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Author |
Chiapperino, M.A.; Bia, P.; Caratelli, D.; Gielis, J.; Mescia, L.; Dermol-Cerne, J.; Miklavcic, D. |
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Title |
Nonlinear dispersive model of electroporation for irregular nucleated cells |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Bioelectromagnetics |
Abbreviated Journal |
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Volume |
40 |
Issue |
5 |
Pages |
331-342 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work, the electroporation phenomenon induced by pulsed electric field on different nucleated biological cells is studied. A nonlinear, non-local, dispersive, and space-time multiphysics model based on Maxwell's and asymptotic Smoluchowski's equations has been developed to calculate the transmembrane voltage and pore density on both plasma and nuclear membrane perimeters. The irregular cell shape has been modeled by incorporating in the numerical algorithm the analytical functions pertaining to Gielis curves. The dielectric dispersion of the cell media has been modeled considering the multi-relaxation Debye-based relationship. Two different irregular nucleated cells have been investigated and their response has been studied applying both the dispersive and non-dispersive models. By a comparison of the obtained results, differences can be highlighted confirming the need to make use of the dispersive model to effectively investigate the cell response in terms of transmembrane voltages, pore densities, and electroporation opening angle, especially when irregular cell shapes and short electric pulses are considered. Bioelectromagnetics. 2019;40:331-342. (c) 2019 Wiley Periodicals, Inc. |
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Wos |
000472568200004 |
Publication Date |
2019-06-10 |
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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 |
0197-8462 |
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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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no |
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Call Number |
UA @ admin @ c:irua:161282 |
Serial |
8315 |
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Author |
Su, Y.; Prestat, E.; Hu, C.; Puthiyapura, V.K.; Neek-Amal, M.; Xiao, H.; Huang, K.; Kravets, V.G.; Haigh, S.J.; Hardacre, C.; Peeters, F.M.; Nair, R.R. |
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Title |
Self-limiting growth of two-dimensional palladium between graphene oxide layers |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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Volume |
19 |
Issue |
7 |
Pages |
4678-4683 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The ability of different materials to display self-limiting growth has recently attracted an enormous amount of attention because of the importance of nanoscale materials in applications for catalysis, energy conversion, (opto)-electronics, and so forth. Here, we show that the electrochemical deposition of palladium (Pd) between graphene oxide (GO) sheets result in the self-limiting growth of 5-nm-thick Pd nanosheets. The self-limiting growth is found to be a consequence of the strong interaction of Pd with the confining GO sheets, which results in the bulk growth of Pd being energetically unfavorable for larger thicknesses. Furthermore, we have successfully carried out liquid exfoliation of the resulting Pd-GO laminates to isolate Pd nanosheets and have demonstrated their high efficiency in continuous flow catalysis and electrocatalysis. |
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Wos |
000475533900060 |
Publication Date |
2019-06-07 |
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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 |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.712 |
Times cited |
17 |
Open Access |
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Notes |
; This work was supported by the Royal Society, Engineering and Physical Sciences Research Council, U.K. (EP/S019367/1, EP/P025021/1, EP/K016946/1, and EP/ P009050/1), Graphene Flagship, and European Research Council (contract 679689 and EvoluTEM). We thank Dr. Sheng Zheng and Dr. K. S. Vasu at the University of Manchester for assisting us with sample preparation and characterization. The authors acknowledge the use of the facilities at the Henry Royce Institute for Advanced Materials and associated support services. V.K.P. and C.H. are grateful for the resources and support provided via membership in the UK Catalysis Hub Consortium and funding by EPSRC (Portfolio grants EP/K014706/2, EP/K014668/1, EP/K014854/1, EP/K014714/1, and EP/I019693/1). F.M.P. and M.N.-A. acknowledge the support from the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 12.712 |
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Call Number |
UA @ admin @ c:irua:161245 |
Serial |
5426 |
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Author |
Zankowski, S.P.; Van Hoecke, L.; Mattelaer, F.; de Raedt, M.; Richard, O.; Detavernier, C.; Vereecken, P.M. |
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Title |
Redox layer deposition of thin films of MnO2 on nanostructured substrates from aqueous solutions |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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Volume |
31 |
Issue |
13 |
Pages |
4805-4816 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In this work, we report a new method for depositing thin films of MnO2 on planar and complex nanostructured surfaces, with high precision and conformality. The method is based on repeating cycles of adsorption of an unsaturated alcohol on a surface, followed by its oxidation with aqueous KMnO4 and formation of thin, solid MnO2. The amount of manganese oxide formed in each cycle is limited by the quantity of the adsorbed alcohol; thus, the growth exhibits the self-limiting characteristics of atomic layer deposition (ALD). Contrary to the typical ALD, however, the new redox layer deposition is performed in air, at room temperature, using common chemicals and simple laboratory glassware, which greatly reduces its cost and complexity. We also demonstrate application of the method for the fabrication of a nanostructured MnO2/Ni electrode, which was not possible with thermal ALD because of the rapid decomposition of the gaseous precursor on the high surface-area substrate. Thanks to its simplicity, the conformal deposition of MnO2 can be easily upscaled and thus exploited for its numerous (electro)chemical applications. |
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Wos |
000475408400021 |
Publication Date |
2019-06-12 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
ISBN |
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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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Notes |
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no |
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Call Number |
UA @ admin @ c:irua:161225 |
Serial |
8465 |
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Author |
Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J. |
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Title |
Stabilisation of magnetic ordering in La3Ni2-xCuxB'O9(B'=Sb,Ta,Nb) by the introduction of Cu2+ |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
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Volume |
276 |
Issue |
276 |
Pages |
164-172 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively. |
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Wos |
000473372400023 |
Publication Date |
2019-05-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-4596 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.299 |
Times cited |
2 |
Open Access |
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Notes |
; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ; |
Approved |
Most recent IF: 2.299 |
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Call Number |
UA @ admin @ c:irua:161199 |
Serial |
5396 |
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Author |
Zhang, Z.; Rosalie, J.M.; Medhekar, N.V.; Bourgeois, L. |
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Title |
Resolving the FCC/HCP interfaces of the \gamma'(Ag2Al) precipitate phase in aluminium |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Acta materialia |
Abbreviated Journal |
Acta Mater |
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Volume |
174 |
Issue |
174 |
Pages |
