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Author |
Romero-Pastor, J.; Duran, A.; Rodríguez-Navarro, A.B.; Van Grieken, R.; Cardell, C. |
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Title |
Compositional and quantitative microtextural characterization of historic paintings by micro-X-ray diffraction and Raman microscopy |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
83 |
Issue |
22 |
Pages |
8420-8428 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This work shows the benefits of characterizing historic paintings via compositional and microtextural data from micro-X-ray diffraction (μ-XRD) combined with molecular information acquired with Raman microscopy (RM) along depth profiles in paint stratigraphies. The novel approach was applied to identify inorganic and organic components from paintings placed at the 14th century Islamic UniversityMadrasah Yusufiyyain Granada (Spain), the only Islamic University still standing from the time of Al-Andalus (Islamic Spain). The use of μ-XRD to obtain quantitative microtextural information of crystalline phases provided by two-dimensional diffraction patterns to recognize pigments nature and manufacture, and decay processes in complex paint cross sections, has not been reported yet. A simple Nasrid (14th century) palette made of gypsum, vermilion, and azurite mixed with glue was identified in polychromed stuccos. Here also a Christian intervention was found via the use of smalt, barite, hematite, Brunswick green and gold; oil was the binding media employed. On mural paintings and wood ceilings, more complex palettes dated to the 19th century were found, made of gypsum, anhydrite, barite, dolomite, calcite, lead white, hematite, minium, synthetic ultramarine blue, and black carbon. The identified binders were glue, egg yolk, and oil. |
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Wos |
000296830200011 |
Publication Date |
2011-10-10 |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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UA library record; WoS full record; WoS citing articles |
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Times cited |
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no |
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Call Number  |
UA @ admin @ c:irua:92679 |
Serial |
7715 |
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Author |
Serneels, S.; Faber, K.; Verdonck, T.; van Espen, P.J. |
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Title |
Case specific prediction intervals for tri-PLS1 : the full local linearisation |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Chemometrics and intelligent laboratory systems |
Abbreviated Journal |
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Volume |
108 |
Issue |
2 |
Pages |
93-99 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
A new method to estimate case specific prediction uncertainty for univariate trilinear partial least squares (tri-PLS1) regression is introduced. This method is, from a theoretical point of view, the most exact finite sample approximation to true prediction uncertainty that has been reported up till now. Using the new method, different error sources can be propagated, which is an advantage that cannot be offered by data driven approaches such as the bootstrap. In a concise example, it is illustrated how the method can be applied. In the Appendix, efficient algorithms are presented to compute the estimates required. |
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Wos |
000295310000002 |
Publication Date |
2011-05-12 |
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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 |
0169-7439; 1873-3239 |
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 |
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Call Number |
UA @ admin @ c:irua:92788 |
Serial |
7580 |
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Author |
van der Linden, V.; Meesdom, E.; Devos, A.; van Dooren, R.; Nieuwdorp, H.; Janssen, E.; Balace, S.; Vekemans, B.; Vincze, L.; Janssens, K. |
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Title |
PXRF, \mu-XRF, vacuum \mu-XRF, and EPMA analysis of Email Champlevé objects present in Belgian museums |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
17 |
Issue |
5 |
Pages |
674-685 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The enamel of 20 Email Champlevé objects dating between the 12th and 19th centuries was investigated by means of microscopic and portable X-ray fluorescence analysis (μ-XRF and PXRF). Seven of these objects were microsampled and the fragments were analyzed with electron probe microanalysis (EPMA) and vacuum μ-XRF to obtain quantitative data about the composition of the glass used to produce these enameled objects. As a result of the evolution of the raw materials employed to produce the base glass, three different compositional groups could be discriminated. The first group consisted of soda-lime-silica glass with a sodium source of mineral origin (with low K content) that was opacified by addition of calcium antimonate crystals. This type of glass was only used in objects made in the 12th century. Email Champlevé objects from the beginning of the 13th century onward were enameled with soda-lime-silica glass with a sodium source of vegetal origin. This type of glass, which has a higher potassium content, was opacified with SnO2 crystals. The glass used for 19th century Email Champlevé artifacts was produced with synthetic and purified components resulting in a different chemical composition compared to the other groups. Although the four analytical techniques employed in this study have their own specific characteristics, they were all found to be suitable for classifying the objects into the different chronological categories. |
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Wos |
000295609100005 |
Publication Date |
2011-09-23 |
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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 |
1431-9276 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
9 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.891; 2011 IF: 3.007 |
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Call Number |
UA @ admin @ c:irua:92827 |
Serial |
5791 |
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Author |
Bencs, L.; Ravindra, K.; Van Grieken, R. |
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Title |
Platinum : environmental pollution and health effects |
Type |
H2 Book chapter |
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Year |
2011 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
580-595
T2 - Encyclopedia of environmental health |
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Keywords |
H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Wos |
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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 |
978-0-444-52273-3 |
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:93109 |
Serial |
8390 |
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Author |
Alejo, ellys; Morales, M.C.; Nuñez, V.; Bencs, L.; Van Grieken, R.; van Espen, P. |
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Title |
Monitoring of tropospheric ozone in the ambient air with passive samplers |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Microchemical journal |
