Records |
Author |
Injuk, J.; Van Grieken, R.E. |
Title |
Sample preparation for XRF |
Type |
H3 Book chapter |
Year |
1992 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
657-692
T2 - Handbook of X-ray spectroscopy / Grie |
Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
Call Number |
UA @ admin @ c:irua:2857 |
Serial |
8496 |
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Author |
Huang, W.; Su, X.; Ratkowsky, D.A.; Niklas, K.J.; Gielis, J.; Shi, P. |
Title |
The scaling relationships of leaf biomass vs. leaf surface area of 12 bamboo species |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Global ecology and conservation |
Abbreviated Journal |
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Volume |
20 |
Issue |
|
Pages |
e00793 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
There is convincing evidence for a scaling relationship between leaf dry weight (DW) and leaf surface area (A) for broad-leaved plants, and most estimates of the scaling exponent of DW vs. A are greater than unity. However, the scaling relationship of leaf fresh weight (FW) vs. A has been largely neglected. In the present study, we examined whether there is a statistically strong scaling relationship between FW and A and compared the goodness of fit to that of DW vs. A. Between 250 and 520 leaves from each of 12 bamboo species within 2 genera (Phyllostachys and Pleioblastus) were investigated. The reduced major axis regression protocols were used to determine scaling relationships. The fit for the linearized scaling relationship of FW vs. A was compared with that of DW vs. A using the coefficient of determination (i.e., r2). A stronger scaling relationship between FW and A than that between DW and A was observed for each of the 12 bamboo species investigated. Among the 12 species examined, five had significantly smaller scaling exponents of FW vs. A compared to those of DW vs. A; only one species had a scaling exponent of FW vs. A greater than that of DW vs. A. No significant difference between the two scaling exponents was observed for the remaining 6 species. Researchers conducting future studies might be well advised to consider the influence of leaf fresh weight when exploring the scaling relationships of foliar biomass allocation patterns. |
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Wos |
000498226800095 |
Publication Date |
2019-09-19 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2351-9894; 2351-9894 |
ISBN |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:162954 |
Serial |
8497 |
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Author |
Van Winckel, T.; Vlaeminck, S.E.; Al-Omari, A.; Bachmann, B.; Sturm, B.; Wett, B.; Takács, I.; Bott, C.; Murthy, S.N.; De Clippeleir, H. |
Title |
Screen versus cyclone for improved capacity and robustness for sidestream and mainstream deammonification |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Environmental Science: Water Research & Technology |
Abbreviated Journal |
|
Volume |
5 |
Issue |
10 |
Pages |
1769-1781 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Deammonification systems are being implemented as cost- and resource-efficient nitrogen removal processes. However, their complexity is a major hurdle towards successful transposition from side- to mainstream application. Merely out-selecting nitrite oxidizing bacteria (NOB) or retaining anammox bacteria (AnAOB) does not guarantee efficient mainstream deammonification. This paper presents for the first time the interactions and synergies between kinetic selection, through management of residual substrates, and physical selection, through separation of solid retention times (SRTs). This allowed the formulation of tangible operational recommendations for successful deammonification. Activity measurements were used to establish retention efficiencies (η) for AnAOB for full-scale cyclones and rotating drum screens installed at a sidestream and mainstream deammonification reactor (Strass, Austria). In the sidestream reactor, using a screen (η = 91%) instead of a cyclone (η = 88%) may increase the capacity by up to 29%. For the mainstream reactor, higher AnAOB retention efficiencies achieved by the screen (η = 72%) compared to the cyclone (η = 42%) induced a prospective increase in capacity by 80–90%. In addition, the switch in combination with bioaugmentation from the sidestream made the process less dependent on nitrite availability, thus aiding in the outselection of NOB. This allowed for a more flexible (intermittent) aeration strategy and a reduced need for tight SRT control for NOB washout. A sensitivity analysis explored expected trends to provide possible operational windows for further calibration. In essence, characterization of the physical selectors at full scale allowed a deeper understanding of operational windows of the process and quantification of capacity, ultimately leading to a more space and energy conservation process. |
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Wos |
000487968200013 |
Publication Date |
2019-08-20 |
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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 |
2053-1400 |
ISBN |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:162540 |
Serial |
8498 |
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Author |
Ravindra, K.; Bencs, L.; Wauters, E.; de Hoog, J.; Deutsch, F.; Roekens, E.; Bleux, N.; Berghmans, P.; Van Grieken, R. |
Title |
Seasonal and site-specific variation in vapour and aerosol phase PAHs over Flanders (Belgium) and their relation with anthropogenic activities |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
