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Author  |
Smits, J.; Van Grieken, R. |
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Title |
Chelating 2,2′-diaminodiethylamine cellulose filters and X-ray fluorescence for preconcentration and trace analysis of natural waters |
Type |
A1 Journal article |
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Year |
1981 |
Publication |
International journal of environmental analytical chemistry |
Abbreviated Journal |
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Volume |
9 |
Issue |
2 |
Pages |
81-92 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The 2,2′-diaminodiethylamine (DEN) functional group can be expected to have ideal properties for the chelation of transition metals and their collection from aqueous solutions, independent of the alkali and alkaline earth ions concentration. Introducing DEN into cellulose filters allows straightforward preconcentration of trace cations by a simple filtration step, and the DEN-filter constitutes a suitable target for X-ray fluorescence (XRF) analysis. The linearity between the XRF-response on the loaded DEN-filter and the trace cation concentration in the solution appears excellent, up to a total filter capacity of ca. 3 μeq.cm−2. The detection limits are around 0.5 μg. l−1 in most practical cases. Accuracy and precision are around 10%. The applicability of the proposed procedure is illustrated on a comparative basis by XRF-analysis of drinking water and surface water, after preconcentration by DEN-filtration and by alternative procedures. |
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Wos |
A1981LF48000001 |
Publication Date |
2007-07-07 |
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ISSN |
0306-7319 |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:116571 |
Serial |
7638 |
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| Permanent link to this record |
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Author |
Smits, J.; Van Grieken, R. |
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Title |
Enrichment of trace anions from water with 2,2'-diaminodiethylamine cellulose filters |
Type |
A1 Journal article |
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Year |
1981 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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Volume |
123 |
Issue |
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Pages |
9-17 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Cellulose filters with immobilized 2,2'-diaminodiethylamine (DEN) functional groups are studied for trace anion preconcentration from aqueous solution, with subsequent x-ray fluorescence measurements. For most oxoanions with a central metal atom, nearly quantitative collection can be achieved by 10-cm2 DEN filters under the following optimized conditions: pH 36, filtration rate up to 0.5 ml cm-2 min-1, and sample volume up to 100 ml cm-2. The collection yield is independent of the trace oxoanion concentration up to at least 1.5 μmol cm-2. Although the DEN filter exhibits some selectivity towards oxoanions with a central metal atom, ionic strength affects the results; the collection efficiency is strongly depressed with salt (e.g. NaCl) concentrations above 0.01 M. The applicability of the DEN filter in anion collection is therefore limited to dilute solutions. |
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Wos |
A1981LA22400002 |
Publication Date |
2002-07-25 |
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ISSN |
0003-2670; 1873-4324 |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:116437 |
Serial |
7922 |
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Author |
Smits, J.; Van Grieken, R. |
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Title |
Optimization of a simple spotting procedure for x-ray fluorescence analysis of waters |
Type |
A1 Journal article |
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Year |
1977 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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Volume |
88 |
Issue |
1 |
Pages |
97-107 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Several sample preparation methods for waters for energy-dispersive x.r.f. were examined, as well as the influence of sample size on the analytical characteristics. The most satisfactory simple, rapid method proved to be spotting of 1.5 ml of water sample on a Whatman-41 cellulose filter paper provided with a wax ring of 29-mm diameter and evaporating the water with an unheated air stream from underneath. Sensitivities are below 100 p.p.b. for most elements and often below 50 p.p.b. when the optimal secondary fluorescer is used. Accuracy and precision are usually in the 1520 % range. The method is applicable to many dilute aqueous solutions as is illustrated by analysis of industrial water samples and ashed biological material. |
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Wos |
A1977CQ82600011 |
Publication Date |
2002-07-25 |
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ISSN |
0003-2670; 1873-4324 |
ISBN |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:116367 |
Serial |
8337 |
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Author |
Smits, J.; Van Grieken, R. |
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Title |
Synthesis of a chelating cellulose filter with 2,2-diaminodiethylamine functional groups |
Type |
A3 Journal article |
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Year |
1978 |
Publication |
Zeitschrift für angewandte Makromolekare Chemie |
Abbreviated Journal |
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Volume |
72 |
Issue |
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Pages |
105-113 |
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Keywords |
A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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no |