Abbreviated Journal |
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Volume |
99 |
Issue |
2 |
Pages |
383-387 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Two sampling campaigns in suburban places in the north zone of Santa Clara city, Cuba, have been carried out on a weekly base with the use of Radiello passive diffusion tubes in order to monitor the tropospheric ozone (O3) levels in 2010. The first campaign was scheduled from February to April (cold season) and the second one in August and October (warm season), both of them at two sampling sites, i.e., Farm and School of Art Instructors. After aqueous extraction, the samples were analyzed by UVVIS spectrophotometry. A seasonal trend was observed with the maximum O3 concentrations in the cold season and the minimum levels in the warm season. Samples collected during the cold season showed the highest O3 levels. Higher levels were reached at the Farm site with average values of about 58 ± 12 μg/m3, which exceeded the limit of the Cuban Standard 99:1999. In the warm season, the O3 concentrations were similar for both sites, but lower than those observed in the cold season. The overall, seasonal average value was found to be 24 μg/m3. Despite the higher weekly average temperatures in August, the O3 concentrations during this month showed the lowest values of the whole sampling period, which finding is in agreement with that reported by the Meteorological Institute of Cuba. Mathematical models, based on the Cochrane-Orcutt algorithm, were fitted to the acquired data set to explain the change in the tropospheric ozone concentrations under various meteorological conditions during the two campaigns. The correlation coefficients for both the cold and the warm seasons demonstrated a strong correlation, i.e., 0.779 and 0.951, respectively. The high correlation of wind speed in the model from the first sampling campaign explains the sharp decrease in O3 concentrations at the SAI sampling site from the sixth week of sampling. |
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Wos |
000295770700034 |
Publication Date |
2011-06-26 |
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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 |
0026-265x; 0026-265x |
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:93294 |
Serial |
8277 |
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Author |
Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A. |
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Title |
A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Chemsuschem |
Abbreviated Journal |
Chemsuschem |
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Volume |
4 |
Issue |
10 |
Pages |
1457-1463 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2. |
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Wos |
000296497400010 |
Publication Date |
2011-05-20 |
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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 |
1864-5631 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.226 |
Times cited |
15 |
Open Access |
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Notes |
; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ; |
Approved |
Most recent IF: 7.226; 2011 IF: 6.827 |
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Call Number |
UA @ admin @ c:irua:93363 |
Serial |
5973 |
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Author |
Verbruggen, S.W.; Ribbens, S.; Tytgat, T.; Hauchecorne, B.; Smits, M.; Meynen, V.; Cool, P.; Martens, J.A.; Lenaerts, S. |
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Title |
The benefit of glass bead supports for efficient gas phase photocatalysis : case study of a commercial and a synthesised photocatalyst |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
174 |
Issue |
1 |
Pages |
318-325 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In the field of photocatalytic air purification, the immobilisation of catalyst particles on support surfaces without loss of photon efficiency is an important challenge. Therefore, an immobilisation method involving a one-step suspension coating of pre-synthesised photocatalysts on glass beads was applied. The various benefits are exemplified in the gas phase photodegradation of ethylene. Coating of glass beads is easy, fast, cheap and offers a more efficient alternative to bulk catalyst pellets. Furthermore, this coating procedure allows to use porous, pre-synthesised catalysts to their full potential, as the surface area and morphology of the initial powder is barely altered after coating, in strong contrast to pelletising. With this technique it became possible to study the gas phase photocatalytic activity of commercial titanium dioxide, trititanate nanotubes and mixed phase anatase/trititanate nanotubes in a packed bed reactor towards the degradation of ethylene without changing the catalyst properties. Coating of glass beads with the photocatalyst revealed the superior activity of the as-prepared nanotubes, compared to TiO2 Aerolyst® 7710 in gaseous phase. |
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Corporate Author |
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Wos |
000296950300041 |
Publication Date |
2011-09-17 |
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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 |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
39 |
Open Access |
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Notes |
; The author wishes to acknowledge the Research Foundation of Flanders (FWO) for the financial support. Evonik is greatly thanked for supplying the TiO<INF>2</ INF> Aerolyst (R) 7710 pellets. ; |
Approved |
Most recent IF: 6.216; 2011 IF: 3.461 |
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Call Number |
UA @ admin @ c:irua:93364 |
Serial |
5929 |
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Author |
Huyskens, C.; Lenaerts, S.; Brauns, E.; Diels, L.; de Wever, H. |
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Title |
Study of (ir)reversible fouling in MBRs under various operating conditions using new on-line fouling sensor |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Separation and purification technology |
Abbreviated Journal |
Sep Purif Technol |
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Volume |
81 |
Issue |
2 |
Pages |
208-215 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this study, a new fouling sensor was validated under different conditions of hydraulic (HRT) and sludge retention time (SRT). The MBR-VFM (membrane bioreactor-VITO Fouling Measurement) allows the simultaneous determination of the physically reversible and irreversible fouling potential of a mixed liquor during a single crossflow filtration test. In accordance with the on-line filtration behavior, the measured reversible and irreversible fouling propensities differed significantly between MBRs operated at different combinations of HRT-SRT. Moreover, a significant negative correlation was found between the on-line permeability and the reversible and irreversible fouling propensity measured by the MBR-VFM. This corresponded to observations made on membrane recovery after physical or chemical cleaning actions. Higher reversible and irreversible fouling were observed at lower HRT, presumably as a consequence of increased concentrations of foulants present. The effect of SRT was much smaller and restricted to the reversible fouling component. Possible explanations for the increased fouling at prolonged SRT are the higher sludge and colloid concentration and the smaller floc size. It can be concluded that the MBR-VFM is a useful tool to monitor fluctuations in a mixed liquors (ir)reversible fouling potential and can contribute to a deeper understanding of the occurring fouling phenomena. |