40 |
Issue |
4 |
Pages |
771-785 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Wos |
000235764300016 |
Publication Date |
2005-11-29 |
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Edition |
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ISSN |
1352-2310 |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:55412 |
Serial |
8499 |
Permanent link to this record |
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Author |
Worobiec, A.; Samek, L.; Karaszkiewicz, P.; Kontozova-Deutsch, V.; Stefaniak, E.A.; van Meel, K.; Krata, A.; Bencs, L.; Van Grieken, R. |
Title |
A seasonal study of atmospheric conditions influenced by the intensive tourist flow in the Royal Museum of Wawel Castle in Cracow, Poland |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Microchemical journal |
Abbreviated Journal |
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Volume |
90 |
Issue |
2 |
Pages |
99-106 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
Abstract |
Increasingmass tourismcan generate importantmicroclimatic perturbations and also elevate indoor pollution by the transport of fine particulatematter. The purpose of this researchwas to study the indoor air conditions in the RoyalMuseum ofWawel Castle in Cracow, Poland, displaying amongst other valuable works of art also a unique collection of Flemish tapestries. The investigation involved in the determination of transport and deposition of particulate matter brought in by visitors. The microclimate inside the exhibition rooms was also monitored. Samples of suspended particulateswere collected inside and outside themuseuminwinterand summer2006.On days with intensive tourist visits the concentration of total suspended particulates was significantly higher (i.e., 130 µg/m3 inwinter and 49 µg/m3 in summer) than on those days without tourists (i.e., 73 µg/m3 and 22 µg/m3 in winter and summer, respectively). The concentrations of all investigated elementswere also considerably higher during the tourist flow. This was especially valid for soil dust associated elements (Si, K, Ca, Al, and Ti), with considerably higher levels in summer than winter. This could be linked with much more frequent tourist activity in the summer period. Also, the concentration of Clwasmuch higher inwinter than summer, due to the use of deicing salts on the roads and pavements. |
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Wos |
000261084200003 |
Publication Date |
2008-04-27 |
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Edition |
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ISSN |
0026-265x; 0026-265x |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:70988 |
Serial |
8500 |
Permanent link to this record |
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Author |
Alejo, D.; Morales, M.C.; de la Torre, J.B.; Grau, R.; Bencs, L.; Van Grieken, R.; van Espen, P.; Sosa, D.; Nuñez, V. |
Title |
Seasonal trends of atmospheric nitrogen dioxide and sulfur dioxide over North Santa Clara, Cuba |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Environmental monitoring and assessment |
Abbreviated Journal |
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Volume |
185 |
Issue |
7 |
Pages |
6023-6033 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Atmospheric nitrogen dioxide (NO2) and sulfur dioxide (SO2) levels were monitored simultaneously by means of Radiello passive samplers at six sites of Santa Clara city, Cuba, in the cold and the warm seasons in 2010. The dissolved ionic forms of NO2 and SO2 as nitrate and sulfite plus sulfate, respectively, were determined by means of ion chromatography. Analysis of NO2 as nitrite was also performed by UVVis spectrophotometry. For NO2, significant t tests show good agreement between the results of IC and UVVis methods. The NO2 and SO2 concentrations peaked in the cold season, while their minimum levels were experienced in the warm season. The pollutant levels do not exceed the maximum allowable limit of the Cuban Standard 39:1999, i.e., 40 μg/m3 and 50 μg/m3 for NO2 and SO2, respectively. The lowest pollutant concentrations obtained in the warm season can be attributed to an increase in their removal via precipitation (scavenging) while to the decreased traffic density and industrial emission during the summer holidays (e.g., July and August). |
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Wos |
000319753600053 |
Publication Date |
2012-12-03 |
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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 |
1420-2026; 1573-2967 |
ISBN |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:107293 |
Serial |
8501 |
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Author |
Saxena, D.P.; Joos, P.; Van Grieken, R.; Subramanian, V. |
Title |
Sedimentation rate of the floodplain sediments of the Yamuna river basin (tributary of the river Ganges, India) by using <tex>210Pb</tex> and <tex>137Cs</tex> techniques |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of radioanalytical and nuclear chemistry |
Abbreviated Journal |
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Volume |
251 |
Issue |
3 |
Pages |
399-408 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Wos |
000174851200010 |
Publication Date |
2002-12-28 |
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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 |
0236-5731; 1588-2780 |
ISBN |
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UA library record; WoS full record; WoS citing articles |
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no |