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Call Number |
UA @ admin @ c:irua:116644 |
Serial |
8637 |
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Author |
Smits, J.; Nelissen, J.; Van Grieken, R. |
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Title |
Comparison of preconcentration procedures for trace metals in natural waters |
Type |
A1 Journal article |
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Year |
1979 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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Volume |
111 |
Issue |
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Pages |
215-226 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The relative merits of eight procedures for preconcentrations of trace metal ions from natural water samples and synthetic solutions are evaluated. Spikes (100 μg l−1 ) of Mn, Co, Zn, Eu, Cs and Ba and the corresponding radioactive tracers were added to batches of drinking water, estuarine water, sea water, ground water, twice-distilled water and ahumic material solution. After equilibration for 25 months, the following techniques were applied: passage through columns of Dowex Al chelating resin and ofsilylated silica gel, filtration through laminate membrane filters and chelating diethylenetriamine cellulose filters, precipitation with sodium diethyldithiocarbamate and l-(2-pyridylazo)-2-naphthol, extraction with ammonium pyrrolidinedithiocarbamate, and chelation by 8-quinolinol (oxine) followed by adsorption on activated carbon. The quantitative characteristics of these techniques and the influence of the water matrix effects are discussed, as well as the applicability for x-ray fluorescence analysis. |
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Wos |
A1979HX09300018 |
Publication Date |
2002-07-25 |
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ISSN |
0003-2670; 1873-4324 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:116369 |
Serial |
7695 |
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Author |
Šmit, Ž.; Janssens, K.; Schalm, O.; Kos, M. |
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Title |
Analysis of façon-de-Venise glass originating from Central and Western Europe |
Type |
H3 Book chapter |
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Year |
2005 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
165-176 |
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Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Additional Links |
UA library record |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:52705 |
Serial |
5467 |
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Author |
Smets, W.; Wuyts, K.; Oerlemans, E.; Wuyts, S.; Denys, S.; Samson, R.; Lebeer, S. |
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Title |
Impact of urban land use on the bacterial phyllosphere of ivy (Hedera sp.) |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
147 |
Issue |
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Pages |
376-383 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The surface of the aerial parts of the plant, also termed the phyllosphere, is a selective habitat for microbes. The bacterial composition of the phyllosphere depends on host plant species, leaf characteristics, season, climate, and geographic location of the host plant. In this study, we investigated the effect of an urban environment on the bacterial composition of phyllosphere communities. We performed a passive biomonitoring experiment in which leaves were sampled from ivy (Hedera sp.), a common evergreen climber species, in urban and non-urban locations. Exposure to traffic-generated particulate matter was estimated using leaf biomagnetic analyses. The bacterial community composition was determined using 16S rRNA gene sequencing on the Illumina MiSeq. The phyllosphere microbial communities of ivy differed greatly between urban and non-urban locations, as we observed a shift in several of the dominant taxa: Beijerinckia and Methylocystaceae were most abundant in the non-urban phyllosphere, whereas Hymenobacter and Sphingomonadaceae were dominating the urban ivy phyllosphere. The richness, diversity and composition of the communities showed greater variability in the urban than in the non-urban locations, where traffic-generated PM was lower. Interestingly, the relative abundances of eight of the ten most dominant taxa correlated well with leaf magnetism, be it positive or negative. The results of this study indicate that an urban environment can greatly affect the local phyllosphere community composition. Although other urban-related factors cannot be ruled out, the relative abundance of most of the dominant taxa was significantly correlated with exposure to traffic-generated PM. |
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Wos |
000388543600033 |
Publication Date |
2016-10-15 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:136110 |
Serial |
8066 |
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Author |
Smets, W.; Moretti, S.; Denys, S.; Lebeer, S. |
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Title |
Airborne bacteria in the atmosphere : presence, purpose, and potential |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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Volume |
139 |
Issue |
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Pages |
214-221 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Numerous recent studies have highlighted that the types of bacteria present in the atmosphere often show predictable patterns across space and time. These patterns can be driven by differences in bacterial sources of the atmosphere and a wide range of environmental factors, including UV intensity, precipitation events, and humidity. The abundance of certain bacterial taxa is of interest, not only for their ability to mediate a range of chemical and physical processes in the atmosphere, such as cloud formation and ice nucleation, but also for their implications -both beneficial and detrimental-for human health. Consequently, the widespread importance of airborne bacteria has stimulated the search for their applicability. Improving air quality, modelling the dispersal of airborne bacteria (e.g. pathogens) and biotechnological purposes are already being explored. Nevertheless, many technological challenges still need to be overcome to fully understand the roles of airborne bacteria in our health and global ecosystems. |