116-130 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The gamma'(Ag2Al) phase in the Al-Ag alloy system has served as a textbook example for understanding phase transformations, precipitating hexagonal close-packed (HCP) crystals in the face-centred cubic (FCC) aluminium matrix. The gamma' precipitates display fully coherent interfaces at their broad facets and semicoherent interfaces at their edges. Shockley partial dislocations are expected to decorate the semicoherent interface due to the FCC-HCP structural transformation. Determining the exact locations and core structures of interfacial dislocations, however, remains challenging. In this study, we used aberration-corrected scanning transmission electron microscopy and atomistic simulations to re-visit this classical system. We characterised and explained the Ag segregation at coherent interfaces in the early stage of precipitation. For semicoherent interfaces, interfacial dislocations and reconstructions were revealed by bridging advanced microstructure characterisation and atomistic simulations. In particular, we discovered a new FCC/HCP interfacial structure that displays a unique combination of Shockley partial, Lomer-Cottrell and Hirth dislocations that evolve from the known interfacial structure purely composed by Shockley partial dislocations. Our findings show that the FCC-HCP transformation is more complex than hitherto considered, due to the interplay between structure and composition confined at interfaces. (C) 2019 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
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Wos |
000474501300011 |
Publication Date |
2019-05-18 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
1359-6454 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.301 |
Times cited |
3 |
Open Access |
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Notes |
; The authors acknowledge funding from the Australian Research Council (LE0454166, LE110100223), the Victorian State Government and Monash University for instrumentation, and use of the facilities within the Monash Centre for Electron Microscopy. LB and NM acknowledge the financial support of the Australian Research Council (DP150100558). The authors also gratefully acknowledge the computational support from Monash Advanced Research Computing Hybrid, the National Computational Infrastructure and Pawsey Supercomputing Centre. ZZ is thankful to Monash University for a Monash Graduate Scholarship, a Monash International Postgraduate Research Scholarship and a Monash Centre for Electron Microscopy Postgraduate Scholarship. ZZ is indebted to Matthew Weyland for his training in aberration-corrected electron microscopy, Scott Findlay for his help on image simulations, Xiang Gao for alloy casting and Ian Polmear for discussions. ; |
Approved |
Most recent IF: 5.301 |
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Call Number |
UA @ admin @ c:irua:161192 |
Serial |
5395 |
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Author |
Wang, J.; Shin, Y.; Gauquelin, N.; Yang, Y.; Lee, C.; Jannis, D.; Verbeeck, J.; Rondinelli, J.M.; May, S.J. |
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Title |
Physical properties of epitaxial SrMnO2.5−δFγoxyfluoride films |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
31 |
Issue |
36 |
Pages |
365602 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Recently, topotactic fluorination has become an alternative way of doping epitaxial perovskite oxides through anion substitution to engineer their electronic properties instead of the more commonly used cation substitution. In this work, epitaxial oxyfluoride SrMnO2.5−δ F γ films were synthesized via topotactic fluorination of SrMnO2.5 films using polytetrafluoroethylene as the fluorine source. Oxidized SrMnO3 films were also prepared for comparison with the fluorinated samples. The F content, probed by x-ray photoemission spectroscopy, was systematically controlled by adjusting fluorination conditions. Electronic transport measurements reveal that increased F content (up to γ = 0.14) systematically increases the electrical resistivity, despite the nominal electron-doping induced by F substitution for O in these films. In contrast, oxidized SrMnO3 exhibits a decreased resistivity and conduction activation energy. A blue-shift of optical absorption features occurs with increasing F content. Density functional theory calculations indicate that F acts as a scattering center for electronic transport, controls the observed weak ferromagnetic behavior of the films, and reduces the inter-band optical transitions in the manganite films. These results stand in contrast to bulk electron-doped La1−x Ce x MnO3, illustrating how aliovalent anionic substitutions can yield physical behavior distinct from A-site substituted perovskites with the same nominal B-site oxidation states. |
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Wos |
000472232000002 |
Publication Date |
2019-09-11 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
5 |
Open Access |
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Notes |
Work at Drexel was supported by the National Science Foundation (NSF), grant number CMMI-1562223. Thin film synthesis utilized deposition instrumentation acquired through an Army Research Office DURIP grant (W911NF-14-1-0493). Y.S and J.M.R. were supported by NSF (Grant No. DMR-1454688). Calculations were performed using the QUEST HPC Facility at Northwestern, the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by NSF Grant No. ACI-1053575, and the Center for Nanoscale Materials (Carbon Cluster). Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. J.V. and N. G. acknowledge funding from a GOA project “Solarpaint” of the University of Antwerp. D.J. acknowledges funding from FWO project G093417N from the Flemish fund for scientific research. |
Approved |
Most recent IF: 2.649 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:161174 |
Serial |
5293 |
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Author |
Cagnetta, C.; Saerens, B.; Meerburg, F.A.; Decru, S.O.; Broeders, E.; Menkveld, W.; Vandekerckhove, T.G.L.; De Vrieze, J.; Vlaeminck, S.E.; Verliefde, A.R.D.; De Gusseme, B.; Weemaes, M.; Rabaey, K. |
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Title |
High-rate activated sludge systems combined with dissolved air flotation enable effective organics removal and recovery |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Bioresource technology |
Abbreviated Journal |
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Volume |
291 |
Issue |
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Pages |
121833 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
High-rate activated sludge (HRAS) systems typically generate diluted sludge which requires further thickening prior to anaerobic digestion (AD), besides the need to add considerable coagulant and flocculant for the solids separation. As an alternative to conventional gravitational settling, a dissolved air flotation (DAF) unit was coupled to a HRAS system or a high-rate contact stabilization (HiCS) system. The HRAS-DAF system allowed up to 78% removal of the influent solids, and the HiCS-DAF 67%. Both were within the range of values typically obtained for HRAS-settler systems, albeit at a lower chemical requirement. The separated sludge had a high concentration of up to 47 g COD L−1, suppressing the need of further thickening before AD. Methanation tests showed a biogas yield of up to 68% on a COD basis. The use of a DAF separation system can thus enable direct organics removal at high sludge concentration and with low chemical needs. |
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Wos |
000480326200048 |
Publication Date |
2019-07-17 |
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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 |
0960-8524 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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no |
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Call Number |
UA @ admin @ c:irua:161098 |
Serial |
8036 |
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Author |
Muys, M. |
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Title |
Microbial protein as sustainable feed and food ingredient : production and nutritional quality of phototrophs and aerobic heterotrophs |
Type |
Doctoral thesis |
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Year |
2019 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
262 p. |
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Keywords |