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Wos |
000296108500012 |
Publication Date |
2011-08-01 |
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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 |
1383-5866 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.359 |
Times cited |
15 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.359; 2011 IF: 2.921 |
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Call Number |
UA @ admin @ c:irua:93410 |
Serial |
5992 |
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Author |
Hauchecorne, B.; Tytgat, T.; Terrens, D.; Vanpachtenbeke, F.; Lenaerts, S. |
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Title |
Reaction chamber for studying a solid-gas interaction : PCT/EP2011/051075 |
Type |
Patent |
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Year |
2011 |
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 |
Patent; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:93411 |
Serial |
5988 |
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Author |
Buydens, L.; van Espen, P.; Rutan, S. |
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Title |
CAC-2010 : Twelfth international conference on chemometrics in analytical chemistry |
Type |
Editorial |
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Year |
2011 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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Volume |
705 |
Issue |
1/2 |
Pages |
1 |
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Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000295993900001 |
Publication Date |
2011-08-14 |
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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 |
0003-2670; 1873-4324 |
ISBN |
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Additional Links |
UA library record; WoS full 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:93573 |
Serial |
7570 |
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Author |
Bull, D.; Krekeler, A.; Alfeld, M.; Dik, J.; Janssens, K. |
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Title |
An intrusive portrait by Goya |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
The Burlington magazine |
Abbreviated Journal |
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Volume |
153 |
Issue |
1303 |
Pages |
668-673 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Place of Publication |
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Wos |
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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 |
0007-6287; 2044-9925 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; 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 |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:93602 |
Serial |
5672 |
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| Permanent link to this record |
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Author |
van der Snickt, G.; Miliani, C.; Janssens, K.; Brunetti, B.G.; Romani, A.; Rosi, F.; Walter, P.; Castaing, J.; de Nolf, W.; Klaassen, L.; Labarque, I.; Wittermann, R. |
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Title |
Material analyses of “Christ with singing and music-making Angels”, a late 15th-C panel painting attributed to Hans Memling and assistants : part 1 : non-invasive in situ investigations |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
26 |
Issue |
11 |
Pages |
2216-2229 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In cultural heritage science, compositional data is traditionally obtained from works of art through the analysis of samples by means of various bench-top instruments (scanning electron microscope, Raman spectrometer, etc.). Alternatively, the object can be transported to a laboratory where it may be examined, usually by spectroscopic methods working in reflection mode. However, this paper describes how a complementary set of mobile and portable instruments was deployed in situ to gain a comprehensive view on the materials and related ageing compounds of an (almost) unmovable 15th-C polyptych, prior to and in preparation of the extraction of a limited number of samples. In line with the methodological approach discussed, PXRF was first employed as an efficient screening tool. The ensuing elemental data was supplemented by more specific information on both organic as inorganic materials supplied by reflection near- and mid-FTIR spectroscopy and fluorimetry. In completion, a limited number of diffraction patterns were collected with a mobile XRD instrument in order to identify the constituent crystalline phases in pigments, grounding materials and degradation products. In this way, it could be demonstrated how a rich array of colours was obtained by means of a limited palette of pigments: lead white, lead tin yellow, azurite, natural ultramarine, bone black, vermillion, madder lake, and a green copper-organo complex were detected and situated on the panels. Remarkably, next to chalk also gypsum was found in the ground layer(s) of this Western European easel painting. The relatively large surface of the background was covered with gold leaf; the analyses seem to point towards the labour-intensive water gilding technique. The versatility of this combination of analytical techniques was further illustrated by the accurate characterisation of degradation products affecting the readability and conservation of the painting: the overall presence of a calcium oxalate-based film of variable thickness was established. Nevertheless, further analysis of cross-sectioned samples was considered desirable in order to study the stratigraphy, to gain direct access to altered and sub-imposed layers and to allow highly detailed analysis of micrometric degradation products by state-of-the art techniques (i.e. synchrotron radiation). |
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Corporate Author |
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Place of Publication |
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Editor |
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Wos |
000296021800010 |
Publication Date |
2011-09-23 |
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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 |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.379 |
Times cited |
32 |
Open Access |
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Notes |
; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0103.04, G.0689.06 and G.0704.08. The staff of the Royal Museum of Fine Arts Antwerp is acknowledged for this pleasant cooperation and the authorisation for the publication of the images in this article. Therefore, a word of gratitude to Paul Huvenne, Yolande Deckers, Stef Antonissen and Gwen Borms. In addition, the authors would like to thank the MOLAB's team operators Chiari Anselmi and Federica Presciutti. MOLAB analyses have been carried out through the support of the EU within the 6th Framework Programme (Contract Eu-ARTECH, RII3-CT-2004-506171). ; |