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Wos |
000379093900021 |
Publication Date |
2016-05-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1352-2310 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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no |
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Call Number |
UA @ admin @ c:irua:133711 |
Serial |
7432 |
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Author |
Smets, B.; Boschker, H.T.S.; Wetherington, M.T.; Lelong, G.; Hidalgo-Martinez, S.; Polerecky, L.; Nuyts, G.; De Wael, K.; Meysman, F.J.R. |
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Title |
Multi-wavelength Raman microscopy of nickel-based electron transport in cable bacteria |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Frontiers in microbiology |
Abbreviated Journal |
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Volume |
15 |
Issue |
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Pages |
1208033-16 |
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Keywords |
A1 Journal article |
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Abstract |
Cable bacteria embed a network of conductive protein fibers in their cell envelope that efficiently guides electron transport over distances spanning up to several centimeters. This form of long-distance electron transport is unique in biology and is mediated by a metalloprotein with a sulfur-coordinated nickel (Ni) cofactor. However, the molecular structure of this cofactor remains presently unknown. Here, we applied multi-wavelength Raman microscopy to identify cell compounds linked to the unique cable bacterium physiology, combined with stable isotope labeling, and orientation-dependent and ultralow-frequency Raman microscopy to gain insight into the structure and organization of this novel Ni-cofactor. Raman spectra of native cable bacterium filaments reveal vibrational modes originating from cytochromes, polyphosphate granules, proteins, as well as the Ni-cofactor. After selective extraction of the conductive fiber network from the cell envelope, the Raman spectrum becomes simpler, and primarily retains vibrational modes associated with the Ni-cofactor. These Ni-cofactor modes exhibit intense Raman scattering as well as a strong orientation-dependent response. The signal intensity is particularly elevated when the polarization of incident laser light is parallel to the direction of the conductive fibers. This orientation dependence allows to selectively identify the modes that are associated with the Ni-cofactor. We identified 13 such modes, some of which display strong Raman signals across the entire range of applied wavelengths (405–1,064 nm). Assignment of vibrational modes, supported by stable isotope labeling, suggest that the structure of the Ni-cofactor shares a resemblance with that of nickel bis(1,2-dithiolene) complexes. Overall, our results indicate that cable bacteria have evolved a unique cofactor structure that does not resemble any of the known Ni-cofactors in biology. |
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Wos |
001189511900001 |
Publication Date |
2024-03-08 |
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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 |
1664-302x |
ISBN |
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Additional Links |
UA library record; WoS full record |
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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:205115 |
Serial |
9214 |
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| Permanent link to this record |
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Author |
Smekens, A.; Vervoort, M.; Pauwels, J.; Berghmans, P.; van Espen, P.; Van Grieken, R. |
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Title |
Morphology and fractal dimension of soot and carbon black aggregates determined by image analysis |
Type |
P3 Proceeding |
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Year |
1998 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
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Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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UA library record |
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Call Number |
UA @ admin @ c:irua:22779 |
Serial |
8283 |
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Author |
Smekens, A.; Knupfer, M.; Berghmans, P.; Van Grieken, R. |
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Title |
The elemental composition and microstructure of soot emitted by different sources |
Type |
A1 Journal article |
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Year |
2000 |
Publication |
Journal of aerosol science |
Abbreviated Journal |
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Volume |
31 |
Issue |
S1 |
Pages |
917-918 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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ISSN |
0021-8502; 1879-1964 |
ISBN |
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UA library record |
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no |
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Call Number |
UA @ admin @ c:irua:31647 |
Serial |
7887 |
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Author |
Smekens, A.; Godoi, R.H.M.; Vervoort, M.; van Espen, P.; Potgieter-Vermaak, S.S.; Van Grieken, R. |