Doctoral thesis; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In iets meer dan 30 jaar moeten we tot 50% meer eiwit produceren, terwijl onze conventionele lineaire voedselproductieketen reeds de grenzen van duurzaamheid overschrijdt. Microbieel eiwit (MP), de eiwitrijke biomassa van micro-organismen, werd onderzocht als nieuw voeder en voedselingrediënt in een circulaire eiwitproductieketen. MP-productie kan gebaseerd zijn op primaire grondstoffen om zo de inefficiënte stappen in de huidige eiwitproductie over te slaan, of de productie kan gebaseerd zijn op secundaire grondstoffen afkomstig van de verliezen in de conventionele productieketen (bijvoorbeeld afvalwater). Zowel indirecte als directe strategiën voor nutriëntenherwinning kunnen geïdentificeerd worden. Indirecte nutriëntenherwinning werd onderzocht door struviet toe te passen als fosfor- en stikstofbron voor MP-productie. Struviet, een herwinningsproduct in de afvalwaterzuivering, bleek een hoge zuiverheidsgraad te hebben waardoor het een uitstekende selectieve barrière vormt tussen afvalstroom en MP productie. Oplossingssnelheden en MP groei-experimenten toonden aan dat struviet gemakkelijk gedoseerd kan worden in functie van de microbiële nutriëntenbehoeftes, waarnaast problemen vermeden worden gerelateerd aan de turbiditeit van nevenstromen, wat de productie van fototrofe MP mogelijk maakt. Daarnaast werd ook directe nutriëntenherwinning onderzocht. Hierbij werden de voedingswaarde en veiligheid geanalyseerd van biomassa bestaande uit aerobe heterotrofe bacteriën (AHB) afkomstig van effluentzuivering van 25 bedrijven in de voedings- en drankensector. Verder werd ook de temporele variabiliteit in kaart gebracht. Er werd een veelbelovend eiwitgehalte geobserveerd waarvan de variabiliteit aanzienlijke was. Verder werd aangetoond dat het eiwitgehalte positief gecorreleerd was met stikstofbelasting en negatief met slibverblijftijd, wat een indicatie is dat de implementatie van een geoptimaliseerd productieproces, de biomassakwaliteit gevoelig kan verhogen. Bovendien was de veiligheid als veevoeder gegarandeerd op vlak van de meeste contaminanten. In het daarop volgende hoofdstuk werd de variabiliteit in voedingswaarde en veiligheid bestudeerd van commerciële fototrofe MP (de microalgen Chlorella en Spirulina), gekweekt op primaire grondstoffen. De waargenomen variabiliteit in voedingswaarde vereist verdere optimalisatie van het productieproces. Er werd ook waargenomen dat een hoog eiwitgehalte geen hoge totale voedingswaarde impliceert, omdat de verteerbaarheid en de eiwitkwaliteit nog steeds ongunstig kunnen zijn. Op basis van gemeten contaminanten geeft een veilige consumptiedosis aan dat microalgen perfect kunnen worden geconsumeerd als volwaardige eiwitbron in plaats van als supplement, hun huidige hoofdtoepassing. In een laatste experimenteel hoofdstuk werd onderzocht hoe de variabiliteit in biomassakwaliteit van microalgen kan worden gereduceerd en hoe een stabiele, hoogwaardige biomassaproductie kan worden bekomen. De invloed van oogsttijd, operationele modus en fotoperiode werd bepaald op de productiviteit van biomassa, eiwit en essentiële aminozuren en er werden optimale productieparameters geïdentificeerd. Samengevat is MP-productie op basis van indirecte en directe nutriëntenherwinning veelbelovend. Verdere technologische ontwikkelingen en het verhogen van bewustwording en sociale acceptatie, moeten een verdere introductie van MP in de voeder- en voedingsmarkt faciliteren. Hier kan MP een belangrijke oplossing vertegenwoordigen om de exponentieel groeiende wereldbevolking op een duurzame manier te voeden. |
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UA library record |
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no |
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Call Number |
UA @ admin @ c:irua:160717 |
Serial |
8244 |
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Author |
Scarabelli, L.; Schumacher, M.; Jimenez de Aberasturi, D.; Merkl, J.‐P.; Henriksen‐Lacey, M.; Milagres de Oliveira, T.; Janschel, M.; Schmidtke, C.; Bals, S.; Weller, H.; Liz‐Marzán, L.M. |
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Title |
Encapsulation of Noble Metal Nanoparticles through Seeded Emulsion Polymerization as Highly Stable Plasmonic Systems |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Advanced functional materials |
Abbreviated Journal |
Adv Funct Mater |
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Volume |
29 |
Issue |
29 |
Pages |
1809071 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The implementation of plasmonic nanoparticles in vivo remains hindered by important limitations such as biocompatibility, solubility in biological fluids, and physiological stability. A general and versatile protocol is presented, based on seeded emulsion polymerization, for the controlled encapsulation of gold and silver nanoparticles. This procedure enables the encapsulation of single nanoparticles as well as nanoparticle clusters inside a protecting polymer shell. Specifically, the efficient coating of nanoparticles of both metals is demonstrated, with final dimensions ranging between 50 and 200 nm, i.e., sizes of interest for bio-applications. Such hybrid nanocomposites display extraordinary stability in high ionic strength and oxidizing environments, along with high cellular uptake, and low cytotoxicity. Overall, the prepared nanostructures are promising candidates for plasmonic applications under biologically relevant conditions. |
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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 |
000467109100024 |
Publication Date |
2019-02-11 |
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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 |
1616-301X |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
12.124 |
Times cited |
19 |
Open Access |
OpenAccess |
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| |
Notes |
L.S. and M.S. contributed equally to this work. This work was supported by the Spanish MINECO (Grant MAT2017-86659-R), by the German Research Foundation (DFG, Grant LA 2901/1-1) and by the European Research Council (Grant 335078 COLOURATOM to S.B). The authors acknowledge funding from the European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M). L.S. acknowledges funding from the American-Italian Cancer Foundation through a Post-Doctoral Research Fellowship. D.J.d.A. thanks MINECO for a Juan de la Cierva fellowship (IJCI-2015-24264). J.P.M. was financed by Verband der Chemischen Industrie e.V. (VCI). The authors thank Dr. Artur Feld, Dr. Andreas Kornowski and Stefan Werner (Institute of Physical Chemistry, University of Hamburg) for their support. |
Approved |
Most recent IF: 12.124 |
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| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:160710 |
Serial |
5190 |
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| Permanent link to this record |
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Author |
Álvarez-Martín, A.; Sanchez-Martin, M.J.; Ordax, J.M.; Marin-Benito, J.M.; Sonia Rodriguez-Cruz, M. |
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| |
Title |
Leaching of two fungicides in spent mushroom substrate amended soil : I influence of amendment rate, fungicide ageing and flow condition |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
The science of the total environment |
Abbreviated Journal |
|
|
| |
Volume |
584 |
Issue |
|
Pages |
828-837 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
A study has been conducted on the leaching of two fungicides, tebuconazole and cymoxanil, in a soil amended with spent mushroom substrate (SMS), with an evaluation of how different factors influence this process.The objective was based on the potential use of SMS as a biosorbent for immobilizing pesticides in vulnerable soils, and the need to know how it could affect the subsequent transport of these retained compounds. Breakthrough curves (BTCs) for C-14-fungicides, non-incubated and incubated over 30 days, were obtained in columns packed with an unamended soil (S), and this soil amended with SMS at rates of 5% (S + SMS5) and 50% (S + SMS50) under saturated and saturated-unsaturated flows. The highest leaching of tebuconazole (> 50% of the total C-14 added) was found in S when a saturated water flow was applied to the column, but the percentage of leached fungidde decreased when a saturated-unsaturated flow was applied in both SMS-amended soils. Also a significant decrease in teaching was observed for tebuconazole after incubation in the column, especially in S + SMS50 when both flows were applied. Furthermore, cymoxanil leaching was complete in S and S + SMS when a saturated flow was applied, and maximum peak concentrations were reached at 1 pore volume (PV), although BTCs showed peaks with lower concentrations in S + SMS. The amounts of cymoxanil retained only increased in S + SMS when a saturated-unsaturated flow was applied. A more relevant effect of SMS for reducing the leaching of fungidde was observed when cymoxanil was previously incubated in the column, although mineralization was enhanced in this case. These results are of interest for extending SMS application on the control of the leaching of fungicides with different physicochemical characteristics after different ageing times in the soil and water flow conditions applied. (C) 2017 Elsevier B.V. All rights reserved. |