Approved |
Most recent IF: 3.379; 2011 IF: 3.220 |
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Call Number |
UA @ admin @ c:irua:93680 |
Serial |
5705 |
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| Permanent link to this record |
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Author |
Rouchon, V.; Pellizzi, E.; Duranton, M.; Vanmeert, F.; Janssens, K. |
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Title |
Combining XANES, ICP-AES, and SEM/EDS for the study of phytate chelating treatments used on iron gall ink damaged manuscripts |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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| |
Volume |
26 |
Issue |
12 |
Pages |
2434-2441 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Many historical documents written with iron gall inks are endangered by the corrosive effects of these inks. In this work, a combination of complementary analytical methods was used for the first time in order to study the phytate process which is used in conservation studios to stabilize damaged manuscripts. This process consists of an antioxidant treatment performed by means of a calcium phytate (CP) solution, followed by a deacidification treatment performed with a calcium carbonate (CC) solution. The antioxidant treatment capitalizes on the properties of myo-inositol hexaphosphoric acid (phytic acid) that inhibits iron through chelation. In order to use relatively low acidic solutions, the pH of the CP solution is increased up to values between 5 and 6, which is in the range of the CP precipitation threshold. This study was performed on laboratory samples made of paper impregnated with iron gall ink and artificially aged in climatic chambers. It aims to investigate how the CP precipitate impacts the efficiency of the treatment. Side effects, such as elemental losses and deposits, were measured by means of several analytical techniques (FeK Edge XANES, SEM/EDS, and ICP-AES). These measurements were crosschecked with a ready to use colour spot test made of bathophenanthroline impregnated paper. It appeared that the CP treatment should necessarily be followed by the deacidification treatment in order to achieve long term stability. The precipitation of CP in the treating solution does finally not impact the efficiency of the treatment despite the fact that it should theoretically lower the availability of phytate to chelate iron. A scenario is proposed to explain this point. |
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Wos |
000297030400008 |
Publication Date |
2011-10-06 |
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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 |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.379 |
Times cited |
10 |
Open Access |
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Notes |
; This research was funded by SOLEIL (proposals 20060396 and 20080761) and was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. We are thankful to the paper conservator students of the Institut National du Patrimoine who were involved in some of the sample preparations, and to Dr Dominique Thiaudiere and Dr Solenn Reguer for their assistance and help during the experiments performed at SOLEIL beamline “DIFFABS”. ; |
Approved |
Most recent IF: 3.379; 2011 IF: 3.220 |
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| |
Call Number |
UA @ admin @ c:irua:93845 |
Serial |
5527 |
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| Permanent link to this record |
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Author |
Cagno, S.; Nuyts, G.; Bugani, S.; De Vis, K.; Schalm, O.; Caen, J.; Helfen, L.; Cotte, M.; Reischig, P.; Janssens, K. |
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Title |
Evaluation of manganese-bodies removal in historical stained glass windows via SR-\mu-XANES/XRF and SR-\mu-CT |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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Volume |
26 |
Issue |
12 |
Pages |
2442-2451 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The speed and effectiveness of a conservation treatment used for stained glass windows have been investigated. Dark-coloured Mn-rich stains can be found in the alteration layer of ancient glass artefacts and cause the surface to turn brown/black: this phenomenon is known as Mn-browning or Mn-staining. While in glass manganese is present in the +II or +III oxidation states, in the Mn-rich bodies, manganese is in a higher oxidation state (+IV). In restoration practice, mildly reducing solutions are employed to eliminate the dark colour and restore the clear appearance of the glass. In this paper the effectiveness and side effects of the use of hydroxylamine hydrochloride for this purpose are assessed. Archaeological fragments of stained glass windows, dated to the 14th century and originating from Sidney Sussex College, Cambridge (UK), were examined by means of synchrotron radiation (SR) based microscopic X-ray Absorption Near-Edge Spectroscopy (μ-XANES) and microscopic X-Ray Fluorescence (μ-XRF) and with high resolution computed absorption tomography (μ-CT) before, during and after the treatment. The monitoring of the glass fragments during the treatment allows us to better understand the manner in which the process unfolds and its kinetics. The results obtained reveal that the hydroxylamine hydrochloride treatment is effective, but also that it has a number of unwanted side effects. These findings are useful for optimizing the time and other modalities of the Mn-reducing treatment as well as minimizing its unwanted results. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000297030400009 |
Publication Date |
2011-10-11 |
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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 |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.379 |
Times cited |
17 |
Open Access |
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Notes |
; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “XANES meets ELNES” (Research Fund University of Antwerp, Belgium) and from FWO (Brussels, Belgium) projects no. G.0704.08 and G.01769.09. Special thanks to Ms Leonie Seliger, head of the stained-glass conservation studio (The Cathedral Studios-The Chapter of Canterbury Cathedral) for the supply of the archaeological samples. The authors gratefully acknowledge ESRF for granting beamtime (proposal EC-602). ; |
Approved |
Most recent IF: 3.379; 2011 IF: 3.220 |
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Call Number |
UA @ admin @ c:irua:93848 |
Serial |
5613 |
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Author |
Nikolova, I.; Janssen, S.; Vos, P.; Vrancken, K.; Mishra, V.; Berghmans, P. |
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Title |
Dispersion modelling of traffic induced ultrafine particles in a street canyon in Antwerp, Belgium and comparison with observations |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
412 |
Issue |
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Pages |