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Title |
Characterization of individual soot aggregates from different sources using image analysis |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of atmospheric chemistry |
Abbreviated Journal |
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Volume |
56 |
Issue |
3 |
Pages |
211-223 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
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Wos |
000245105900001 |
Publication Date |
2007-01-02 |
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Abbreviated Series Title |
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Series Volume |
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Edition |
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ISSN |
0167-7764 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:63840 |
Serial |
7628 |
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| Permanent link to this record |
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Author |
Smekens, A.; Godoi, R.H.M.; Berghmans, P.; Van Grieken, R. |
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Title |
Characterisation of soot emitted by domestic heating, aircraft and cars using diesel or biodiesel |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Journal of atmospheric chemistry |
Abbreviated Journal |
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Volume |
52 |
Issue |
1 |
Pages |
45-62 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Wos |
000232793100003 |
Publication Date |
2005-10-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0167-7764 |
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:55211 |
Serial |
7601 |
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| Permanent link to this record |
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| |
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Author |
Smekens, A.; Berghmans, P.; Van Grieken, R. |
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| |
Title |
The size distribution and surface area of soot emitted by different sources |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Journal of aerosol science |
Abbreviated Journal |
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| |
Volume |
31 |
Issue |
S1 |
Pages |
706-707 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Wos |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8502; 1879-1964 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:31643 |
Serial |
8545 |
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| Permanent link to this record |
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Author |
Sleegers, N. |
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| |
Title |
Cephalosporin antibiotics : electrochemical fingerprints and redox pathways investigated by mass spectral analysis |
Type |
Doctoral thesis |
| |
Year |
2021 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
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Issue |
|
Pages |
208 p. |
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| |
Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
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Edition |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:181014 |
Serial |
7588 |
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| Permanent link to this record |
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Author |
Slavkovic, S.; Shoara, A.A.; Churcher, Z.R.; Daems, E.; De Wael, K.; Sobott, F.; Johnson, P.E. |
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| |
Title |
DNA binding by the antimalarial compound artemisinin |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Scientific reports |
Abbreviated Journal |
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| |
Volume |
12 |
Issue |
1 |
Pages |
133 |
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| |
Keywords |
A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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| |
Abstract |
Artemisinin (ART) is a vital medicinal compound that is used alone or as part of a combination therapy against malaria. ART is thought to function by attaching to heme covalently and alkylating a range of proteins. Using a combination of biophysical methods, we demonstrate that ART is bound by three-way junction and duplex containing DNA molecules. Binding of ART by DNA is first shown for the cocaine-binding DNA aptamer and extensively studied using this DNA molecule. Isothermal titration calorimetry methods show that the binding of ART is both entropically and enthalpically driven at physiological NaCl concentration. Native mass spectrometry methods confirm DNA binding and show that a non-covalent complex is formed. Nuclear magnetic resonance spectroscopy shows that ART binds at the three-way junction of the cocaine-binding aptamer, and that binding results in the folding of the structure-switching variant of this aptamer. This structure-switching ability was exploited using the photochrome aptamer switch assay to demonstrate that ART can be detected using this biosensing assay. This study is the first to demonstrate the DNA binding ability of ART and should lay the foundation for further work to study implications of DNA binding for the antimalarial activity of ART. |
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Corporate Author |
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Wos |
000740510500120 |
Publication Date |
2022-01-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
|
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 |
OpenAccess |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:184507 |
Serial |
8851 |
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| Permanent link to this record |
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| |
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Author |
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
