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Author |
Van Dyck, P.; Markowicz, A.; Van Grieken, R. |
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Title |
Influence of sample thickness, excitation energy and geometry on particle size effects in XRF |
Type |
A1 Journal article |
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Year |
1985 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
14 |
Issue |
4 |
Pages |
183-187 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Wos |
A1985ATB6100007 |
Publication Date |
2005-05-28 |
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Series Volume |
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Series Issue |
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ISSN |
0049-8246 |
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UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:116486 |
Serial |
8097 |
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Author |
Spolnik, Z.; Osán, J.; Klepka, M.; Lawniczak-Jablonska, K.; Van Grieken, R.; Molak, A.; Potgieter, J.H. |
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Title |
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 |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
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Volume |
60 |
Issue |
4 |
Pages |
525-530 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000229955200012 |
Publication Date |
2005-04-28 |
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Edition |
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ISSN |
0584-8547; 1873-3565 |
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UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:52668 |
Serial |
8128 |
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Author |
Verbueken, A.H.; Van Grieken, R.E.; Paulus, G.J.; Verpooten, G.A.; de Broe, M.E. |
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Title |
Laser microprobe mass spectrometry of platinum in dog kidney after cisplatin adminstration |
Type |
A3 Journal article |
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Year |
1984 |
Publication |
Biomedical mass spectrometry |
Abbreviated Journal |
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Volume |
11 |
Issue |
4 |
Pages |
159-163 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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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. |
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Publication Date |
2005-05-28 |
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Edition |
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ISSN |
0306-042x |
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UA library record |
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Call Number |
UA @ admin @ c:irua:116712 |
Serial |
8165 |
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Author |
Marguí, E.; van Meel, K.; Van Grieken, R.; Buendía, A.; Fontás, C.; Hidalgo, M.; Queralt, I. |
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Title |
Method for the determination of Pd-catalyst residues in active pharmaceutical ingredients by means of high-energy polarized-beam energy dispersive X-ray fluorescence |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
81 |
Issue |
4 |
Pages |
1404-1410 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Wos |
000263319000015 |
Publication Date |
2009-01-22 |
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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 |
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Call Number |
UA @ admin @ c:irua:74340 |
Serial |
8220 |
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Permanent link to this record |
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Author |
Cataldo, M.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.; Van Grieken, R. |
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Title |
Mineral dust variability in central West Antarctica associated with ozone depletion |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Atmospheric chemistry and physics |
Abbreviated Journal |
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Volume |
13 |
Issue |
4 |
Pages |
2165-2175 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Wos |
000315406600027 |
Publication Date |
2013-02-25 |
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Edition |
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ISSN |
1680-7316; 1680-7324 |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:105832 |
Serial |
8250 |
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Permanent link to this record |
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Author |
Ro, C.-U.; Osán, J.; Szalóki, I.; de Hoog, J.; Worobiec, A.; Van Grieken, R. |
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Title |
A Monte Carlo program for quantitative electron-induced x-ray analysis of individual particles |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
75 |
Issue |
4 |
Pages |
851-859 |
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Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000181073800021 |
Publication Date |
2003-02-14 |
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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 |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:40613 |
Serial |
8279 |
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Permanent link to this record |
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Author |
Van Dyck, P.; Török, S.; Van Grieken, R. |
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Title |
Monte Carlo simulation of backscattered peaks in secondary target energy-dispersive X-ray spectra |
Type |
A1 Journal article |
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Year |
1986 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
15 |
Issue |
4 |
Pages |
231-238 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Wos |