Call Number |
UA @ admin @ c:irua:36664 |
Serial |
8502 |
Permanent link to this record |
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Author |
Kim, E.; Horckmans, L.; Spooren, J.; Vrancken, K.C.; Quaghebeur, M.; Broos, K. |
Title |
Selective leaching of Pb, Cu, Ni and Zn from secondary lead smelting residues |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
Volume |
169 |
Issue |
|
Pages |
372-381 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Several HNO3-based leaching approaches were tested and optimized to selectively recover Pb and other minor metals (Cu, Ni, Zn) from secondary lead smelter residues (i.e., slag and matte). Firstly, the leaching behaviors of Pb and the matrix element Fe were studied at atmospheric pressure in the temperature range 25-70 degrees C. These elements were present in both materials studied as sulfide and oxide phases. For the sulfur-rich matte residue, the Pb leaching increased from 63% to 69% upon increasing the HNO3 concentration from 0.2 M to 0.5 M. However, by adding Fe(III) as an oxidation agent, Pb leaching from the matte amounted to 90% at 25 degrees C. At a higher temperature, Pb leaching was reduced due to PbSO4 precipitation. In this process, Cu, Zn and Ni leaching was insignificant. For the slag residue, HNO3 could not leach Pb (0.03% Pb leached), while Fe leaching was 19.8% due to a galvanic effect. However, Pb leaching of the slag was 82% in the presence of additional Fe(III). Secondly, to enhance leaching of the other base metals (Cu, Zn and Ni) from the matte, roasting followed by water leaching and (microwave assisted or autoclave) pressurized leaching in 0.5 M HNO3 were applied. During roasting, the FeS phase converted to Fe2O3 above 500 degrees C, and PbS and Pb phases were transformed into insoluble PbSO4 above 400 degrees C. Cu, Ni and Zn leaching was drastically enhanced by a roasting step at 600 degrees C followed by leaching with 0.5 M HNO3 at 50 degrees C, or by pressurized HNO3 leaching above 130 degrees C, whereby Pb leaching almost ceased due to PbSO4 precipitation. During the roasting above 600 degrees C, or microwave assisted extraction (MAE) at 160 degrees C for 15 min, FeS was completely converted to iron oxides that can be used as raw material for pig iron production. Based on the results, the methods investigated can be combined as process steps of two possible routes for the selective recovery of valuable metals and the production of a clean source of Fe oxides from the secondary lead smelting residues studied. (C) 2017 Elsevier B.V. All rights reserved. |
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Wos |
000401878200045 |
Publication Date |
2017-03-02 |
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 |
0304-386x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:144299 |
Serial |
8503 |
Permanent link to this record |
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Author |
Kim, E.; Spooren, J.; Broos, K.; Horckmans, L.; Quaghebeur, M.; Vrancken, K.C. |
Title |
Selective recovery of Cr from stainless steel slag by alkaline roasting followed by water leaching |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Hydrometallurgy |
Abbreviated Journal |
|
Volume |
158 |
Issue |
|
Pages |
139-148 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Selective chromium (Cr) leaching from stainless steel slag (SS slag) by alkali roasting followed by water leaching was investigated. The efficiency of the alkali roasting process for Cr leaching was increased by optimizing the mass ratio of alkaline agents (NaOH, and NaOH-NaNO3) to the slag, roasting temperature and time. At the optimum condition (0.67 mass ratio of NaOH to SS slag, 400 degrees C, 2 h) of NaOH roasting, chromium leaching was around 83%, while the matrix material was dissolved only to a limited extent (Si 8.0%). Mechanical activation of the SS slag prior to roasting reduced the optimum NaOH to SS slag mass ratio to 0.4. The addition of NaNO3 as an oxidant to the NaOH salt increased Cr leaching to 89% after roasting at 400 degrees C for 2 h. The remaining Cr phases in the residue were almost exclusively FeCr alloys. Further chromium dissolution from these alloys is prevented by a passivation layer of Fe oxides as shown by SEM/EDS images. Based on these results, a SS slag recycling process is suggested in which roasting-water leaching followed by water washing to remove Cr yields a residue which has potential for application as a construction material. (C) 2015 Elsevier B.V. All rights reserved. |
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Wos |
000366768000019 |
Publication Date |
2015-11-02 |
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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 |
0304-386x |
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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Open Access |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:130223 |
Serial |
8504 |
Permanent link to this record |
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Author |
Robberecht, H.; Van Grieken, R. |
Title |
Selenium content and speciation in environmental waters determied by X-ray fluorescence spectroscopy |
Type |
H3 Book chapter |
Year |
1980 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
362-366
T2 - Trace substances in environmental hea |
Keywords |
H3 Book chapter; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Edition |
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UA library record |
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Times cited |