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Title |
On the quasi-random entropy of linear species |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Theochem: applications of theoretical chemistry to organic, inorganic and biological problems |
Abbreviated Journal |
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| |
Volume |
99 |
Issue |
|
Pages |
83-87 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1993KU09200010 |
Publication Date |
0000-00-00 |
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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 |
0166-1280 |
ISBN |
|
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 @ lucian @ c:irua:6147 |
Serial |
2448 |
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| Permanent link to this record |
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Author |
Skorikov, A.; Heyvaert, W.; Albrecht, W.; Pelt, D.M.; Bals, S. |
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Title |
EMAT Simulated 3D Nanoparticle Structures Dataset |
Type |
Dataset |
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Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
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Abstract |
This dataset contains 1000 simulated nanoparticle-like 3D structures and noisy EDX-like elemental maps based on them. These data are intended to be used for quantitative analysis of data processing methods in (EDX) tomography of nanoparticles and training the data-driven approaches for these tasks. The dataset is structured as follows: voxel_data/clean 3D voxel grid representation of the simulated nanoparticles. Voxel intensities are adjusted so that the total intensity equals 103. All 3D structures have unique identifiers in 0..999 range. The data derived from a 3D structure preserves this unique identifier. sinograms/clean Tilt series of projection images obtained from the corresponding 3D structures over an angular range of -75..75 degrees with a tilt step of 10 degrees to simulate a typical tilt series used in EDX tomography. Total intensity in each projection image equals 103. sinograms/noisy Tilt series of projection images corrupted with Poisson noise and an additional spatially uniform background noise. projections/clean Projection images extracted from the clean tilt series at 0 degrees tilt angle. projections/noisy Projection images extracted from the noisy tilt series at 0 degrees tilt angle. images/clean Visualizations of the clean projections as PNG images with the intensity range adjusted to 0..255 images/noisy Visualizations of the noisy projections as PNG images with the intensity range adjusted to 0..255 |
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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 |
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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 |
Not_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:180615 |
Serial |
6838 |
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| Permanent link to this record |
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Author |
Skorikov, A. |
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Title |
Fast approaches for investigating 3D elemental distribution in nanomaterials |
Type |
Doctoral thesis |
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Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
143 p. |
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Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
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Series Editor |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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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:178855 |
Serial |
6795 |
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| Permanent link to this record |
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Author |
Siriwardane, E.M.D.; Karki, P.; Sevik, C.; Cakir, D. |
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Title |
Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Applied surface science |
Abbreviated Journal |
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| |
Volume |
458 |
Issue |
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Pages |
762-768 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this study, we predicted two new stable metallic Re-C based monolayer structures with a rectangular (r-ReC2) and a hexagonal (h-Re2C) crystal symmetry using first-principle calculations based on density functional theory. Our results obtained from mechanical and phonon calculations and high-temperature molecular dynamic simulations clearly proved the stability of these two-dimensional (2D) crystals. Interestingly, Re-C monolayers in common transition metal carbide structures (i.e. MXenes) were found to be unstable, contrary to expectations. We found that the stable structures, i.e. r-ReC2 and h-Re2C, display superior mechanical properties over the well-known 2D materials. The Young's modulus for r-ReC2 and h-Re2C are extremely high and were calculated as 351 (1310) and 617 (804) N/m (GPa), respectively. Both materials have larger Young's modulus values than the most of the well-known 2D materials. We showed that the combination of the short strong directional p-d bonds, the high coordination number of atoms in the unit-cell and high valence electron density result in strong mechanical properties. Due to its crystal structure, the r-ReC2 monolayer has anisotropic mechanical properties and the crystallographic direction parallel to the C-2 dimers is stiffer compared to perpendicular direction due to strong covalent bonding within C-2 dimers. h-Re2C was derived from the corresponding bulk structure for which we determined the critical thickness for the dynamically stable bulk-derived monolayer structures. In addition, we also investigated the electronic of these two stable structures. Both exhibit metallic behavior and Re-5d orbitals dominate the states around the Fermi level. Due to their ultra high mechanical stability and stiffness, these novel Re-C monolayers can be exploited in various engineering applications. |