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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 |
000399358500080 |
Publication Date |
2017-01-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0048-9697; 1879-1026 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:160643 |
Serial |
8168 |
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| Permanent link to this record |
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Author |
Cristale, J.; Álvarez-Martín, A.; Rodriguez-Cruz, S.; Sanchez-Martin, M.J.; Lacorte, S. |
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Title |
Sorption and desorption of organophosphate esters with different hydrophobicity by soils |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental Science and Pollution Research |
Abbreviated Journal |
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|
| |
Volume |
24 |
Issue |
36 |
Pages |
27870-27878 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Organophosphate esters (OPEs) are ubiquitous contaminants with potentially hazardous effects on both the environment and human health. Knowledge about the soil sorption-desorption process of organic chemicals is important in order to understand their fate, mobility, and bioavailability, enabling an estimation to be made of possible risks to the environment and biota. The aim of this study was to use the batch equilibrium technique to evaluate the sorption-desorption behavior of seven OPEs (TCEP, TCPP, TBEP, TDCP, TBP, TPhP, and EHDP) in soils with distinctive characteristics (two unamended soils and a soil amended with sewage sludge). The equilibrium concentrations of the OPEs were determined by high performance liquid chromatography coupled to a triple quadrupole mass spectrometer (HPLC-MS/MS). All the compounds were sorbed by the soils, and soil organic carbon (OC) played an important role in this process. The sorption of the most soluble OPEs (TCEP, TCPP, and TBEP) depended on soil OC content, although desorption was 58.1%. The less water-soluble OPEs (TDCP, TBP, TPhP, and EHDP) recorded total sorption (100% for TPhP and EHDP) or very high sorption (34.9%) by all the soils and were not desorbed, which could be explained by their highly hydrophobic nature, as indicated by the logarithmic octanol/water partition coefficient (K-ow) values higher than 3.8, resulting in a high affinity for soil OC. The results of the sorption-desorption of the OPEs by soils with different characteristics highlighted the influence of these compounds' physicochemical properties and the content and nature of soil OC in this process. |
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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 |
000417874400025 |
Publication Date |
2017-10-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0944-1344; 1614-7499 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
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:160642 |
Serial |
8558 |
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| Permanent link to this record |
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Author |
Grunert, O.; Robles-Aguilar, A.A.; Hernandez-Sanabria, E.; Schrey, S.D.; Reheul, D.; Van Labeke, M.-C.; Vlaeminck, S.E.; Vanderkerckhove, T.G.L.; Mysara, M.; Monsieurs, P.; Temperton, V.M.; Boon, N.; Jablonowski, N.D. |
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Title |
Tomato plants rather than fertilizers drive microbial community structure in horticultural growing media |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Scientific reports |
Abbreviated Journal |
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| |
Volume |
9 |
Issue |
|
Pages |
9561 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Synthetic fertilizer production is associated with a high environmental footprint, as compounds typically dissolve rapidly leaching emissions to the atmosphere or surface waters. We tested two recovered nutrients with slower release patterns, as promising alternatives for synthetic fertilizers: struvite and a commercially available organic fertilizer. Using these fertilizers as nitrogen source, we conducted a rhizotron experiment to test their effect on plant performance and nutrient recovery in juvenile tomato plants. Plant performance was significantly improved when organic fertilizer was provided, promoting higher shoot biomass. Since the microbial community influences plant nitrogen availability, we characterized the root-associated microbial community structure and functionality. Analyses revealed distinct root microbial community structure when different fertilizers were supplied. However, plant presence significantly increased the similarity of the microbial community over time, regardless of fertilization. Additionally, the presence of the plant significantly reduced the potential ammonia oxidation rates, implying a possible role of the rhizosheath microbiome or nitrification inhibition by the plant. Our results indicate that nitrifying community members are impacted by the type of fertilizer used, while tomato plants influenced the potential ammonia-oxidizing activity of nitrogen-related rhizospheric microbial communities. These novel insights on interactions between recovered fertilizers, plant and associated microbes can contribute to develop sustainable crop production systems. |
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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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Language |
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Wos |
000473418000003 |
Publication Date |
2019-07-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:160582 |
Serial |
8674 |
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| Permanent link to this record |
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Author |
Asapu, R.; Claes, N.; Ciocarlan, R.-G.; Minjauw, M.; Detavernier, C.; Cool, P.; Bals, S.; Verbruggen, S.W. |
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Title |
Electron Transfer and Near-Field Mechanisms in Plasmonic Gold-Nanoparticle-Modified TiO2Photocatalytic Systems |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
ACS Appl. Nano Mater. |
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Volume |
2 |
Issue |
2 |
Pages |
4067-4074 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The major mechanism responsible for plasmonic enhancement of titanium dioxide photocatalysis using gold nanoparticles is still under contention. This work introduces an experimental strategy to disentangle the significance of the charge transfer and near-field mechanisms in plasmonic photocatalysis. By controlling the thickness and conductive nature of a nanoparticle shell that acts as a spacer layer separating the plasmonic metal core from the TiO2 surface, field enhancement or charge transfer effects can be selectively repressed or evoked. Layer-by-layer and in situ polymerization methods are used to synthesize gold core–polymer shell nanoparticles with shell thickness control up to the sub-nanometer level. Detailed optical and electrical characterization supported by near-field simulation models corroborate the trends in photocatalytic activity of the different systems. This approach mainly points at an important contribution of the enhanced near field. |
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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 |
000477917700006 |
Publication Date |
2019-05-31 |
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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 |
2574-0970 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
32 |
Open Access |
OpenAccess |
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Notes |
This work was supported by Research Foundation Flanders (FWO). P.C. and R-G.C. acknowledge financial support from FWO (Project No. G038215N). N.C. and S.B. acknowledge financial support from the European Research Council (ERC Starting Grant No. 335078-COLOURATOM). |
Approved |
Most recent IF: NA |
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| |
Call Number |
EMAT @ emat @UA @ admin @ c:irua:160579 |
Serial |
5184 |
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| Permanent link to this record |
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Author |
Conings, B.; Babayigit, A.; Klug, M.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J.T.-W.; Verbeeck, J.; Boyen, H.-G.; Snaith, H. |
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Title |
Getting rid of anti-solvents: gas quenching for high performance perovskite solar cells |
Type |
P1 Proceeding |
| |
Year |
2018 |
Publication |
2018 Ieee 7th World Conference On Photovoltaic Energy Conversion (wcpec)(a Joint Conference Of 45th Ieee Pvsc, 28th Pvsec & 34th Eu Pvsec) |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