A1986E535600001 |
Publication Date |
2005-05-28 |
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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 |
ISBN |
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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 |
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Call Number |
UA @ admin @ c:irua:113612 |
Serial |
8280 |
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Permanent link to this record |
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Author |
Van Grieken, R. |
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Title |
New Chinese members of the Advisory Board of X-Ray Spectrometry |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
35 |
Issue |
4 |
Pages |
205-206 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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 |
0049-8246 |
ISBN |
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Additional Links |
UA library record |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:58861 |
Serial |
8297 |
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Permanent link to this record |
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Author |
Treiger, B.; Injuk, J.; Bondarenko, I.; van Espen, P.; Van Grieken, R.; Breitenbach, L.; Wätjen, U. |
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Title |
Non-linear mapping of microbeam proton-induced X-ray emission data for source identification of North Sea aerosols |
Type |
A1 Journal article |
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Year |
1994 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
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Volume |
49 |
Issue |
4 |
Pages |
345-353 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Wos |
A1994NM41200004 |
Publication Date |
2003-04-25 |
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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 |
0584-8547; 1873-3565 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:9500 |
Serial |
8314 |
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Permanent link to this record |
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Author |
Arana, A.; Loureiro, A.L.; Barbosa, H.M.J.; Van Grieken, R.; Artaxo, P. |
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Title |
Optimized energy dispersive X-ray fluorescence analysis of atmospheric aerosols collected at pristine and perturbed Amazon Basin sites |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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Volume |
43 |
Issue |
4 |
Pages |
228-237 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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. |
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Wos |
000337724600006 |
Publication Date |
2014-06-09 |
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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 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:118419 |
Serial |
8342 |
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Permanent link to this record |
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Author |
Jacquet, S.H.M.; Henjes, J.; Dehairs, F.; Worobiec, A.; Savoye, N.; Cardinal, D. |
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Title |
Particulate ba-barite and acantharians in the Southern Ocean during the European iron fertilization experiment (EIFEX) |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of geophysical research: G: biogeosciences |
Abbreviated Journal |
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Volume |
112 |
Issue |
4 |
Pages |
04006,1-11 |
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Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000250522300001 |
Publication Date |
2007-10-22 |
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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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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:66683 |
Serial |
8359 |
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Permanent link to this record |
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Author |
Avigo, D.; Godoi, A.F.L.; Janissek, P.R.; Makarovska, Y.; Krata, A.; Potgieter-Vermaak, S.; Alfoldy, B.; Van Grieken, R.; Godoi, R.H.M. |
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Title |
Particulate matter analysis at elementary schools in Curitiba, Brazil |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
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Volume |
391 |
Issue |
4 |
Pages |
1459-1468 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
000256088700043 |
Publication Date |
2008-03-24 |
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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 |
1618-2642; 1618-2650 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:68797 |
Serial |
8360 |
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Permanent link to this record |
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Author |
Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M. |
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Title |
Possibilities of energy-resolved X-ray radiography for the investigation of paintings |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
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Volume |
402 |
Issue |
4 |
Pages |
1471-1480 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000299842000008 |
Publication Date |
2011-07-14 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1618-2642; 1618-2650 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
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Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:96200 |
Serial |
8394 |
|
Permanent link to this record |
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Author |