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Open Access |
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no |
Call Number |
UA @ admin @ c:irua:117481 |
Serial |
8505 |
Permanent link to this record |
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Author |
vanden Berghe, D.; Deelstra, H.; Robberecht, H.; Van Grieken, R. |
Title |
Selenium content of soils and rye grass (Lolium multiflorum) in Belgium |
Type |
H3 Book chapter |
Year |
1981 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
85-105
T2 - Mineral elements '80 : part 1 |
Keywords |
H3 Book chapter; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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UA library record |
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Times cited |
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Open Access |
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no |
Call Number |
UA @ admin @ c:irua:117483 |
Serial |
8506 |
Permanent link to this record |
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Author |
Robberecht, H.; Deelstra, H.; vanden Berghe, D.; Van Grieken, R. |
Title |
Selenium gehalten van levensmiddelen geconsumeerd in België |
Type |
A3 Journal article |
Year |
1983 |
Publication |
Revue des fermentations et des industries alimentaires |
Abbreviated Journal |
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Volume |
37 |
Issue |
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Pages |
188-201 |
Keywords |
A3 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Place of Publication |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0035-2071 |
ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:116701 |
Serial |
8507 |
Permanent link to this record |
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Author |
Robberecht, H.; Van Grieken, R.; van Sprundel, M.; vanden Berghe, D.; Deelstra, H. |
Title |
Selenium in environmental and drinking waters of Belgium |
Type |
A1 Journal article |
Year |
1983 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
26 |
Issue |
2 |
Pages |
163-172 |
Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
The tetravalent and hexavalent selenium content of water samples can be determined by conventional energy-dispersive X-ray fluorescence after different preconcentration steps. Selenium values of nearly three-hundred different environmental and drinking water samples in Belgium are reported. The results are quite low, ranging from the detection limits up to 1 μg l−1. The concentration levels are compared to literature data and the speciation is discussed. The contribution of drinking water to the daily intake of selenium in Belgium ranges from less than 0.2 to 5%. |
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Wos |
A1983QD20900006 |
Publication Date |
2003-09-12 |
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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 |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:116647 |
Serial |
8508 |
Permanent link to this record |
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Author |
Robberecht, H.; Van Grieken, R. |
Title |
Selenium in environmental waters : determination, speciation and concentration levels |
Type |
A1 Journal article |
Year |
1982 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
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Volume |
29 |
Issue |
10 |
Pages |
823-844 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
This article reviews the different methods used for the determination of selenium species in all types of environmental waters. Basic difficulties are discussed and the efficiency of the methods is explained in view of the sub-μg/1. concentration levels. Special attention is paid to preconcentration steps. Published data on speciation and concentration levels in various water samples are critically reviewed. |
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Wos |
A1982PK22900004 |
Publication Date |
2002-07-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:113627 |
Serial |
8509 |
Permanent link to this record |
|
|
|
Author |
Robberecht, H.; vanden Berghe, D.; Deelstra, H.; Van Grieken, R. |
Title |
Selenium in the Belgian soils and its uptake by rye-grass |
Type |
A1 Journal article |
Year |
1982 |
Publication |
The science of the total environment |
Abbreviated Journal |
|
Volume |
25 |
Issue |
1 |
Pages |
61-69 |
Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Data obtained by atomic absorption spectroscopy showed a selenium concentration of only 0.11 ppm as an average value for the most representative agricultural soils in Belgium. The selenium content in rye-grass grown on different soil types was between 0.05 and 0.11 ppm, and positively correlated with the soil selenium level. Addition of selenium in the form of selenite to the different soil types resulted in an increased selenium uptake by the plant. The ultimate concentration in the plant depended on the structural and chemical composition of the soil. Twelve other elements were determined in the soils by energy-dispersive X-ray fluorescence; none showed a strong correlation with the soil selenium content or with the selenium uptake by ryegrass. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
|
Language |
|
Wos |
A1982PJ93000006 |
Publication Date |
2003-09-12 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0048-9697; 1879-1026 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:116646 |
Serial |
8510 |
Permanent link to this record |
|
|
|
Author |
Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C. |
Title |
Self-assembled vortex crystals induced by inhomogeneous magnetic textures |