As the field of perovskite optoelectronics developed, a plethora of strategies has arisen to control their electronic and morphological characteristics for the purpose of producing high efficiency devices. Unfortunately, despite this wealth of deposition approaches, the community experiences a great deal of irreproducibility between different laboratories, batches and preparation methods. Aiming to address this issue, we developed a simple deposition method based on gas quenching that yields smooth films for a wide range of perovskite compositions, in single, double, triple and quadruple cation varieties, and produces planar heterojunction devices with competitive efficiencies, so far up to 20%. |
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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 |
000469200401163 |
Publication Date |
2018-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-5386-8529-7 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160468 |
Serial |
5365 |
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| Permanent link to this record |
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Author |
Gonzalez-Rubio, G.; Kumar, V.; Llombart, P.; Diaz-Nunez, P.; Bladt, E.; Altantzis, T.; Bals, S.; Pena-Rodriguez, O.; Noya, E.G.; MacDowell, L.G.; Guerrero-Martinez, A.; Liz-Marzan, L.M. |
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Title |
Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
13 |
Issue |
13 |
Pages |
4424-4435 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
One of the major difficulties hindering the widespread application of colloidal anisotropic plasmonic nanoparticles is the limited robustness and reproducibility of multistep synthetic methods. We demonstrate herein that the reproducibility and reliability of colloidal gold nanorod (AuNR) synthesis can be greatly improved by disconnecting the symmetry-breaking event from the seeded growth process. We have used a modified silver-assisted seeded growth method in the presence of the surfactant hexadecyltrimethylammonium bromide and n-decanol as a co-surfactant to prepare small AuNRs in high yield, which were then used as seeds for the growth of high quality AuNR colloids. Whereas the use of n-decanol provides a more-rigid micellar system, the growth on anisotropic seeds avoids sources of irreproducibility during the symmetry breaking step, yielding uniform AuNR colloids with narrow plasmon bands, ranging from 600 to 1270 nm, and allowing the fine-tuning of the final dimensions. This method provides a robust route for the preparation of high quality AuNR colloids with tunable morphology, size, and optical response in a reproducible and scalable manner. |
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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 |
000466052900067 |
Publication Date |
2019-04-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.942 |
Times cited |
100 |
Open Access |
OpenAccess |
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Notes |
; This work has been funded by the Spanish MINECO (grant nos. FIS2017-89361-C3-2-P and MAT2017-86659-R), the Madrid Regional Government (grant no. P2018/NMT-4389) and the Complutense University of Madrid (grant no. PR75/18-21616). Funding is acknowledged from the European Commission (grant no. EUSMI 731019). G.G.-R. acknowledges receipt of FPI Fellowship from the Spanish MINECO. E.B. and T.A. acknowledge postdoctoral grants from the Research Foundation Flanders (FWO). The authors are indebted to Profs. Justin Gooding, Watson Loh, Nicholas Kotov, Deqing Zhang, Mihaela Delcea, Maurizio Prato, and Krishna Ganesh, for providing milli-Q water samples. ; |
Approved |
Most recent IF: 13.942 |
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Call Number |
UA @ admin @ c:irua:160417 |
Serial |
5246 |
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| Permanent link to this record |
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Author |
Monico, L.; Sorace, L.; Cotte, M.; de Nolf, W.; Janssens, K.; Romani, A.; Miliani, C. |
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Title |
Disclosing the binding medium effects and the pigment solubility in the (photo)reduction process of chrome yellows (PbCrO4/PbCr1-xSxO4) |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS Omega |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
4 |
Pages |
6607-6619 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The darkening due to chemical alteration of chrome yellows (PbCrO4/PbCr1-xSxO4) is a phenomenon threatening a large number of 19th-20th century paintings, including the Amsterdam Sunflowers by Vincent van Gogh. Our earlier studies have proven that the alteration is due to a Cr(VI) -> Cr(III) reduction with Cr(V)-species that are formed as long-lived intermediates and that bCr(1-x)S(x)O(4) (0 < x <= 0.8) types undergo reduction more readily than monoclinic, S-free, PbCrO4. In this context, there is still lack of knowledge about the effects of the chemical properties of the binding medium (i.e., chemical composition and drying process) and the solubility of chrome yellows on the overall reduction pathways. Here, we study a series of naturally and photochemically aged mock-up paints prepared by mixing chrome yellow powders (PbCrO4/PbCr0.2S0.8O4) with either linseed oil or a water-based acrylic emulsion as the binding medium. Equivalent paints made up of the highly soluble K2CrO4 were also investigated and used as benchmarks to provide a more in-depth understanding of the influence of the solubility on the chromate reduction pathways in the two different binders. A combination of synchrotron radiation-based Cr K-edge X-ray absorption near edge structure (XANES), electron paramagnetic resonance (EPR), and UV-Visible spectroscopy measurements shows that: (1) the Cr(VI) reduction results from the interaction between the pigment and the binder; (2) the process is more significant in oil, giving rise to Cr(V)- and Cr(III)-species as well as oxidized organic compounds; (3) the lightfastness of the chrome yellow pigment is enhanced in the acrylic binder; and (4) the tendency toward chromium reduction increases with increasing solubility of the pigment. Based on our findings, we propose a scheme for the mechanism of the (photo)reduction process of chrome yellows in the oil and acrylic binder. Overall, our results provide new insights into the factors driving the degradation of lead chromate-based paints in artworks and contribute to the development of strategies for preserving them over time. |
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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 |
000466552500057 |
Publication Date |
2019-04-10 |
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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 |
2470-1343 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
4 |
Open Access |
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Notes |
; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement n. 654028), and by the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022, funded by MIUR and University of Perugia. The University of Perugia is also acknowledged for financial support under the program “Ricerca di Base 2017”. L.S. acknowledges the financial support of Ente CRF. For the beamtime grants received, we thank the ESRF (experiment no. HG64 and in-house beamtimes). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160416 |
Serial |
5577 |
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| Permanent link to this record |
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Author |
Gu, J.-G.; Zhang, Y.; Gao, M.-X.; Wang, H.-Y.; Zhang, Q.-Z.; Yi, L.; Jiang, W. |
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Title |
Enhancement of surface discharge in catalyst pores in dielectric barrier discharges |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
125 |
Issue |
15 |
Pages |
153303 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The generation of high-density plasmas on the surface of porous catalysts is very important for plasma catalysis, as it determines the active surface of the catalyst that is available for the reaction. In this work, we investigate the mechanism of surface and volume plasma streamer formation and propagation near micro-sized pores in dielectric barrier discharges operating in air at atmospheric pressure. A two-dimensional particle-in-cell/ Monte Carlo collision model is used to model the individual kinetic behavior of plasma species. Our calculations indicate that the surface discharge is enhanced on the surface of the catalyst pores compared with the microdischarge inside the catalyst pores. The reason is that the surface ionization wave induces surface charging along the catalyst pore sidewalls, leading to a strong electric field along the pore sidewalls, which in turn further enhances the surface discharge. Therefore, highly concentrated reactive species occur on the surfaces of the catalyst pores, indicating high-density plasmas on the surface of porous catalysts. Indeed, the maximum electron impact excitation and ionization rates occur on the pore surface, indicating the more pronounced production of excited state and electron-ion pairs on the pore surface than inside the pore, which may profoundly affect the plasma catalytic process. Published under license by AIP Publishing. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000465441200022 |
