sensitivity analysis, the observed pesticide concentrations are highly sensitive to the diffusion and sorption coefficients. Therefore, model users should determine these parameters with accuracy in order to reduce the degree of uncertainty in their results. |
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Wos |
000298618300004 |
Publication Date |
2011-10-25 |
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Edition |
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ISSN |
1464-7141 |
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UA library record; WoS full record; WoS citing articles |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:96257 |
Serial |
7954 |
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Author |
de Bock, L.A.; Treiger, B.; van der Auwera, L.; Van Grieken, R.E. |
Title |
Extraction of environmental information from large aerosol data sets through combined application of cluster and factor analysis |
Type |
A1 Journal article |
Year |
1998 |
Publication |
Microchimica acta |
Abbreviated Journal |
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Volume |
128 |
Issue |
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Pages |
191-200 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000071438000008 |
Publication Date |
2005-02-26 |
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ISSN |
0026-3672; 1436-5073 |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:20959 |
Serial |
7955 |
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Author |
Demiroglu, I.; Sevik, C. |
Title |
Extraordinary negative thermal expansion of two-dimensional nitrides : a comparative ab initio study of quasiharmonic approximation and molecular dynamics simulations |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
103 |
Issue |
8 |
Pages |
085430 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Thermal expansion behavior of two-dimensional (2D) nitrides and graphene were studied by ab initio molecular dynamics (MD) simulations as well as quasiharmonic approximation (QHA). Anharmonicity of the acoustic phonon modes are related to the unusual negative thermal expansion (NTE) behavior of the nitrides. Our results also hint that direct ab initio MD simulations are a more elaborate method to investigate thermal expansion behavior of 2D materials than the QHA. Nevertheless, giant NTE coefficients are found for h-GaN and h-AlN within the covered temperature range 100-600 K regardless of the chosen computational method. This unusual NTE of 2D nitrides is reasoned with the out-of-plane oscillations related to the rippling behavior of the monolayers. |
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Wos |
000620346100007 |
Publication Date |
2021-02-22 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
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Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 3.836 |
Call Number |
UA @ admin @ c:irua:176671 |
Serial |
7956 |
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Author |
Dirtu, A.C.; Ravindra, K.; Roosens, L.; Van Grieken, R.; Neels, H.; Blust, R.; Covaci, A. |
Title |
Fast analysis of decabrominated diphenyl ether using low-pressure gas chromatography.electron-capture negative ionization mass spectrometry |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of chromatography : A |
Abbreviated Journal |
|
Volume |
1186 |
Issue |
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Pages |
295-301 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre |
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Wos |
000254884700024 |
Publication Date |
2007-07-23 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0021-9673 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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no |
Call Number |
UA @ admin @ c:irua:67546 |
Serial |
7957 |
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Author |
Meerburg, F.A.; Rahman, A.; Van Winckel, T.; Pauwels, K.; De Clippeleir, H.; Al-Omari, A.; Murthy, S.; Boon, N.; Vlaeminck, S.E. |
Title |
Fast and furious : optimization and validation of high-rate contact stabilization (HiCS) for recovery of organics from sewage |
Type |
P3 Proceeding |
Year |
2016 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
3 p.