336-343 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The aim of this study is to investigate the dispersion of ultrafine particles and its spatial distribution in a street canyon and its neighbourhood with the 3D CFD model ENVI-met®. The performance of the model at street scale is evaluated and the importance of the boundary conditions like wind field and traffic emissions on the UFP concentration is demonstrated. To support and validate the modelled results, a short-term measurement campaign was conducted in a street canyon in Antwerp, Belgium. The UFP concentration was measured simultaneously with P-TRACK (TSI Model 8525) at four different locations in the canyon. The modelled UFP concentrations compare well with the measured data (correlation coefficient R from 0.44 to 0.93) within the standard deviation of the measurements. Despite the moderate traffic flow in the street canyon, UFP concentrations in the canyon are in general double of the background concentrations, indicating the high local contribution for this particle number concentration. Some of the observed concentration profiles are not resembled by the model simulations. For these specific anomalies, further analysis is performed and plausible explanations are put forward. The role of wind direction and traffic emissions is investigated. The performance evaluation of ENVI-met® shows that in general the model qualitatively and quantitatively describes the dispersion of UFP in the street canyon study. |
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Wos |
000298534300038 |
Publication Date |
2011-10-28 |
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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 |
0048-9697; 1879-1026 |
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:94377 |
Serial |
7815 |
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Author |
Cools, J.; Broekx, S.; Vandenberghe, V.; Seuntjens, P.; e.a. |
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Title |
Coupling a hydrological water quality model and an economic optimization model to set up a cost-effective emission reduction scenario for nitrogen |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Environmental modelling and software |
Abbreviated Journal |
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Volume |
26 |
Issue |
1 |
Pages |
44-51 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
A modelling approach is presented that determines the most cost-effective set of reduction measures to reach an in-stream concentration target. The framework is based on the coupling of two models: the hydrological water quality model SWAT and an economic optimization model (Environmental Costing Model, ECM). SWAT is used to determine the relationship between the modelled in-stream concentration at the river basin outlet and the associated emission reduction. The ECM is used to set up marginal abatement cost curves for nutrients and oxygen demanding substances. Results for nitrogen are presented for the Grote Nete river basin in Belgium for the year 2006. Results show that the good status for total nitrogen can be reached in the study area. The most cost-effective measures are more productive dairy cattle, implementing basic measures as defined in the WFD, winter cover crops, improved efficiency of WWTP, enhanced fodder efficiency for pigs, further treatment of industrial waste water and tuned fertilization. (C) 2010 Elsevier Ltd. All rights reserved. |
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Wos |
000283891600007 |
Publication Date |
2010-05-18 |
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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 |
1364-8152 |
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:95529 |
Serial |
7740 |
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Author |
Buytaert, V.; Muys, B.; Devriendt, N.; Pelkmans, L.; Kretzschmar, J.G.; Samson, R. |
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Title |
Towards integrated sustainability assessment for energetic use of biomass : a state of the art evaluation of assessment tools |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Renewable and sustainable energy reviews |
Abbreviated Journal |
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Volume |
15 |
Issue |
8 |
Pages |
3918-3933 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Biomass is expected to play an increasingly significant role in the greening of energy supply. Nevertheless, concerns are rising about the sustainability of large-scale energy crop production. Impacts must be assessed carefully before deciding whether and how this industry should be developed, and what technologies, policies and investment strategies should be pursued. There is need for a comprehensive and reliable sustainability assessment tool to evaluate the environmental, social and economic performance of biomass energy production. This paper paves the way for such a tool by analysing and comparing the performance and applicability of a selection of existing tools that are potentially useful for sustainability assessment of bioenergy systems. The selected tools are: Criteria And Indicators (C&I), Life Cycle Assessment (LCA), Environmental Impact Assessment (EIA), Cost Benefit Analysis (CBA), Exergy Analysis (EA) and System Perturbation Analysis (SPA). To evaluate the tools, a framework was constructed that consists of four evaluation levels: sustainability issues, tool attributes, model structure, area of application. The tools were then evaluated using literature data and with the help of a Delphi panel of experts. Finally, a statistical analysis was performed on the resulting data matrix to detect significant differences between tools. It becomes clear that none of the selected tools is able to perform a comprehensive sustainability assessment of bioenergy systems. Every tool has its particular advantages and disadvantages, which means that trade-offs are inevitable and a balance must be found between scientific accuracy and pragmatic decision making. A good definition of the assessment objective is therefore crucial. It seems an interesting option to create a toolbox that combines procedural parts of C&I and EIA, supplemented with calculation algorithms of LCA and CBA for respectively environmental and economic sustainability indicators. Nevertheless, this would require a more comprehensive interdisciplinary approach to align the different tool characteristics and focuses. |
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Wos |
000298764100043 |
Publication Date |
2011-08-06 |
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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 |
1364-0321; 1879-0690 |
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:96444 |
Serial |
8682 |
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Author |
Van Grieken, R.; Darchuk, L.; Kontozova, V.; Potgieter-Vermaak, S.; van Meel, K.; Stefaniak, E.; Worobiec, A. |
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Title |
Integration of analysis techniques of different scales using X ray induced and electron induced X ray spectrometry for applications in preventive conservation and environmental monitoring |
Type |
H2 Book chapter |
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Year |
2011 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
53-56
T2 - Integration of nuclear spectrometry met |
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Keywords |
H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