Publication Date |
2019-04-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:160397 |
Serial |
5273 |
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Author |
Kim, Y.; Che, F.; Jo, J.W.; Choi, J.; de Arquer, F.P.G.; Voznyy, O.; Sun, B.; Kim, J.; Choi, M.-J.; Quintero-Bermudez, R.; Fan, F.; Tan, C.S.; Bladt, E.; Walters, G.; Proppe, A.H.; Zou, C.; Yuan, H.; Bals, S.; Hofkens, J.; Roeffaers, M.B.J.; Hoogland, S.; Sargent, E.H. |
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Title |
A Facet-Specific Quantum Dot Passivation Strategy for Colloid Management and Efficient Infrared Photovoltaics |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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| |
Volume |
31 |
Issue |
31 |
Pages |
1805580 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Colloidal nanocrystals combine size- and facet-dependent properties with solution processing. They offer thus a compelling suite of materials for technological applications. Their size- and facet-tunable features are studied in synthesis; however, to exploit their features in optoelectronic devices, it will be essential to translate control over size and facets from the colloid all the way to the film. Larger-diameter colloidal quantum dots (CQDs) offer the attractive possibility of harvesting infrared (IR) solar energy beyond absorption of silicon photovoltaics. These CQDs exhibit facets (nonpolar (100)) undisplayed in small-diameter CQDs; and the materials chemistry of smaller nanocrystals fails consequently to translate to materials for the short-wavelength IR regime. A new colloidal management strategy targeting the passivation of both (100) and (111) facets is demonstrated using distinct choices of cations and anions. The approach leads to narrow-bandgap CQDs with impressive colloidal stability and photoluminescence quantum yield. Photophysical studies confirm a reduction both in Stokes shift (approximate to 47 meV) and Urbach tail (approximate to 29 meV). This approach provides a approximate to 50% increase in the power conversion efficiency of IR photovoltaics compared to controls, and a approximate to 70% external quantum efficiency at their excitonic peak. |
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Place of Publication |
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Wos |
000465600000001 |
Publication Date |
2019-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0935-9648 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
74 |
Open Access |
OpenAccess |
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Notes |
; Y.K., F.C., J.W.J., and J.C. contributed equally. This work was supported by King Abdullah University of Science and Technology (KAUST, Office of Sponsored Research (OSR), Award No. OSR-2017-CPF-3325) and Ontario Research Fund-Research Excellence program (ORF7-Ministry of Research and Innovation, Ontario Research Fund-Research Excellence Round 7). E.B. gratefully acknowledges financial support by the Research Foundation-Flanders (FWO Vlaanderen). Y.K. received financial support from the DGIST R&D Programs of the Ministry of Science, ICT & Future Planning of Korea (18-ET-01). M.B.J.R. and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grants nr ZW15_09-GOH6316 and G.098319N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). H.Y. acknowledges the Research Foundation-Flanders (FWO) for a postdoctoral fellowship. The authors thank L. Levina, R. Wolowiec, D. Kopilovic, and E. Palmiano for their technical help over the course of this research. ; |
Approved |
Most recent IF: 19.791 |
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Call Number |
UA @ admin @ c:irua:160392 |
Serial |
5239 |
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Author |
Jishkariani, D.; Elbert, K.C.; Wu, Y.; Lee, J.D.; Hermes, M.; Wang, D.; van Blaaderen, A.; Murray, C.B. |
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Title |
Nanocrystal Core Size and Shape Substitutional Doping and Underlying Crystalline Order in Nanocrystal Superlattices |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
13 |
Issue |
5 |
Pages |
5712-5719 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Substitutional doping is a potentially powerful technique to control the properties of nanocrystal (NC) superlattices (SLs). However, not every NC can be substituted into any lattice, as the NCs have to be close in size and shape, limiting the application of substitutional doping. Here we show that this limitation can be overcome by employing ligands of various size. We show that small NCs with long ligands can be substituted into SLs of big NCs with short ligands. Furthermore, we show that shape differences can also be overcome and that cubes can substitute spheres when both are coated with long ligands. Finally, we use the NC effective ligand size, softness, and effective overall size ratio to explain observed doping behaviors. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000469886300078 |
Publication Date |
2019-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by the University of Pennsylvania's NSF MRSEC under award no. DMR-112090 and the CNRS-UPENN-SOLVAY through the Complex Assemblies of Soft Matter Laboratory (COMPASS). K.C.E. acknowledges support from the NSF Graduate Research Fellowship Program under grant no. DGE-1321851. C.B.M. acknowledges the Richard Perry University Professorship at the University of Pennsylvania. D.W. and A.v.B. acknowledge partial funding from the European Research Council under the European Union's Seventh Framework Programme (FP -2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. M.H. was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The authors thank EM square in Utrecht University for the access to the microscopes. ; |
Approved |
Most recent IF: 13.942 |
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Call Number |
UA @ admin @ c:irua:160344 |
Serial |
5256 |
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| Permanent link to this record |
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Author |
Yagmurcukardes, M.; Ozen, S.; Iyikanat, F.; Peeters, F.M.; Sahin, H. |
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Title |
Raman fingerprint of stacking order in HfS2-Ca(OH)(2) heterobilayer |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
20 |
Pages |
205405 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using density functional theory-based first-principles calculations, we investigate the stacking order dependence of the electronic and vibrational properties of HfS2-Ca(OH)(2) heterobilayer structures. It is shown that while the different stacking types exhibit similar electronic and optical properties, they are distinguishable from each other in terms of their vibrational properties. Our findings on the vibrational properties are the following: (i) from the interlayer shear (SM) and layer breathing (LBM) modes we are able to deduce the AB' stacking order, (ii) in addition, the AB' stacking type can also be identified via the phonon softening of E-g(I) and A(g)(III) modes which harden in the other two stacking types, and (iii) importantly, the ultrahigh frequency regime possesses distinctive properties from which we can distinguish between all stacking types. Moreover, the differences in optical and vibrational properties of various stacking types are driven by two physical effects, induced biaxial strain on the layers and the layer-layer interaction. Our results reveal that with both the phonon frequencies and corresponding activities, the Raman spectrum possesses distinctive properties for monitoring the stacking type in novel vertical heterostructures constructed by alkaline-earth-metal hydroxides. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000467387800010 |
Publication Date |
2019-05-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the Project No. 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:160334 |
Serial |
5226 |
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Author |
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. |
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Title |
C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
123 |
Issue |
19 |
Pages |