Type |
A1 Journal article |
Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
Volume |
31 |
Issue |
17 |
Pages |
175402 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
|
Publication Date |
2019-01-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record |
Impact Factor |
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Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:191094 |
Serial |
8511 |
Permanent link to this record |
|
|
|
Author |
Haest, P.J.; Springael, D.; Seuntjens, P.; Smolders, E. |
Title |
Self-inhibition can limit biologically enhanced TCE dissolution from a TCE DNAPL |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Chemosphere |
Abbreviated Journal |
|
Volume |
89 |
Issue |
11 |
Pages |
1369-1375 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Biodegradation of trichloroethene (TCE) near a Dense Non Aqueous Phase Liquid (DNAPL) can enhance the dissolution rate of the DNAPL by increasing the concentration gradient at the DNAPL-water interface. Two-dimensional flow-through sand boxes containing a ICE DNAPL and inoculated with a TCE dechlorinating consortium were set up to measure this bio-enhanced dissolution under anaerobic conditions. The total mass of TCE and daughter products in the effluent of the biotic boxes was 3-6 fold larger than in the effluent of the abiotic box. However, the mass of daughter products only accounted for 19-55% of the total mass of chlorinated compounds in the effluent, suggesting that bio-enhanced dissolution factors were maximally 1.3-2.2. The enhanced dissolution most likely primarily resulted from variable DNAPL distribution rather than biodegradation. Specific dechlorination rates previously determined in a stirred liquid medium were used in a reactive transport model to identify the rate limiting factors. The model adequately simulated the overall TCE degradation when predicted resident microbial numbers approached observed values and indicated an enhancement factor for TCE dissolution of 1.01. The model shows that dechlorination of TCE in the 20 box was limited due to the short residence time and the self-inhibition of the TCE degradation. A parameter sensitivity analysis predicts that the bio-enhanced dissolution factor for this TCE source zone can only exceed a value of 2 if the TCE self-inhibition is drastically reduced (when a TCE tolerant dehalogenating community is present) or if the DNAPL is located in a low-permeable layer with a small Darcy velocity. (C) 2012 Elsevier Ltd. All rights reserved. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000310112600015 |
Publication Date |
2012-06-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0045-6535; 1879-1298 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:102142 |
Serial |
8512 |
Permanent link to this record |
|
|
|
Author |
Marikutsa, A.; Yang, L.; Rumyantseva, M.; Batuk, M.; Hadermann, J.; Gaskov, A. |
Title |
Sensitivity of nanocrystalline tungsten oxide to CO and ammonia gas determined by surface catalysts |
Type |
A1 Journal article |
Year |
2018 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
|
Volume |
277 |
Issue |
|
Pages |
336-346 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Nanocrystalline tungsten oxide with variable particle size and surface area was synthesized by aqueous deposition and heat treatment for use in resistive gas sensors. Surface modification with 1 wt.% Pd and Ru was performed by impregnation to improve the sensitivity to CO and ammonia. Acid and oxidation surface sites were evaluated by temperature-programmed techniques using probe molecules. The surface acidity dropped with increasing particle size, and was weakly affected by additives. Lower crystallinity of WO3 and the presence of Ru species favoured temperature-programmed reduction of the materials. Modifying WO3 increased its sensitivity, to CO at ambient condition for modification by Pd and to NH3 at elevated temperature for Ru modification. An in situ infrared study of the gas – solid interaction showed that the catalytic additives change the interaction route of tungsten oxide with the target gases and make the reception of detected molecules independent of the semiconductor oxide matrix. |
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 |
|
Language |
|
Wos |
000453066700042 |
Publication Date |
2018-09-09 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0925-4005 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:156219 |
Serial |
8513 |
Permanent link to this record |
|
|
|
Author |
Rezaei, M.; Seuntjens, P.; Joris, I.; Boenne, W.; Van Hoey, S.; Campling, P.; Cornelis, W.M. |
Title |
Sensitivity of water stress in a two-layered sandy grassland soil to variations in groundwater depth and soil hydraulic parameters |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Hydrology and earth system sciences |
Abbreviated Journal |
|
Volume |
20 |
Issue |
1 |
Pages |