In the past years, and also within the framework of this CRP, we have used a combination of several nuclear and non-nuclear techniques in fundamental research and especially in various applications. Most work has been done with energy-dispersive X ray fluorescence in combination with electron probe X ray microanalysis, but several other more common analysis techniques have been used as well. The applications have included mostly preventive conservation (e.g. characterisation of damaging atmospheric particles in many museums) and environmental monitoring (e.g. for atmospheric particles in relation to their health effects in outdoor and especially indoor environments). Fundamental aspects have been in the optimising of interfaced electron microprobe and Raman microprobe analysis and the evaluation of the potential of such an instrument for atmospheric aerosols; quite a few unexpected and unpredicted problems have appeared in the latter study. |
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Abbreviated Series Title |
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Series Issue |
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ISSN |
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ISBN |
978-92-0-121310-5 |
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:97169 |
Serial |
8110 |
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Author |
Godoi, R.H.M.; Bittencourt, A.V.L.; Hirata, P.Y.; Jafelicci Junior, M.; dos Reis Neto, J.M.; de Souza Sarkis, J.E.; Zara, L.F.; Van Grieken, R. |
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Title |
Caracterização dos sistemas iônicos e particulado no reservatório |
Type |
H3 Book chapter |
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Year |
2011 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
170-188
T2 - Eutrofização em reservatórios : gestã |
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Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Edition |
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ISSN |
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ISBN |
978-85-7335-286-3 |
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:97170 |
Serial |
7577 |
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Author |
Gielis, J.; Tavkelidze, I.; Ricci, P.E. |
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Title |
About “bulky” links, generated by generalized Möbius-Listing bodies |
Type |
H3 Book chapter |
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Year |
2011 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
115-128
T2 - Proceedings of the International Conf |
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Keywords |
H3 Book chapter; Sustainable Energy, Air and Water Technology (DuEL) |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
978-9941-0-3727-6 |
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:97753 |
Serial |
7403 |
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Author |
Jain, R.; Rather, J.A.; Dwivedi, A. |
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Title |
Voltammetric behaviour of nitroxazepine in solubilized system and biological fluids |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
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Volume |
31 |
Issue |
2 |
Pages |
230-237 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
This study reports the development and validation of sensitive and selective assay method for the determination of the antidepressant drug in solubilized system and biological fluids. Solubilized system of different surfactants including cationic, anionic and non-ionic influences the electrochemical response of drug. Addition of cationic surfactant cetrimide to the solution containing drug enhances the peak current signal while anionic and non-ionic showed an opposite effect. The current signal due to reduction process was function of concentration of nitroxazepine, pH, type of surfactant and preconcentration time at the electrode surface. The reduction process is irreversible and adsorption controlled at HMDE. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for niroxazepine hydrochloride determination. The proposed SWCAdSV and DPCAdSV methods are linear over the concentration range 2.0 × 10-7 5.0 × 10-9 mol/L and 6.1 × 10-7 1.0 × 10-8 mol/L with detection limit of 1.62 × 10-10 mo/L and 1.4 × 10-9 mo/L respectively. The method shows good sensitivity, selectivity, accuracy and precision that makes it very suitable for determination of nitroxazepine in pharmaceutical formulation and biological fluids. |
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Place of Publication |
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Wos |
000286707900024 |
Publication Date |
2010-09-08 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0928-4931 |
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:98685 |
Serial |
8743 |
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| Permanent link to this record |
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Author |
Jain, R.; Vikas; Rather, J.A. |
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| |
Title |
Voltammetric behaviour of drotaverine hydrochloride in surfactant media and its enhancement determination in Tween-20 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Colloids and surfaces: B : biointerfaces |
Abbreviated Journal |
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| |
Volume |
82 |
Issue |
2 |
Pages |
333-339 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Simple, sensitive and rapid adsorptive voltammetric behaviour of drotaverine hydrochloride onto the HMDE has been explored and validated in surfactant media by using cyclic, differential pulse and square-wave voltammetry. Addition of Tween-20 to the drotaverine hydrochloride containing electrolyte enhances the reduction current signal. The voltammograms of the drug with Tween-20 in phosphate buffers of pH 2.511.0 exhibit a single well defined reduction peak which may be due to the reduction of Cdouble bond; length as m-dashC group. The cyclic voltammetric studies indicated the reduction of drotaverine hydrochloride at the electrode surface through two electron irreversible step and diffusion-controlled. The peak current showed a linear dependence with the drug concentration over the range 0.87.2 μg mL−1. The calculated LOD and LOQ are 1.8 and 6.0 ng mL−1 by SWCAdSV and 8.1 and 27.2 ng mL−1 by DPCAdSV, respectively. The procedure was applied to the assay of the drug in tablet form with mean percentage recoveries of 100.2% with SWCAdSV and 99.7% with DPCAdSV. The validity of the proposed methods was further assessed by applying a standard addition technique. |
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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 |
000285858200010 |
Publication Date |
2010-09-16 |
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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 |
0927-7765 |
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:98686 |
Serial |
8742 |
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| Permanent link to this record |
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Author |
Jain, R.; Rather, J.A. |
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| |
Title |