T2 - WEF/IWA Nutrient Removal and Recovery Co |
Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
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Additional Links |
UA library record |
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no |
Call Number |
UA @ admin @ c:irua:151132 |
Serial |
7958 |
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Author |
Godoi, A.F.L.; Ravindra, K.; Godoi, R.H.M.; Andrade, S.J.; Santiago-Silva, M.; Van Vaeck, L.; Van Grieken, R. |
Title |
Fast chromatographic determination of polycyclic aromatic hydrocarbons in aerosol samples from sugar cane burning |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Journal of chromatography: A: bibliography section |
Abbreviated Journal |
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Volume |
1027 |
Issue |
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Pages |
49-53 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000188498900008 |
Publication Date |
2003-11-15 |
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Abbreviated Series Title |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:43528 |
Serial |
7959 |
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Author |
György, K.; Ajtony, Z.; van Meel, K.; Van Grieken, R.; Czitrovszky, A.; Bencs, L. |
Title |
Fast heating induced impulse halogenation of refractory sample components in electrothermal atomic absorption spectrometry by direct injection of a liquid halogenating agent |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
|
Volume |
85 |
Issue |
3 |
Pages |
1253-1259 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A novel electrothermal atomic absorption spectrometry (ETAAS) method was developed for the halogenation of refractory sample components (Er, Nd and Nb) of lithium niobate (LiNbO3) and bismuth tellurite (Bi2TeO5) optical single crystals to overcome memory effects and carry-over. For this purpose, the cleaning step of a regular graphite furnace heating program was replaced with a halogenation cycle. In this cycle, after the graphite tube cooled to room temperature, a 20 μL aliquot of liquid carbon tetrachloride (CCl4) was dispensed with a conventional autosampler into the graphite tube. The CCl4 was partially dried at 80 °C under the mini-flow (40 cm3 min−1) condition of the Ar internal furnace gas (IFG), then the residue was decomposed (pyrolyzed) by fast furnace heating at 19002100 °C under interrupted flow of the IFG. This step was followed by a clean-out stage at 2100 °C under the maximum flow of the IFG. The advantage of the present method is that it does not require any alteration to the graphite furnace gas supply system in contrast to most of the formerly introduced halogenation techniques. The effectiveness of the halogenation method was verified with the determination of Er and Nd dopants in the optical crystals. In these analyses, a sensitivity decrease was observed, which was likely due to the enhanced deterioration of the graphite tube surface. Therefore, the application of mathematical correction (resloping) of the calibration was also required. The calibration curves were linear up to 1.5 and 10 μmol L−1 for Er and Nd, respectively. Characteristic masses of 18 and 241 pg and the limit of detection (LOD) values of 0.017 and 0.27 μmol L−1 were found for Er and Nd, respectively. These LOD data correspond to 0.68 μmol mol−1 Er and 11 μmol mol−1 Nd in solid bismuth tellurite samples. The analytical results were compared with those obtained by a conventional ETAAS method and validated with X-ray fluorescence spectrometry analysis. |
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Wos |
000294092800006 |
Publication Date |
2011-05-27 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0039-9140; 1873-3573 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:91721 |
Serial |
7960 |
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Author |
Struyf, H.; van Roy, W.; Van Vaeck, L.; Van Grieken, R.; Caravatti, P. |
Title |
The feasibility of Fourier transform laser microprobe mass spectrometry for applications of local and surface analysis |
Type |
P3 Proceeding |
Year |
1994 |
Publication |
Proceedings of the European FTMS Workshop |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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ISBN |
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UA library record |
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Times cited |
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Open Access |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:9520 |
Serial |
7961 |
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Author |
Dekov, V.M.; Vanlierde, E.; Billström, K.; Gatto Rotondo, G.; van Meel, K.; Darchuk, L.; Van Grieken, R.; et al. |
Title |
Ferrihydrite precipitation in groundwater-fed river systems (Nete and Demer river basins, Belgium) : insights from a combined Fe-Zn-Sr-Nd-Pb-isotope study |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Chemical geology |
Abbreviated Journal |
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Volume |
386 |
Issue |
|
Pages |
1-15 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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. |
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Wos |
000345441000001 |
Publication Date |
2014-08-08 |
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0009-2541 |
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UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:118323 |
Serial |
7962 |
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Author |
Clima, S.; O'Sullivan, B.J.; Ronchi, N.; Bardon, M.G.; Banerjee, K.; Van den Bosch, G.; Pourtois, G.; van Houdt, J. |
Title |
Ferroelectric switching in FEFET : physics of the atomic mechanism and switching dynamics in HfZrOx, HfO2 with oxygen vacancies and Si dopants |
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P1 Proceeding |
Year |
2020 |
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P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The fine balance between dipole-field energy and anion drift force defines the switching mechanism during polarization reversal: for the first time we show that only Pbcm mechanism obeys the ferroelectric switching physics, whereas P4(2)/nmc (or any other) mechanism does not. However, with lower energy barrier, it represents an important antiferroelectric mechanism. Constraints relaxation can lead to 90 degrees polarization rotation (domain deactivation). Intrinsically, the Si/VO-doping can switch faster than undoped HfO2 or HfZrOx. Theoretical Arrhenius model / intrinsic material switching (DFT) overestimates the switching speed extracted from experiments. |
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000717011600218 |
Publication Date |
2021-03-11 |
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978-1-7281-8888-1 |
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UA library record; WoS full record; WoS citing articles |