487-503 |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Monitoring and modelling tools may improve irrigation strategies in precision agriculture. We used non-invasive soil moisture monitoring, a crop growth and a soil hydrological model to predict soil water content fluctuations and crop yield in a heterogeneous sandy grassland soil under supplementary irrigation. The sensitivity of the soil hydrological model to hydraulic parameters, water stress, crop yield and lower boundary conditions was assessed after integrating models. Free drainage and incremental constant head conditions were implemented in a lower boundary sensitivity analysis. A time-dependent sensitivity analysis of the hydraulic parameters showed that changes in soil water content are mainly affected by the soil saturated hydraulic conductivity K-s and the Mualem-van Genuchten retention curve shape parameters n and alpha. Results further showed that different parameter optimization strategies (two-, three-, four- or six-parameter optimizations) did not affect the calculated water stress and water content as significantly as does the bottom boundary. In this case, a two-parameter scenario, where K-s was optimized for each layer under the condition of a constant groundwater depth at 135-140 cm, performed best. A larger yield reduction, and a larger number and longer duration of stress conditions occurred in the free drainage condition as compared to constant boundary conditions. Numerical results showed that optimal irrigation scheduling using the aforementioned water stress calculations can save up to 12-22 % irrigation water as compared to the current irrigation regime. This resulted in a yield increase of 4.5-6.5 %, simulated by the crop growth model. |
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000369668400028 |
Publication Date |
2016-01-29 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1027-5606; 1607-7938 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:132259 |
Serial |
8514 |
Permanent link to this record |
|
|
|
Author |
Shani, J.; Barak, S.; Ram, M.; Levi, D.; Pfeifer, Y.; Schlesinger, T.; Avrach, W.W.; Robberecht, H.; Van Grieken, R. |
Title |
Serum bromine levels in psoriasis |
Type |
A1 Journal article |
Year |
1982 |
Publication |
Pharmacology |
Abbreviated Journal |
|
Volume |
25 |
Issue |
6 |
Pages |
297-307 |
Keywords |
A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Serum bromine levels in psoriatic Danes increased 2- to 3-fold during a 4-week bathing course in the Dead Sea. This increase correlated well with the improvement in their clinical and psychic condition. Serum bromine levels in psoriatic Danes were somewhat lower than those in healthy subjects residing in Denmark, but the difference was not significant. Israelis working in the open air in the Dead Sea area (air bromine 20-fold higher than in Jerusalem) had higher bromine levels than psoriatic or healthy Israelis residing in Jerusalem or healthy Israelis working in air-conditioned rooms in the Dead Sea area (p < 0.05), but those levels were still within the normal range. As our animal experimentation indicates that the skin is a major target organ for 82Br, applied either by bathing or as an aerosol, we conclude that the higher bromine levels noticed in the psoriatic Danes after their 4-week stay at the Dead Sea may be equally due to their contact with the bromine-containing aerosol and the high bromine level of the Dead Sea waters. |
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 |
A1982PV13800001 |
Publication Date |
2008-06-05 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0031-7012 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:116653 |
Serial |
8515 |
Permanent link to this record |
|
|
|
Author |
Cui, Z.; Zhou, C.; Jafarzadeh, A.; Zhang, X.; Hao, Y.; Li, L.; Bogaerts, A. |
Title |
SF₆ degradation in γ-Al₂O₃ packed DBD system : effects of hydration, reactive gases and plasma-induced surface charges |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Plasma chemistry and plasma processing |
Abbreviated Journal |
|
Volume |
43 |
Issue |
|
Pages |
635-656 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Packed-bed DBD (PB-DBD) plasmas hold promise for effective degradation of greenhouse gases like SF6. In this work, we conducted a combined experimental and theoretical study to investigate the effect of the packing surface structure and the plasma surface discharge on the SF6 degradation in a gamma-Al2O3 packing DBD system. Experimental results show that both the hydration effect of the surface (upon moisture) and the presence of excessive reactive gases in the plasma can significantly reduce the SF6 degradation, but they hardly change the discharge behavior. DFT results show that the pre-adsorption of species such as H, OH, H2O and O-2 can occupy the active sites (Al-III site) which negatively impacts the SF6 adsorption. H2O molecules pre-adsorbed at neighboring sites can promote the activation of SF6 molecules and lower the reaction barrier for the S-F bond-breaking process. Surface-induced charges and local external electric fields caused by the plasma can both improve the SF6 adsorption and enhance the elongation of the S-F bonds. Our results indicate that both the surface structure of the packing material and the plasma surface discharge are crucial for SF6 degradation performance, and the packing beads should be kept dry during the degradation. This work helps to understand the underlying mechanisms of SF6 degradation in a PB-DBD system. |
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 |
000966639200001 |
Publication Date |
2023-04-10 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0272-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.6 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.6; 2023 IF: 2.355 |
Call Number |
UA @ admin @ c:irua:196033 |
Serial |
8516 |
Permanent link to this record |
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|
|
Author |
Daems, E. |
Title |
Shaping up oligonucleotides : aptamer-target recognition investigated by native mass spectrometry |
Type |
Doctoral thesis |
Year |
2021 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
235 p. |
Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