Voltammetric determination of antibacterial drug gemifloxacin in solubilized systems at multi-walled carbon nanotubes modified glassy carbon electrode |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Colloids and surfaces: B : biointerfaces |
Abbreviated Journal |
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| |
Volume |
83 |
Issue |
2 |
Pages |
340-346 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
A sensitive electroanalytical method for determination of gemifloxacin in pharmaceutical formulation has been investigated on the basis of the enhanced electrochemical response at multi-walled carbon nanotubes modified glassy carbon electrode in the presence of CTAB. Solubilized system of different surfactants including SDS, Tween-20 and CTAB were taken for the study of electrochemical behaviour of gemifloxacin at modified electrode. The reduction peak current increases in the presence of CTAB while other surfactants show opposite effect. The modified electrode exhibits catalytic activity, high sensitivity, stability and is applicable over wide range of concentration for the determination of gemifloxacin. The mechanism of electrochemical reduction of gemifloxacin has been proposed on the basis of CV, SWV, DPV and coulometeric techniques. The proposed squarewave voltammetric method shows linearity over the concentration range 2.4715.5 μg/mL. The achieved limits of detection (LOD) and quantification (LOQ) are 0.90 ng/mL and 3.0 ng/mL 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 |
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Wos |
000287268000020 |
Publication Date |
2010-12-08 |
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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 |
0927-7765 |
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 |
|
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:98687 |
Serial |
8744 |
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| Permanent link to this record |
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Author |
Jain, R.; Rather, J.A. |
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Title |
Stripping voltammetry of tinidazole in solubilized system and biological fluids |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Colloids and surfaces: A: physicochemical and engineering aspects |
Abbreviated Journal |
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| |
Volume |
378 |
Issue |
|
Pages |
27-33 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The adsorptive voltammetric behaviour of tinidazole onto the HMDE was investigated and validated in solubilized system and biological fluids by CV, SWCAdSV and DPCAdSV. Addition of CTAB to the solution containing drug enhanced the peak current while anionic and non-ionic surfactants showed an opposite effect. The electrode process is irreversible and adsorption controlled. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for tinidazole determination. Under optimized conditions; the adsorptive stripping peak current is linear over the concentration range 7.0 × 10−9 to 6.2 × 10−7 mol/L with detection limit of 4.5 × 10−10 mol/L. The precision of the proposed method in terms of RSD is 1.2% and mean recovery of 100.01%. The applicability of proposed method is further extended to in vitro determination of the drug in biological fluids. |
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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 |
000289544600004 |
Publication Date |
2011-02-02 |
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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 |
|
Series Issue |
|
Edition |
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| |
ISSN |
0927-7757 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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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:98688 |
Serial |
8584 |
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| Permanent link to this record |
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Author |
Vodolazov, D.Y.; Peeters, F.M. |
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Title |
Origin of the hysteresis of the current voltage characteristics of superconducting microbridges near the critical temperature |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
84 |
Issue |
9 |
Pages |
094511 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The current voltage (IV) characteristics of short [with length L less than or similar to xi(T)] and long [L >> xi(T)] microbridges are theoretically investigated near the critical temperature of the superconductor. Calculations are made in the nonlocal (local) limit when the inelastic relaxation length due to electron-phonon interactions L(in) = (D tau(in))(1/2) is larger (smaller) than the temperature-dependent coherence length xi(T) (D is the diffusion coefficient, tau(in) is the inelastic relaxation time of the quasiparticle distribution function). We find that, in both limits, the origin of the hysteresis in the IV characteristics is mainly connected with the large time scale over which the magnitude of the order parameter varies in comparison with the time-scale variation of the superconducting phase difference across the microbridge in the resistive state. In the nonlocal limit, the time-averaged heating and cooling of quasiparticles are found in different areas of the microbridge, which are driven, respectively, by oscillations of the order parameter and the electric field. We show that, by introducing an additional term in the time-dependent Ginzburg-Landau equation, it is possible to take into account the cooling effect in the local limit too. |
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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 |
000294920900009 |
Publication Date |
2011-09-14 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
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| |
Notes |
; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education under the Federal Target Programme“Scientific and educational personnel of innovative Russia in 2009-2013,” the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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| |
Call Number |
UA @ lucian @ c:irua:105573 |
Serial |
2527 |
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| Permanent link to this record |
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Author |
Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
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Title |
Electronic properties of hydrogenated silicene and germanene |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
98 |
Issue |
22 |
Pages |
223107 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G(0)W(0) many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3595682] |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000291405700057 |
Publication Date |
2011-06-03 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
63 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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| |
Call Number |
UA @ lucian @ c:irua:105586 |
Serial |
1003 |
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| Permanent link to this record |
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Author |
Esquivel, M.R.; Zelaya, E. |
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Title |
Synthesis and characterisation of lanthanide-based dioxide |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Advances in applied ceramics |