Mudronja, D.; Vanmeert, F.; Fazinic, S.; Janssens, K.; Tibljas, D.; Desnica, V. |
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Title |
Protection of stone monuments using a brushing treatment with ammonium oxalate |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Coatings |
Abbreviated Journal |
Coatings |
|
|
Volume |
11 |
Issue |
4 |
Pages |
379 |
|
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
Stone monuments and buildings are susceptible to weathering. Carbonate-based stones are especially vulnerable in acidic environments, whereas magmatic acidic stones are more susceptible to chemical weathering in basic environments. To slow down surface corrosion of limestone and marble artworks/buildings, protective coatings which inhibit calcite dissolution have been proposed. In this work, samples from two stone types with different porosity were treated with ammonium oxalate (AmOx) to create a protective layer of calcium oxalate (CaOx) using the previously developed brushing method. Two different synchrotron microscopy experiments were performed to determine its protective capability. X-ray powder diffraction (SR-mu-XRPD) in transmission geometry allowed visualization of the distributions of calcium carbonate and oxalates along the sample depths. In a second step, X-ray fluorescence (SR-mu-XRF) was used to check the efficiency/integrity of the protective surface coating layer. This was done by measuring the sulfur distribution on the stone surface after exposing the protected stones to sulfuric acid. XRPD showed the formation of a protective oxalate layer with a thickness of 5-15 mu m on the less porous stone, while a 20-30 mu m thick layer formed on the more porous stone. The XRF study showed that the optimal treatment time depends on the stone porosity. Increasing the treatment time from 1 to 3 h resulted in a decreased efficiency of the protective layer for the low porosity stone. We assume that this is due to the formation of vertical channels (cracks) in the protective layer. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000642940900001 |
Publication Date |
2021-03-25 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2079-6412 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.175 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 2.175 |
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|
Call Number |
UA @ admin @ c:irua:178271 |
Serial |
8428 |
|
Permanent link to this record |
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Author |
Ravindra, K.; Bencs, L.; Wauters, E.; de Hoog, J.; Deutsch, F.; Roekens, E.; Bleux, N.; Berghmans, P.; Van Grieken, R. |
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Title |
Seasonal and site-specific variation in vapour and aerosol phase PAHs over Flanders (Belgium) and their relation with anthropogenic activities |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
|
|
|
Volume |
40 |
Issue |
4 |
Pages |
771-785 |
|
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000235764300016 |
Publication Date |
2005-11-29 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1352-2310 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
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Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:55412 |
Serial |
8499 |
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Permanent link to this record |
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Author |
Samek, L.; Ostachowicz, B.; Worobiec, A.; Spolnik, Z.; Van Grieken, R. |
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Title |
Speciation of selected metals in aerosol samples by TXRF after sequential leaching |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
|
|
Volume |
35 |
Issue |
4 |
Pages |
226-231 |
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|
Keywords |
A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000239321500004 |
Publication Date |
2006-06-29 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:58901 |
Serial |
8572 |
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Permanent link to this record |
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Author |
Godoi, R.H.M.; Potgieter-Vermaak, S.; de Hoog, J.; Kaegi, R.; Van Grieken, R. |
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Title |
Substrate selection for optimum qualitative and quantitative single atmospheric particles analysis using nano-manipulation, sequential thin-window electron probe X-ray microanalysis and micro-Raman spectrometry |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
|
|
|
Volume |
61 |
Issue |
4 |
Pages |
375-388 |
|
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000238887600002 |
Publication Date |
2006-03-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0584-8547; 1873-3565 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:58860 |
Serial |
8614 |
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Permanent link to this record |
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Author |
Roekens, E.; Bleyen, C.; Van Grieken, R. |
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Title |
Sulphite and sulphate concentrations in weathering products of sandy limestone and in deposition samples |
Type |
A1 Journal article |
|
Year |
1989 |
Publication |
Environmental pollution |
Abbreviated Journal |
|
|
|
Volume |
57 |
Issue |
4 |
Pages |
289-298 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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|
Abstract |
The sulphite and sulphate concentrations in weathering products of limestone and in wet and total deposition samples were measured by the modified West-Gaeke method and by ion chromatography. The sulphite content in the weathering crust and in the runoff rainwater of two historical buildings in Belgium, was always much lower than the sulphate content. The maximum sulphite to sulphate ratio was 2·5%. The sulphite concentration in wet and total deposition samples was in the low or sub ppm range except during two misty periods when the sulphite concentration was 6·8 and 21 mg litre−1. In those samples a high sulphate concentration was also found (nl. 57 and 137 mg litre−1, respectively). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