Aptamers are short, synthetic DNA or RNA molecules that are characterized by a specific 3D conformation which enables specific target recognition. Aptamers are promising tools in many application fields from sensing to therapeutics. One of the major challenges in the aptamer field is understanding the relationship between the sequence and what determines the higher-order structure and specific interactions with targets. Therefore, this PhD thesis focuses on the use of different mass spectrometry (MS) based approaches to characterize aptamers and their interactions. Several of these approaches are already widely applied to study other biomolecules, such as proteins, but are still largely unexplored for aptamers and oligonucleotides in general. A first focus was put on obtaining information on the higher-order structure and conformational stability of aptamers using a combination of MS and with ion mobility (IM) spectrometry by performing collision-induced unfolding (CIU) experiments. CIU was shown to hold great promise to analyze the conformational dynamics and gas-phase stabilities of aptamers. Next, the capabilities and limitations of native IM-MS for the analysis of noncovalent interactions of aptamers were demonstrated. The conformational behavior and interactions of cocaine-binding aptamers were studied and it was found that relative binding affinities of aptamers that only differ slightly in sequence and structure can be determined using native MS. Moreover, native IM-MS allowed the detection of small conformational changes upon binding of a target, which were found to be dependent on the binding mode of the aptamer. An adaptive binding mechanism was suggested for flexible aptamers that require more reorganization upon binding. In the final part of this thesis, the importance of thoroughly characterizing and validating aptamer-target interactions before using them in an application was emphasized. Moreover, the gathered insights were applied in our own development of a proof-of-concept aptamer-based sensor. This was shown by investigating the interactions of ampicillin aptamers which were found to not bind the target they were selected for in the first place. A multi-analytical approach combining complementary techniques was used for this purpose since no single technique is generally applicable to characterize all aptamers and their interactions and to obtain a comprehensive picture of the aptamer-target interactions. Furthermore, such multi-analytical approach was used to characterize a testosterone-binding aptamer while developing an aptamer-based electrochemiluminescent sensing strategy for this target. This shows the importance of native MS, in combination with other techniques, to thoroughly understand the aptamer-target interactions in the development of a designed application. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:178116 |
Serial |
8517 |
Permanent link to this record |
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|
|
Author |
Godoi, R.H.M.; Kontozova, V.; Van Grieken, R. |
Title |
The shielding effect of the protective glazing of historical stained glass windows from an atmospheric chemistry perspective: case study Sainte Chapelle, Paris |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
|
Volume |
40 |
Issue |
7 |
Pages |
1255-1265 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
|
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 |
000236210300007 |
Publication Date |
2005-11-29 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1352-2310 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:55838 |
Serial |
8518 |
Permanent link to this record |
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|
Author |
De Cocker, P.; Bessiere, Y.; Hernandez-Raquet, G.; Dubos, S.; Mercade, M.; Sun, X.Y.; Mozo, I.; Barillon, B.; Gaval, G.; Caligaris, M.; Martin Ruel, S.; Vlaeminck, S.E.; Sperandio, M. |
Title |
Short and long term effect of decreasing temperature on anammox activity and enrichment in mainstream granular sludge process |
Type |
P1 Proceeding |
Year |
2017 |
Publication |
|
Abbreviated Journal |
|
Volume |
4 |
Issue |
|
Pages |
50-54
T2 - Frontiers International Conference on W |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
This study investigates the impact of lower temperature on short term and long term (down to 10 degrees C) on a completely anoxic anammox granular sludge process. This is the first time granular sludge Anammox is operated in pure anoxic condition in SBR and at low temperature. Conversion performance, kinetic parameters, sludge characteristics and microbial community were analyzed. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2017-05-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:151120 |
Serial |
8519 |
Permanent link to this record |
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|
Author |
De Cocker, P.; Bessiere, Y.; Hernandez-Raquet, G.; Dubos, S.; Mercade, M.; Sun, X.Y.; Mozo, I.; Barillon, B.; Gaval, G.; Caligaris, M.; Ruel, S.M.; Vlaeminck, S.E.; Sperandio, M. |
Title |
Short and long term effect of decreasing temperature on anammox activity and enrichment in mainstream granular sludge process |
Type |
P1 Proceeding |
Year |
2017 |
Publication |
Frontiers In Wastewater Treatment And Modelling, Ficwtm 2017 |
Abbreviated Journal |
|
Volume |
4 |
Issue |
|
Pages |
50-54
T2 - Frontiers International Conference on W |
Keywords |
P1 Proceeding; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