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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 |
000441400000088 |
Publication Date |
2018-07-11 |
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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 |
0169-4332 |
ISBN |
|
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:193776 |
Serial |
7875 |
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| Permanent link to this record |
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Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. |
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Title |
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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| |
Volume |
2 |
Issue |
2 |
Pages |
1251-1258 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications. |
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Place of Publication |
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Wos |
000459948900037 |
Publication Date |
2019-01-04 |
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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 |
2574-0962 |
ISBN |
|
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:193759 |
Serial |
7414 |
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| Permanent link to this record |
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Author |
Simoen, J.; De Meyer, S.; Vanmeert, F.; De Keyser, N.; Avranovich, E.; van der Snickt, G.; Van Loon, A.; Keune, K.; Janssens, K. |
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Title |
Combined Micro- and Macro scale X-ray powder diffraction mapping of degraded Orpiment paint in a 17th century still life painting by Martinus Nellius |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
83 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
The spontaneous chemical alteration of artists' pigment materials may be caused by several degradation processes. Some of these are well known while others are still in need of more detailed investigation and documentation. These changes often become apparent as color modifications, either caused by a change in the oxidation state in the original material or the formation of degradation products or salts, via simple or more complex, multistep reactions. Arsenic-based pigments such as orpiment (As2S3) or realgar (alpha-As4S4) are prone to such alterations and are often described as easily oxidizing upon exposure to light. Macroscopic X-ray powder diffraction (MA-XRPD) imaging on a sub area of a still life painting by the 17th century Dutch painter Martinus Nellius was employed in combination with microscopic (mu-) XRPD imaging of a paint cross section taken in the area imaged by MA-XRPD. In this way, the in situ formation of secondary metal arsenate and sulfate species and their migration through the paint layer stack they originate from could be visualized. In the areas originally painted with orpiment, it could be shown that several secondary minerals such as schultenite (PbHAsO4), mimetite (Pb-5(AsO4)(3)Cl), palmierite (K2Pb(SO4)(2)) and syngenite (K2Ca(SO4)(2)center dot H2O) have formed. Closer inspection of the cross-sectioned paint layer stack with mu-XRPD illustrates that the arsenate minerals schultenite and mimetite have precipitated at the interface between the orpiment layer and the layer below that is rich in lead white, i.e. close to the depth of formation of the arsenate ions. The sulfate palmierite has mostly precipitated at the surface and upper layers of the painting. |
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Place of Publication |
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Wos |
000490592700001 |
Publication Date |
2019-10-16 |
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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 |
2050-7445 |
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 |
2 |
Open Access |
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Notes |
; The authors acknowledge financial support from the NWO (The Hague) Science4Arts 'ReVisRembrandt' project (AvL, JD), the GOA Project Solarpaint (University of Antwerp Research Council) (SdM) and the METOX project (Belgian Federal Science Policy) (FvM). Special thanks go to the support received from FWO, Brussels via projects G056619 N and G054719 N (GvdS, KJ) and from NWO, The Hague via project NICAS/3D2P (KK, NdK). Parts of the MA-XRPD scanner could be purchased thanks to InterReg Project Smart*Light. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:163693 |
Serial |
5521 |
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| Permanent link to this record |
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Author |
Simionovici, A.S.; Chukalina, M.; Drakopoulos, M.; Snigireva, I.; Snigirev, A.; Schroer, C.; Lengeler, B.; Janssens, K.; Adams, F. |
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Title |
X-ray fluorescence microtomography: experiment and reconstruction |
Type |
H3 Book chapter |
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Year |
1999 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
304-310 |
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Keywords |
H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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:26196 |
Serial |
5915 |
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| Permanent link to this record |
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Author |
Silva, F.S.; Godoi, R.H.M.; Tauler, R.; de André, P.A.; Saldiva, P.H.N.; Van Grieken, R.; de Marchi, M.R.R. |
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Title |
Elemental composition of PM2.5 in Araraquara City (Southeast Brazil) during seasons with and without sugar cane burning |