A1989U130000003 |
Publication Date |
2003-09-12 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0269-7491; 1873-6424 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
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Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:116814 |
Serial |
8621 |
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Permanent link to this record |
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Author |
Potgieter-Vermaak, S.; Stranger, M.; Verlinden, L.; Roekens, E.; Van Grieken, R. |
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Title |
NO2 verkeersmetingen in Vlaanderen door passieve bemonstering |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Die Suid-Afrikaanse tydskrif vir natuurwetenskap en tegnologie |
Abbreviated Journal |
|
|
|
Volume |
27 |
Issue |
4 |
Pages |
266-286 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
|
|
ISSN |
0254-3486; 2222-4173 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:72494 |
Serial |
8650 |
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Permanent link to this record |
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|
Author |
Liu, Y.; Cánovas, R.; Crespo, G.A.; Cuartero, M. |
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Title |
Thin-layer potentiometry for creatinine detection in undiluted human urine using ion-exchange membranes as barriers for charged interferences |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Analytical Chemistry |
Abbreviated Journal |
Anal Chem |
|
|
Volume |
92 |
Issue |
4 |
Pages |
3315-3323 |
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|
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
Herein, thin-layer potentiometry combined with ion-exchange membranes as barriers for charged interferences is demonstrated for the analytical detection of creatinine (CRE) in undiluted human urine. Briefly, CRE diffuses through an anion-exchange membrane (AEM) from a sample contained in one fluidic compartment to a second reservoir, containing the enzyme CRE deiminase. There, CRE reacts with the enzyme, and the formation of ammonium is dynamically monitored by potentiometric ammonium-selective electrodes. This analytical concept is integrated into a lab-on-a-chip microfluidic cell that allows for a high sample throughput and the operation under stop-flow mode, which allows CRE to passively diffuse across the AEM. Conveniently, positively charged species (i.e., potassium, sodium, and ammonium, among others) are repelled by the AEM and never reach the ammonium-selective electrodes; thus, possible interference in the response can be avoided. As a result, the dynamic potential response of the electrodes is entirely ascribed to the stoichiometric formation of ammonium. The new CRE biosensor exhibits a Nernstian slope, within a linear range of response from 1 to 50 mM CRE concentration. As expected, the response time (15–60 min) primarily depends on the CRE diffusion across the AEM. CRE analysis in urine samples displayed excellent results, without requiring sample pretreatment (before the introduction of the sample in the microfluidic chip) and with high compatibility with development into a potential point-of-care clinical tool. In an attempt to decrease the analysis time, the presented analytical methodology for CRE detection is translated into an all-solid-state platform, in which the enzyme is immobilized on the surface of the ammonium-selective electrode and with the AEM on top. While more work is necessary in this direction, the CRE sensor appears to be promising for CRE analysis in both urine and blood. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
|
Publication Date |
2020-01-23 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
7.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 7.4; 2020 IF: 6.32 |
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|
Call Number |
UA @ admin @ c:irua:184380 |
Serial |
8667 |
|
Permanent link to this record |
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Author |
Verbueken, A.; Michiels, E.; Van Grieken, R. |
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Title |
Total analysis of plant material and biological tissue by spark source mass spectrometry |
Type |
A3 Journal article |
|
Year |
1981 |
Publication |
Fresenius' Zeitschrift für analytische Chemie |
Abbreviated Journal |
|
|
|
Volume |
309 |
Issue |
4 |
Pages |
300-304 |
|
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
Analysis of biological material by spark source mass spectrometry is reported. Preliminary studies mainly based upon the analysis of the NBS standard reference material SRM-1571 (Orchard Leaves) are described. Attention is drawn to the importance of a suitable sample preparation method. The advantages of a wet digestion technique in a Teflon bomb are discussed and its use is justified by the satisfactory overall analysis precision of about 20%. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
|
Publication Date |
2004-11-15 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0016-1152 |
ISBN |
|
Additional Links |
UA library record |
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|
Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116639 |
Serial |
8675 |
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Permanent link to this record |
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Author |
Sauter, L.; Van der Ben, D.; Van Grieken, R. |
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Title |
Trace analysis of estuarine brown algae by energy-dispersive X-ray fluorescence |
Type |
A1 Journal article |
|
Year |