Abbreviated Journal |
Adv Appl Ceram |
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Volume |
110 |
Issue |
4 |
Pages |
219-224 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In the present work, the microstructure and structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3) and La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2) is obtained from transmission electron microscopy and X-ray diffraction measurements. Space group P6(3)/m is assigned to the structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3). Lanthanides are assigned to Wyckoff positions 2c. Cell parameters are a=6.375(5) angstrom and c=3.753(5) angstrom. The thermal decomposition of this compound was studied by differential scanning calorimetry. The process is exothermal with an enthalpy change Delta H degrees value of -254 +/- 10 kJ mol(-1). The decomposition kinetics is complex and two global processes with E(a) values of 98 +/- 4 and 61 +/- 2 kJ mol 21 were observed. The product is a lanthanide dioxide. Space group Fm3m is assigned to the La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2). Lanthanides are distributed in Wyckoff positions 4a. The cell parameter is a=5.479(5) angstrom. Nanopores in the oxide surface are obtained using this method and characterised by STEM measurements. |
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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 |
Leeds |
Editor |
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Language |
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Wos |
000291206700006 |
Publication Date |
2011-05-30 |
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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 |
1743-6753;1743-6761; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.325 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.325; 2011 IF: 0.871 |
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Call Number |
UA @ lucian @ c:irua:105588 |
Serial |
3410 |
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| Permanent link to this record |
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Author |
Sofo, J.O.; Suarez, A.M.; Usaj, G.; Cornaglia, P.S.; Hernández-Nieves, A.D.; Balseiro, C.A. |
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Title |
Electrical control of the chemical bonding of fluorine on graphene |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
83 |
Issue |
8 |
Pages |
081411 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change. |
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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 |
000287484800005 |
Publication Date |
2011-02-18 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
65 |
Open Access |
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Notes |
; J.O.S. and A. S. acknowledge support from the Donors of the American Chemical Society Petroleum Research Fund and use of facilities at the Penn State Materials Simulation Center. G. U., P. S. C., A. D. H., and C. A. B. acknowledge financial support from PICTs 06-483 and 2008-2236 from ANPCyT and PIP 11220080101821 from CONICET, Argentina. A. D. H. acknowledges support from the Flemish Science Foundation (FWO). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
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Call Number |
UA @ lucian @ c:irua:105600 |
Serial |
892 |
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| Permanent link to this record |
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Author |
Peelaers, H.; Hernández-Nieves, A.D.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Vibrational properties of graphene fluoride and graphane |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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| |
Volume |
98 |
Issue |
5 |
Pages |
051914 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The vibrational properties of graphene fluoride and graphane are studied using ab initio calculations. We find that both sp(3) bonded derivatives of graphene have different phonon dispersion relations and phonon densities of states as expected from the different masses associated with the attached atoms of fluorine and hydrogen, respectively. These differences manifest themselves in the predicted temperature behavior of the constant-volume specific heat of both compounds. (C) 2011 American Institute of Physics. [doi:10.1063/1.3551712] |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000286988400027 |
Publication Date |
2011-02-02 |
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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 |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
66 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Contract No. FW /08/01). A.D.H.-N. is also supported by ANPCyT (under Grant No. PICT2008-2236) ; |
Approved |
Most recent IF: 3.411; 2011 IF: 3.844 |
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Call Number |
UA @ lucian @ c:irua:105604 |
Serial |
3844 |
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Author |
Hamelet, S.; Casas-Cabanas, M.; Dupont, L.; Davoisne, C.; Tarascon, J.M.; Masquelier, C. |
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Title |
Existence of superstructures due to large amounts of Fe vacancies in the LiFePO4-type framework |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
23 |
Issue |
1 |
Pages |
32-38 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
LiFePO4 has been under intense scrutiny over the past decade because it stands as an attractive positive electrode material for the next generation of Li-ion batteries to power electric vehicles and hybrid electric vehicles, hence the importance of its thermal behavior. The reactivity of LiFePO4 with air at moderate temperatures is shown to be dependent on its particle size. For nanosized materials, a progressive displacement of Fe from the core structure leading to a composite made of nanosize Fe2O3 and highly defective, oxidized LixFeyPO4 compositions, among which the “ideal” formula LiFe2/3PO4. Herein we report, from both temperature-controlled X-ray diffraction and electronic diffraction microscopy, that these off-stoichiometry olivine-type compounds show a defect ordering resulting in the formation of a superstructure. Such a finding shows striking similarities with the temperature-driven oxidation of fayalite Fe2SiO4 (another olivine) to structurally defective laihunite, reported in the literature three decades ago. |
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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 |
Washington, D.C. |
Editor |
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Language |
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Wos |
000285726900007 |
Publication Date |
2010-12-14 |
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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 |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
9.466 |
Times cited |
30 |
Open Access |
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Notes |
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Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
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Call Number |
UA @ lucian @ c:irua:105605 |
Serial |
1130 |
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| Permanent link to this record |