12485-12499 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional polyaniline with structural unit C3N is an indirect semiconductor with 0.4 eV band gap, which has attracted a lot of interest because of its unusual electronic, optoelectronic, thermal, and mechanical properties useful for various applications. Adsorption of adatoms is an effective method to improve and tune the properties of C3N. Using first-principles calculations, we investigated the adsorption of adatoms, including H, O, S, F, Cl, B, C, Si, N, P, Al, Li, Na, K, Be, Mg, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn, on C3N. Depending on the adatom size and the number of valence electrons, they may induce metallic, half-metallic, semiconducting, and ferromagnetic-metallic behavior. In addition, we investigate the effects of an electrical field, charging, and strain on C3N and found how the electronic and magnetic properties are modified. Semi- and full hydrogenation are studied. From the mechanical and thermal stability of C3N monolayer, we found it to be a hard material that can withstand large strain. From our calculations, we gained novel insights into the properties of C3N demonstrating its unique electronic and magnetic properties that can be useful for semiconducting, nanosensor, and catalytic applications. |
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Wos |
000468368800053 |
Publication Date |
2019-04-24 |
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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 |
1932-7447; 1932-7455 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
81 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FW0-V1). The authors thank Keyvan Nazifi from the Cluster Center of Faculty of Science, Guilan University, for his help. They acknowledge OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:160323 |
Serial |
5196 |
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Author |
Kontogiannidou, E.; Karavasili, C.; Kouskoura, M.G.; Filippousi, M.; Van Tendeloo, G.; Andreadis, I.I.; Eleftheriadis, G.K.; Kontopoulou, I.; Markopoulou, C.K.; Bouropoulos, N.; Fatouros, D.G. |
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Title |
In vitro and ex vivo assessment of microporous Faujasite zeolite (NaX-FAU) as a carrier for the oral delivery of danazol |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of drug delivery science and technology |
Abbreviated Journal |
J Drug Deliv Sci Tec |
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Volume |
51 |
Issue |
51 |
Pages |
177-184 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) |
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Abstract |
Microporous zeolite NaX-FAU has been systemically evaluated for the oral delivery of the poorly water-soluble compound danazol. For this purpose, danazol-loaded zeolitic particles were prepared by the incipient wetness method and were characterized by means of N-2 physisorption, X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and high-resolution transmission electron microscopy (HRTEM). The zeolitic formulation shows a high drug payload and drug stability over a period of six months under accelerated storage conditions. The dissolution profile of danazol-loaded zeolitic particles was assessed in simulated gastric fluid (SGF) pH 1.2; fasted state simulated intestinal fluids (FaSSIF) and fed state simulated intestinal fluid (FeSSIF) showing a gradual and increasing drug dissolution in the different media. Ex vivo studies using the everted gut sac model show an increased drug transport across rat intestinal epithelium when loaded in the zeolitic particles. Our results suggest that microporous Faujasite zeolite (NaX-FAU) could be used as a drug delivery system to facilitate the oral delivery of poorly water soluble compounds. |
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Corporate Author |
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Place of Publication |
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Wos |
000468750300018 |
Publication Date |
2019-03-04 |
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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 |
1773-2247; 2588-8943 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.194 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 27.08.2020
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Notes |
; This research was supported by General Secretariat for Research and Technology, Greece – Research Program “Excellence II, 4766”. The authors acknowledge financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI). ; |
Approved |
Most recent IF: 1.194 |
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Call Number |
UA @ admin @ c:irua:160279 |
Serial |
5252 |
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Author |
Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. |
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Title |
Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
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Volume |
13 |
Issue |
2 |
Pages |
324-329 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. |
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Wos |
000468848400009 |
Publication Date |
2019-03-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2095-0179 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.712 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 1.712 |
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Call Number |
UA @ admin @ c:irua:160278 |
Serial |
5276 |
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Author |
Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A. |
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Title |
Suppressing the formation of NOxand N2O in CO2/N2dielectric barrier discharge plasma by adding CH4: scavenger chemistry at work |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Sustainable Energy & Fuels |
Abbreviated Journal |
Sustainable Energy Fuels |
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Volume |
3 |
Issue |
6 |
Pages |
1388-1395 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000469258600021 |
Publication Date |
2019-02-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2398-4902 |
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 |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:160268 |
Serial |
5188 |
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Author |
Heyne, M.H.; Marinov, D.; Braithwaite, N.; Goodyear, A.; de Marneffe, J.-F.; Cooke, M.; Radu, I.; Neyts, E.C.; De Gendt, S. |
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Title |
A route towards the fabrication of 2D heterostructures using atomic layer etching combined with selective conversion |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
6 |
Issue |
3 |
Pages |
035030 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Heterostructures of low-dimensional semiconducting materials, such as transition metal dichalcogenides (MX2), are promising building blocks for future electronic and optoelectronic devices. The patterning of one MX2 material on top of another one is challenging due to their structural similarity. This prevents an intrinsic etch stop when conventional anisotropic dry etching processes are used. An alternative approach consist in a two-step process, where a sacrificial silicon layer is pre-patterned with a low damage plasma process, stopping on the underlying MoS2 film. The pre-patterned layer is used as sacrificial template for the formation of the top WS2 film. This study describes the optimization of a cyclic Ar/Cl-2 atomic layer etch process applied to etch silicon on top of MoS2, with minimal damage, followed by a selective conversion of the patterned Si into WS2. The impact of the Si atomic layer etch towards the MoS2 is evaluated: in the ion energy range used for this study, MoS2 removal occurs in the over-etch step over 1-2 layers, leading to the appearance of MoOx but without significant lattice distortions to the remaining layers. The combination of Si atomic layer etch, on top of MoS2, and subsequent Si-to-WS2 selective conversion, allows to create a WS2/MoS2 heterostructure, with clear Raman signals and horizontal lattice alignment. These results demonstrate a scalable, transfer free method to achieve horizontally individually patterned heterostacks and open the route towards wafer-level processing of 2D materials. |
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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 |
000468335500004 |
Publication Date |
2019-04-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.937 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:160229 |
Serial |
5266 |
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Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M. |
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Title |
Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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| |
Volume |
31 |
Issue |
26 |
Pages |
265502 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene. |
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Wos |
000465887100001 |
Publication Date |