1979 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
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|
|
Volume |
8 |
Issue |
4 |
Pages |
159-163 |
|
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Brown algae, which are good indicators for estuarine metal pollution, can advantageously be analysed by energy-dispersive X-ray fluorescence. The use of thin film samples and samples of intermediate thickness has several advantages over the conventional thick pellet procedure. A quite homogeneous thin target is prepared by suspending 15 mg of dried and ground seaweed powder in bi-distilled water and evaporating the slurry on a 10 cm2 Mylar foil held in a Teflon ring. The effective sample weight in the beam is calculated by a procedure based on the scatter peaks in the spectrum. Sensitivities are typically in the 215 ppm range. The coefficient of variation per analysis averaged over ten elements amounts to 10%. The natural concentration variation in seaweed specimens at one location is 13%. Samples from locations in the more polluted western Scheldt estuary yield significantly higher values for several elements, relative to the eastern Scheldt sites. Possible trace element variations between the top and base of plants, and between different seaweed specimens and sampling seasons, are discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1979JC63700003 |
Publication Date |
2005-05-28 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
no |
|
|
Call Number |
UA @ admin @ c:irua:116481 |
Serial |
8687 |
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Permanent link to this record |
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Author |
Maso, L.; Trande, M.; Liberi, S.; Moro, G.; Daems, E.; Linciano, S.; Sobott, F.; Covaceuszach, S.; Cassetta, A.; Fasolato, S.; Moretto, L.M.; De Wael, K.; Cendron, L.; Angelini, A. |
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Title |
Unveiling the binding mode of perfluorooctanoic acid to human serum albumin |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Protein Science |
Abbreviated Journal |
Protein Sci |
|
|
Volume |
30 |
Issue |
4 |
Pages |
830-841 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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|
Abstract |
Perfluorooctanoic acid (PFOA) is a toxic compound that is absorbed and distributed throughout the body by noncovalent binding to serum proteins such as human serum albumin (hSA). Though the interaction between PFOA and hSA has been already assessed using various analytical techniques, a high resolution and detailed analysis of the binding mode is still lacking. We report here the crystal structure of hSA in complex with PFOA and a medium-chain saturated fatty acid (FA). A total of eight distinct binding sites, four occupied by PFOAs and four by FAs, have been identified. In solution binding studies confirmed the 4:1 PFOA-hSA stoichiometry and revealed the presence of one high and three low affinity binding sites. Competition experiments with known hSA-binding drugs allowed locating the high affinity binding site in sub-domain IIIA. The elucidation of the molecular basis of the interaction between PFOA and hSA might provide not only a better assessment of the absorption and elimination mechanisms of these compounds in vivo but also have implications for the development of novel molecular receptors for diagnostic and biotechnological applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000625392600001 |
Publication Date |
2021-02-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0961-8368 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.523 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 2.523 |
|
|
Call Number |
UA @ admin @ c:irua:176725 |
Serial |
8714 |
|
Permanent link to this record |
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Author |
Cagno, S.; Cosyns, P.; Ceglia, A.; Nys, K.; Janssens, K. |
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Title |
The use of vitrum obsianum in the Roman Empire: some new insights and future prospects |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Periodico di mineralogia |
Abbreviated Journal |
Period Mineral |
|
|
Volume |
84 |
Issue |
3a |
Pages |
465-482 |
|
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
|
Abstract |
The research on the use of obsidian in the Mediterranean is extensive but concerns almost exclusively volcanic glass from prehistoric and Bronze Age contexts. The consumption of obsidian during the Roman imperial period, however, has only occasionally received attention. Never a comprehensive account on what the Romans made in vitrum obsianum has been set up, nor have the sources exploited by them been examined. This paper provides a concise overview of the current knowledge on obsidian during the Roman imperial period and offers an introductory outline on potential research. The ancient writers inform us about the use of volcanic glass to create exclusive vessels, gemstones, mirrors and sculpture, but also about the creation of black appearing man-made glass initiated as a cheap and easier workable substitute of obsidian. The archaeological data on the other hand propose a more complex story with the occurrence of obsidian chunks in early Roman secondary glass workshops, and the bulky use of obsidian in late Antiquity to produce tesserae for the creation of wall and vault mosaics. Because it is extremely difficult to visually distinguish natural obsidian from man-made glass imitations we present in this paper data collected by means of non-destructive chemico-physical analyses SEM-EDX, portable X-ray fluorescence (p-XRF) and Raman spectroscopy to easily distinguish man-made glass from natural obsidian. In particular the use of portable instruments makes possible in situ analysis of objects in archaeological depots or museum collections to help defining distribution networks to better understand the shifting consumption patterns in Antiquity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000365632500007 |