This study investigates the impact of lower temperature on short term and long term (down to 10 degrees C) on a completely anoxic anammox granular sludge process. This is the first time granular sludge Anammox is operated in pure anoxic condition in SBR and at low temperature. Conversion performance, kinetic parameters, sludge characteristics and microbial community were analyzed. |
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 |
000430181700008 |
Publication Date |
2017-05-04 |
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 |
|
ISSN |
978-3-319-58421-8; 978-3-319-58420-1; 978-3-319-58420-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
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Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:151640 |
Serial |
8520 |
Permanent link to this record |
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|
Author |
Koutsenogii, P.K.; van Malderen, H.; Hoornaert, S.; Van Grieken, R.; Koutsenogii, K.P.; Boufetov, N.; Makarov, V.I.; Smoljakov, B.S.; Nemirovski, A.M.; Osipova, L.P.; Krjukov, J.A.; Ivakin, E.A.; Posukh, O.L.; Bronstein, E.L. |
Title |
Siberian Haze: complex study of aerosols in Siberia |
Type |
A3 Journal article |
Year |
1996 |
Publication |
Optics of the atmosphere and ocean |
Abbreviated Journal |
|
Volume |
9 |
Issue |
|
Pages |
712-719 |
Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:14652 |
Serial |
8521 |
Permanent link to this record |
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|
Author |
Zhang, Q.; De Clippeleir, H.; Al-Omari, A.; Wett, B.; Vlaeminck, S.E.; Murthy, S. |
Title |
Sidestream deammonification on thermal hydrolysis process digestate : strategies to overcome nitritation inhibition |
Type |
P3 Proceeding |
Year |
2015 |
Publication |
|
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
11 p.
T2 - IWA Nutrient Removal and Recovery 2015: |
Keywords |
P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
Call Number |
UA @ admin @ c:irua:151147 |
Serial |
8522 |
Permanent link to this record |
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|
Author |
Chaves, A.; Sousa, G.O.; Khaliji, K.; da Costa, D.R.; Farias, G.A.; Low, T. |
Title |
Signatures of subband excitons in few-layer black phosphorus |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
Volume |
103 |
Issue |
16 |
Pages |
165428 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Recent experimental measurements of light absorption in few-layer black phosphorus (BP) revealed a series of high and sharp peaks, interspersed by pairs of lower and broader features. Here, we propose a theoretical model for these excitonic states in few-layer BP within a continuum approach for the in-plane degrees of freedom and a tight-binding approximation that accounts for interlayer couplings. This yields excitonic transitions between different combinations of the subbands created by the coupled BP layers, which leads to a series of high and low oscillator strength excitonic states, consistent with the experimentally observed bright and dark exciton peaks, respectively. The main characteristics of such subband exciton states, as well as the possibility to control their energies and oscillator strengths via applied electric and magnetic fields, are discussed, towards a full understanding of the excitonic spectrum of few-layer BP and its tunability. |
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 |
000647175200002 |
Publication Date |
2021-04-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ admin @ c:irua:178384 |
Serial |
8523 |
Permanent link to this record |
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|
Author |
Markowicz, A.; Storms, H.; Van Grieken, R. |
Title |
A simple absorption correction for electron probe X-ray microanalysis of bulk samples |
Type |
A1 Journal article |
Year |
1986 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
Volume |
15 |
Issue |
2 |
Pages |
115-119 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
A simple procedure is proposed for the calculation of the absorption correction factor in electron-probe x-ray microanalysis. It is based on the concept of an effective depth of x-ray production, assuming a rectangular depth distribution function for x-ray generation. This effective x-ray production depth is expressed as a fraction of the x-ray excitation depth given by Whelan's expression. Adequate values for this fraction are presented. Two versions are considered. In the first the effective x-ray production is a function of both the characteristic x-ray energy and the atomic numbers of the matrix elements, whereas in the second one, which is indicated for routine use, the energy dependence is neglected. Calculations pointed to satisfactory results, even for low x-ray energies and high overvoltages. |
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 |
A1986C017300007 |
Publication Date |
2005-05-28 |
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 |
|
ISSN |
0049-8246 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:113872 |
Serial |
8524 |
Permanent link to this record |
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Author |
Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. |
Title |
Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics |
Type |
A1 Journal article |
Year |
2023 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
|
Volume |
127 |
Issue |
11 |
Pages |
5395-5407 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments. |
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 |
000971346700001 |
Publication Date |
2023-03-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.7 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.7; 2023 IF: 4.536 |
Call Number |
UA @ admin @ c:irua:196071 |
Serial |
8525 |
Permanent link to this record |