2019-03-06 |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
10 |
Open Access |
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Notes |
; This work has been carried out with the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:160216 |
Serial |
5236 |
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Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
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Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
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Volume |
4 |
Issue |
14 |
Pages |
813-820 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
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Wos |
000466846700004 |
Publication Date |
2019-02-21 |
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Edition |
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ISSN |
2059-8521 |
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 |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
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Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
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Author |
Yusupov, M.; Razzokov, J.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Transport of Reactive Oxygen and Nitrogen Species across Aquaporin: A Molecular Level Picture |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Oxidative medicine and cellular longevity |
Abbreviated Journal |
Oxid Med Cell Longev |
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Volume |
2019 |
Issue |
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Pages |
1-11 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Aquaporins (AQPs) are transmembrane proteins that conduct not only water molecules across the cell membrane but also other solutes, such as reactive oxygen and nitrogen species (RONS), produced (among others) by cold atmospheric plasma (CAP). These RONS may induce oxidative stress in the cell interior, which plays a role in cancer treatment. The underlying mechanisms of the transport of RONS across AQPs, however, still remain obscure. We apply molecular dynamics simulations to investigate the permeation of both hydrophilic (H<sub>2</sub>O<sub>2</sub>and OH) and hydrophobic (NO<sub>2</sub>and NO) RONS through AQP1. Our simulations show that these RONS can all penetrate across the pores of AQP1. The permeation free energy barrier of OH and NO is lower than that of H<sub>2</sub>O<sub>2</sub>and NO<sub>2</sub>, indicating that these radicals may have easier access to the pore interior and interact with the amino acid residues of AQP1. We also study the effect of RONS-induced oxidation of both the phospholipids and AQP1 (i.e., sulfenylation of Cys<sub>191</sub>) on the transport of the above-mentioned RONS across AQP1. Both lipid and protein oxidation seem to slightly increase the free energy barrier for H<sub>2</sub>O<sub>2</sub>and NO<sub>2</sub>permeation, while for OH and NO, we do not observe a strong effect of oxidation. The simulation results help to gain insight in the underlying mechanisms of the noticeable rise of CAP-induced RONS in cancer cells, thereby improving our understanding on the role of AQPs in the selective anticancer capacity of CAP. |
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Wos |
000492999000001 |
Publication Date |
2019-06-17 |
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Edition |
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ISSN |
1942-0900 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.593 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. M.Y. gratefully acknowledges Dr. U. Khalilov for the fruitful discussions. This work was financially supported by the Research Foundation Flanders (FWO) (grant number 1200219N). |
Approved |
Most recent IF: 4.593 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:160118 |
Serial |
5180 |
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Author |
Florea, A.; Schram, J.; De Jong, M.; Eliaerts, J.; Van Durme, F.; Kaur, B.; Samyn, N.; De Wael, K. |
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Title |
Electrochemical strategies for adulterated heroin samples |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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Volume |
91 |
Issue |
12 |
Pages |
7920-7928 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Electrochemical strategies to selectively detect heroin in street samples without the use of complicated electrode modifications were developed for the first time. For this purpose, heroin, mixing agents (adulterants, cutting agent, and impurities), and their binary mixtures were subjected to square wave voltammetry measurements at bare graphite electrodes at pH 7.0 and pH 12.0, in order to elucidate the unique electrochemical fingerprint of heroin and mixing agents as well as possible interferences or reciprocal influences. Adjusting the pH from pH 7.0 to pH 12.0 allowed a more accurate detection of heroin in the presence of most common mixing agents. Furthermore, the benefit of introducing a preconditioning step prior to running square wave voltammetry on the electrochemical fingerprint enrichment was explored. Mixtures of heroin with other drugs (cocaine, 3,4-methylenedioxymethamphetamine, and morphine) were also tested to explore the possibility of their discrimination and simultaneous detection. The feasibility of the proposed electrochemical strategies was tested on realistic heroin street samples from forensic cases, showing promising results for fast, on-site detection tools of drugs of abuse. |
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Wos |
000472682000056 |
Publication Date |
2019-05-30 |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
2 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. The authors also acknowledge IOF (UAntwerp) and Belspo for financial support. ; |
Approved |
Most recent IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:160061 |
Serial |
5596 |
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Author |
Ramakers, M.; Heijkers, S.; Tytgat, T.; Lenaerts, S.; Bogaerts, A. |
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Title |
Combining CO2 conversion and N2 fixation in a gliding arc plasmatron |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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Volume |
33 |
Issue |
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Pages |
121-130 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Industry needs a flexible and efficient technology to convert CO2 into useful products, which fits in the Carbon Capture and Utilization (CCU) philosophy. Plasma technology is intensively being investigated for this purpose. A promising candidate is the gliding arc plasmatron (GAP). Waste streams of CO2 are often not pure and contain N2 as important impurity. Therefore, in this paper we provide a detailed experimental and computational study of the combined CO2 and N2 conversion in a GAP. Is it possible to take advantage of the presence of N2 in the mixture and to combine CO2 conversion with N2 fixation? Our experiments and simulations reveal that N2 actively contributes to the process of CO2 conversion, through its vibrational levels. In addition, NO and NO2 are formed, with concentrations around 7000 ppm, which is slightly too low for valorization, but by improving the reactor design it must be possible to further increase their concentrations. Other NO-based molecules, in particular the strong greenhouse gas N2O, are not formed in the GAP, which is an important result. We also compare our results with those obtained in other plasma reactors to clarify the differences in underlying plasma processes, and to demonstrate the superiority of the GAP. |
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Wos |
000487274100013 |
Publication Date |
2019-05-22 |
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Abbreviated Series Title |
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Edition |
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ISSN |
2212-9820 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 23.05.2021
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Notes |
Fund for Scientific Research Flanders, G.0383.16N ; Excellence of Science program of the Fund for Scientific Research, G0F9618N ; Hercules Foundation, the Flemish Government; UAntwerpen; We acknowledge financial support from the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N) and the Excellence of Science program of the Fund for Scientific Research (FWO-FNRS; Grant no. G0F9618N; EOS ID: 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Finally, we also want to thank Dr. Ramses Snoeckx for the very interesting discussions, and A. Fridman and A. Rabinovich for developing the GAP. |
Approved |
Most recent IF: 4.292 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159984 |
Serial |
5173 |
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