Publication Date |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0369-8963 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
0.883 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
; Our sincere gratitude goes to Cecile Evers and Natacha Masar to have granted permission for studying and analysing various obsidian artefacts within the collections of the Royal Museums of Art and History, Brussels (Belgium). We are also very grateful to Roald Doctor, Daniele Foy and Laudine Robin, respectively for having provided the material from Carthage, for the Sidi Jdidi tessera and Lyon. Our appreciation also goes to Ian Freestone and Andrew Meek respectively for having worked out and provided the internal report on the horse foreleg in the British Museum. Finally we wish to thank Jennifer Price, Maria Grazia Diani respectively for the information on the Stanwick fragment and the piece in the Pogliaghi-Varesse collection. This research was supported by the Hercules Foundation (Brussels) with the grant AUHA09004 and FWO (Brussels, Belgium) projects no. G.0C12.13 and G.01769.09 and partly by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/ F50. ; |
Approved |
Most recent IF: 0.883; 2015 IF: 0.464 |
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Call Number |
UA @ admin @ c:irua:130244 |
Serial |
5876 |
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Permanent link to this record |
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Author |
Worobiec, A.; Szalóki, I.; Osán, J.; Maenhaut, W.; Stefaniak, E.A.; Van Grieken, R. |
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Title |
Characterisation of Amazon Basin aerosols at the individual particle level by X-ray microanalytical techniques |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
41 |
Issue |
39 |
Pages |
9217-9230 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000252260400031 |
Publication Date |
2007-08-09 |
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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 |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:65964 |
Serial |
7593 |
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Permanent link to this record |
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Author |
Janssens, K.; van der Snickt, G.; Vanmeert, F.; Legrand, S.; Nuyts, G.; Alfeld, M.; Monico, L.; Anaf, W.; de Nolf, W.; Vermeulen, M.; Verbeeck, J.; De Wael, K. |
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Title |
Non-invasive and non-destructive examination of artistic pigments, paints, and paintings by means of X-Ray methods |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Topics in Current Chemistry |
Abbreviated Journal |
Topics Curr Chem |
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Volume |
374 |
Issue |
374 |
Pages |
81 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Recent studies are concisely reviewed, in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples, and/or entire paintings from the seventeenth to the early twentieth century painters. 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 XRF is a variant of the method that is well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi-layers, on the length scale from 1 to 100 μm inside micro-samples taken from paintings. In the context of the characterization of artists pigments subjected 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 spectroscopy and/or Raman microscopy since these methods deliver complementary information of high molecular specificity at more or less the same length scale as the X-ray microprobe techniques. Since microscopic investigation of a relatively limited number of minute paint samples, taken from a given work of art, may not yield representative information about the entire artefact, several methods for macroscopic, non-invasive imaging have recently been developed. Those based on XRF scanning and full-field hyperspectral imaging appear very promising; some recent published results are discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Springer international publishing ag |
Place of Publication |
Cham |
Editor |
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Language |
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Wos |
000391178900006 |
Publication Date |
2016-11-21 |
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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 |
2365-0869;2364-8961; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.033 |
Times cited |
50 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 4.033 |
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Call Number |
UA @ lucian @ c:irua:139930UA @ admin @ c:irua:139930 |
Serial |
4443 |
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Permanent link to this record |
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Author |
Trashin, S.; De Jong, M.; Luyckx, E.; Dewilde, S.; De Wael, K. |
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Title |
Electrochemical evidence for neuroglobin activity on NO at physiological concentrations |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of biological chemistry |
Abbreviated Journal |
J Biol Chem |
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Volume |
291 |
Issue |
36 |
Pages |