Type |
A2 Journal article |
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Year |
2015 |
Publication |
Journal of environmental protection |
Abbreviated Journal |
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Volume |
6 |
Issue |
5 |
Pages |
426-434 |
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Keywords |
A2 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Particulate matter with an aerodynamic diameter below 2.5 μm (PM2.5), present in polluted air, has been associated with a large spectrum of health impairments, mainly because of its deep deposition into the lungs. Araraquara City (Southeast Brazil) is surrounded by sugar-cane plantations, which are burned to facilitate the harvesting; this process causes environmental pollution due to the large amounts of soot that are released into the atmosphere. In this work, the elemental composition of PM2.5 was studied in two scenarios, namely in sugar-cane harvesting (HV) and in non-harvesting (NHV) seasons. The sampling strategy included one campaign in each season. PM2.5 was collected using a dichotomous sampler (10 L·min-1, 24 h) with PTFE filters. Information concerning the bulk elemental concentration was provided by energy-dispersive X-ray fluorescence. Enrichment factor analysis indicated that S, Cl, K, Cr, Ni, Cu, Zn, As, Cd and Pb were highly enriched relative to their crustal ratios (to Al). Principal component analysis was used to get some insight about the sources of the elements. Principal component 1 (PC1) explained 30.5% of data variance. The elements that had high loading (>0.7) were: S, Cr, As, and Pb; these are associated with combustion of fossil fuels. In principal component 2 (PC2), Cl, Cu, Zn, and Cd showed high loadings; these elements are associated with biomass burning. The Ni concentration found is three times larger than the threshold of risk for lung cancer, as recommended by the World Health Organization. |
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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 |
2015-05-04 |
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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 |
2152-2197 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:125885 |
Serial |
7891 |
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| Permanent link to this record |
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Author |
Sillanpää, M.; Saarikoski, S.; Hillamo, R.; Pennanen, A.; Makkonen, U.; Spolnik, Z.; Van Grieken, R.; Koskentalo, T.; Salonen, R.O. |
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| |
Title |
Chemical composition, mass size distribution and source analysis of long-range transported wildfire smokes in Helsinki |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
The science of the total environment |
Abbreviated Journal |
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| |
Volume |
350 |
Issue |
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Pages |
119-135 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000233225300011 |
Publication Date |
2005-04-08 |
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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 |
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:54253 |
Serial |
7651 |
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| Permanent link to this record |
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| |
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Author |
Sillanpää, M.; Hillamo, R.; Saarikoski, S.; Frey, A.; Pennanen, A.; Makkonen, U.; Spolnik, Z.; Van Grieken, R.; Braniš, M.; Brunekreef, B.; Chalbot, M.-C.; Kuhlbusch, T.; Sunyer, J.; Kerminen, V.-M.; Kulmala, M.; Salonen, R.O. |
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Title |
Chemical composition and mass closure of particulate matter at six urban sites in Europe |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Atmospheric environment : an international journal |
Abbreviated Journal |
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| |
Volume |
40 |
Issue |
suppl.2 |
Pages |
S212-S223 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000242023200005 |
Publication Date |
2006-08-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1352-2310 |
ISBN |
|
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:61917 |
Serial |
7650 |
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| Permanent link to this record |
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Author |
Sieger, M.; Pahlke, P.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Ottolinger, R.; Haenisch, J.; Holzapfel, B.; Usoskin, A.; Kursumovic, A.; MacManus-Driscoll, J.L.; Stafford, B.H.; Bauer, M.; Nielsch, K.; Schultz, L.; Huehne, R. |
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| |
Title |
Tailoring microstructure and superconducting properties in thick BaHfO3 and Ba2YNb/Ta)O-6 doped YBCO films on technical templates |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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| |
Volume |
27 |
Issue |
4 |
Pages |