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Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:184730 |
Serial |
7963 |
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Author |
Grunert, O.; Robles Aguilar, A.A.; Hernandez-Sanabria, E.; Reheul, D.; Vlaeminck, S.E.; Boon, N.; Jablonowski, N.D. |
Title |
Fertilizer type influences dynamics of the microbial community structure in the rhizosphere of tomato and impact the nutrient turnover and plant performance |
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A2 Journal article |
Year |
2016 |
Publication |
Communications in agricultural and applied biological sciences |
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Volume |
81 |
Issue |
1 |
Pages |
67-73 |
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A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Ammonia-oxidizing microorganisms (AOB and AOA) and nitrite oxidizing bacteria (NOB) are the most important organisms responsible for ammonia and nitrite oxidation in agricultural ecosystems and growing media. Ammonia and nitrite oxidation are critical steps in the soil nitrogen cycle and can be affected by the application of mineral fertilizers or organic fertilizers. The functionality of the microbial community has a major impact on the nutrient turnover and will finally influence plant performance. The microbial community associated with the growing medium and its functionality will also be influenced by the rhizosphere and the bulk soil. In our study, we used a tomato plant with a high root exudation capacity in order to stimulate microbial activity. We studied plant performance in rhizotrons (a phentotyping system for imaging roots), including an optical method (planar optodes) for non-invasive, quantitative and high-resolution imaging of pH dynamics in the rhizosphere and adjacent medium. The horticultural growing medium was supplemented with organic-derived nitrogen or ammonium derived from struvite. The possible differences in the root structure between treatments is compared with the total root length. Destructive growing medium sampling and high throughput sequencing analysis of the bacterial abundance of the communities present in the rhizosphere and the bulk soil is used to study the growing medium-associated microbial community structure and functionality, and this will be related to pH changes in the rhizosphere and the bulk soil. Our hypothesis is that the growing medium-associated microbial community structure changes depending on the nitrogen form provided and we expect a higher abundance of bacteria in the treatment with organic fertilizer and a higher abundance of AOB and NOB in the rhizosphere in comparison to the bulk soil. |
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ISSN |
1379-1176 |
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UA library record |
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no |
Call Number |
UA @ admin @ c:irua:151149 |
Serial |
7964 |
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Author |
Verreydt, G.; Annable, M.D.; Kaskassian, S.; van Keer, I.; Bronders, J.; Diels, L.; Vanderauwera, P. |
Title |
Field demonstration and evaluation of the passive flux meter on a CAH groundwater plume |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Environmental Science and Pollution Research |
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Volume |
20 |
Issue |
7 |
Pages |
4621-4634 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) |
Abstract |
This study comprises the first application of the Passive Flux Meter (PFM) for the measurement of chlorinated aliphatic hydrocarbon (CAH) mass fluxes and Darcy water fluxes in groundwater at a European field site. The PFM was originally developed and applied to measurements near source zones. The focus of the PFM is extended from near source to plume zones. For this purpose, 48 PFMs of 1.4 m length were constructed and installed in eight different monitoring wells in the source and plume zone of a CAH-contaminated field site located in France. The PFMs were retrieved, sampled, and analyzed after 3 to 11 weeks of exposure time, depending on the expected contaminant flux. PFM evaluation criteria include analytical, technical, and practical aspects as well as conditions and applicability. PFM flux data were compared with so-called traditional soil and groundwater concentration data obtained using active sampling methods. The PFMs deliver reasonable results for source as well as plume zones. The limiting factor in the PFM applicability is the exposure time together with the groundwater flux. Measured groundwater velocities at the field site range from 2 to 41 cm/day. Measured contaminant flux data raise up to 13 g/m(2)/day for perchloroethylene in the plume zone. Calculated PFM flux averaged concentration data and traditional concentration data were of similar magnitude for most wells. However, both datasets need to be compared with reservation because of the different sampling nature and time. Two important issues are the PFM tracer loss during installation/extraction and the deviation of the groundwater flow field when passing the monitoring well and PFM. The demonstration of the PFM at a CAH-contaminated field site in Europe confirmed the efficiency of the flux measurement technique for source as well as plume zones. The PFM can be applied without concerns in monitoring wells with European standards. The acquired flux data are of great value for the purpose of site characterization and mass discharge modeling, and can be used in combination with traditional soil and groundwater sampling methods. |
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Wos |
000321126700030 |
Publication Date |
2013-01-02 |
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0944-1344; 1614-7499 |
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UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:109817 |
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7965 |
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Author |
Gysels, K.; Van Grieken, R. |
Title |
Field evaluation of a wind tunnel-impactor system for sampling ambient aerosols |
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A1 Journal article |
Year |
1999 |
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Journal of aerosol science |
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30 |
Issue |
5 |
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639-650 |
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A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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000079182300008 |
Publication Date |
2002-07-25 |
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0021-8502; 1879-1964 |
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UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:23180 |
Serial |
7966 |
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