18959-18966 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The true function of neuroglobin (Ngb) and, particularly, human Ngb (NGB) has been under debate since its discovery 15 years ago. It has been expected to play a role in oxygen binding/supply, but a variety of other functions have been put forward, including NO dioxygenase activity. However, in vitro studies that could unravel these potential roles have been hampered by the lack of an Ngb-specific reductase. In this work, we used electrochemical measurements to investigate the role of an intermittent internal disulfide bridge in determining NO oxidation kinetics at physiological NO concentrations. The use of a polarized electrode to efficiently interconvert the ferric (Fe3+) and ferrous (Fe2+) forms of an immobilized NGB showed that the disulfide bridge both defines the kinetics of NO dioxygenase activity and regulates appearance of the free ferrous deoxy-NGB, which is the redox active form of the protein in contrast to oxy-NGB. Our studies further identified a role for the distal histidine, interacting with the hexacoordinated iron atom of the heme, in oxidation kinetics. These findings may be relevant in vivo, for example in blocking apoptosis by reduction of ferric cytochrome c, and gentle tuning of NO concentration in the tissues. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000383242300031 |
Publication Date |
2016-07-12 |
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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 |
0021-9258; 1083-351x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.125 |
Times cited |
11 |
Open Access |
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Notes |
; This work was supported by Fonds Wetenschappelijk Onderzoek (FWO) Grant G.0687.13 and Universiteit Antwerpen GOA BOF 28312. The authors declare that they have no conflicts of interest with the contents of this article. ; |
Approved |
Most recent IF: 4.125 |
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Call Number |
UA @ admin @ c:irua:134340 |
Serial |
5590 |
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Permanent link to this record |
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Author |
Mmari, A.G.; Potgieter-Vermaak, S.S.; Uiso, C.B.S.; Makundi, I.N.; Potgieter, J.H.; Van Grieken, R. |
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Title |
Corrosive marine atmosphere investigations in Tanzania: exposure sites and preliminary results |
Type |
A3 Journal article |
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Year |
2007 |
Publication |
Newsletter of the International Global Atmospheric Chemistry Project |
Abbreviated Journal |
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Volume |
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Issue |
36 |
Pages |
13-18 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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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 |
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Call Number |
UA @ admin @ c:irua:65012 |
Serial |
7739 |
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Permanent link to this record |
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Author |
Cristale, J.; Álvarez-Martín, A.; Rodriguez-Cruz, S.; Sanchez-Martin, M.J.; Lacorte, S. |
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Title |
Sorption and desorption of organophosphate esters with different hydrophobicity by soils |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
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Volume |
24 |
Issue |
36 |
Pages |
27870-27878 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Organophosphate esters (OPEs) are ubiquitous contaminants with potentially hazardous effects on both the environment and human health. Knowledge about the soil sorption-desorption process of organic chemicals is important in order to understand their fate, mobility, and bioavailability, enabling an estimation to be made of possible risks to the environment and biota. The aim of this study was to use the batch equilibrium technique to evaluate the sorption-desorption behavior of seven OPEs (TCEP, TCPP, TBEP, TDCP, TBP, TPhP, and EHDP) in soils with distinctive characteristics (two unamended soils and a soil amended with sewage sludge). The equilibrium concentrations of the OPEs were determined by high performance liquid chromatography coupled to a triple quadrupole mass spectrometer (HPLC-MS/MS). All the compounds were sorbed by the soils, and soil organic carbon (OC) played an important role in this process. The sorption of the most soluble OPEs (TCEP, TCPP, and TBEP) depended on soil OC content, although desorption was 58.1%. The less water-soluble OPEs (TDCP, TBP, TPhP, and EHDP) recorded total sorption (100% for TPhP and EHDP) or very high sorption (34.9%) by all the soils and were not desorbed, which could be explained by their highly hydrophobic nature, as indicated by the logarithmic octanol/water partition coefficient (K-ow) values higher than 3.8, resulting in a high affinity for soil OC. The results of the sorption-desorption of the OPEs by soils with different characteristics highlighted the influence of these compounds' physicochemical properties and the content and nature of soil OC in this process. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000417874400025 |
Publication Date |
2017-10-07 |
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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 |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:160642 |
Serial |
8558 |
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Permanent link to this record |
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Author |
Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. |
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Title |
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
35 |
Pages |
19781-19789 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec) |
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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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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000691366500001 |
Publication Date |
2021-08-25 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:180290 |
Serial |
7951 |
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Permanent link to this record |