6601407 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The current transport capability of YBa2Cu3O7-x(YBCO) based coated conductors (CCs) is mainly limited by two features: the grain boundaries of the used textured template, which are transferred into the superconducting film through the buffer layers, and the ability to pin magnetic flux lines by incorporation of defined defects in the crystal lattice. By adjusting the deposition conditions, it is possible to tailor the pinning landscape in doped YBCO in order to meet specific working conditions (T, B) for CC applications. To study these effects, we deposited YBCO layers with a thickness of about 1-2 mu m using pulsed laser deposition on buffered rolling-assisted biaxially textured Ni-W substrates as well as on metal tapes having either an ion-beam-texturedYSZbuffer or an MgO layer textured by inclined substrate deposition. BaHfO3 and the mixed double-perovskite Ba2Y(Nb/Ta)O-6 were incorporated as artificial pinning centers in these YBCO layers. X-ray diffraction confirmed the epitaxial growth of the superconductor on these templates as well as the biaxially oriented incorporation of the secondary phase additions in the YBCO matrix. A critical current density J(c) of more than 2 MA/cm(2) was achieved at 77 K in self-field for 1-2 mu m thick films. Detailed TEM (transmission electron microscopy) studies revealed that the structure of the secondary phase can be tuned, forming c-axis aligned nanocolumns, ab-oriented platelets, or a combination of both. Transport measurements show that the J(c) anisotropy in magnetic fields is reduced by doping and the peak in the J(c) (theta) curves can be correlated to the microstructural features. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000394588100001 |
Publication Date |
2016-12-24 |
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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 |
1051-8223 |
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 |
12 |
Open Access |
OpenAccess |
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Notes |
; This work was supported by EUROTAPES, a collaborative project funded by the European Commission's Seventh Framework Program (FP7/2007-2013) under Grant Agreement no. 280432. ; |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:141961 |
Serial |
4693 |
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| Permanent link to this record |
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Author |
Sholkovitz, E.R.; Van Grieken, R.; Eisma, D. |
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Title |
The major-element composition of suspended matter in the Zaire river and estuary |
Type |
A1 Journal article |
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Year |
1978 |
Publication |
Netherlands journal of sea research |
Abbreviated Journal |
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Volume |
12 |
Issue |
3/4 |
Pages |
407-413 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2003-08-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0077-7579; 1873-1406 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116608 |
Serial |
8195 |
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| Permanent link to this record |
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Author |
Shi, X.; Ronsse, F.; Roegiers, J.; Pieters, J.G. |
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Title |
3D Eulerian-Eulerian modeling of a screw reactor for biomass thermochemical conversion. Part 1: solids flow dynamics and back-mixing |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Renewable energy |
Abbreviated Journal |
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Volume |
143 |
Issue |
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Pages |
1465-1476 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Three-dimensional (3D) computational fluid dynamics (CFD) simulations were performed to study solids flow dynamics and solids back-mixing behavior in a screw reactor (designed for thermal conversion of dry biomass particles) based on the Eulerian-Eulerian method. Simulation results were compared against experimental data with respect to filling degree and mean residence time of particles. The mean deviations for filling degree and for mean residence time between simulation and experiment were about 0.01 and 11.4 s, respectively, which shows that the model is reasonably accurate in predicting solids flow behavior in the screw reactor. The solids flow dynamics inside the reactor were discussed. The solids residence time distribution (RTD) was calculated and the degree of solids back-mixing in the forward transportation direction of the reactor was analyzed. It was found that solids being flung over the shaft and solids back-leakage, resulting from the low solids forward transportation velocity at the clearance between the flight and the bottom shell of the screw reactor, were responsible for solids back-mixing. The degree of solids back-mixing can be reduced at higher screw rotating speeds when keeping inlet mass flow rate of solids constant. (C) 2019 Elsevier Ltd. All rights reserved. |
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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 |
000482686100039 |
Publication Date |
2019-05-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0960-1481 |
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:162757 |
Serial |
7384 |
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| Permanent link to this record |
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Author |
Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M. |
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Title |
Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review materials |
Abbreviated Journal |
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| |
Volume |
5 |
Issue |
4 |
Pages |
045401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Vibrational thermal properties of CuZn2InTe4, AgZn2InTe4, and Cu2CdSnTe4, derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Gruneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5-4 W/mK at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. This, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity. |
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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 |
000655931400005 |
Publication Date |
2021-04-01 |
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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 |
2475-9953 |
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 |
Not_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:179140 |
Serial |
7045 |
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| Permanent link to this record |
