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Records |
Links |
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Author |
Pandey, T.; Covaci, L.; Peeters, F.M. |
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Title |
Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
171 |
Issue |
|
Pages |
551-559 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dependence of the bending induced out of plane polarization on the applied strain gradient is found. The inferior flexoelectric properties of graphene nanoribbons can be improved by more than two orders of magnitude by hydrogen and fluorine functionalization (CH and CF nanoribbons). A large out of plane flexoelectric effect is predicted for CF nanoribbons. The origin of this enhancement lies in the electro-negativity difference between carbon and fluorine atoms, which breaks the out of plane charge symmetry even for a small strain gradient. The flexoelectric effect can be further improved by co-functionalization with hydrogen and fluorine (CHF Janus-type nanoribbon), where a spontaneous out of plane dipole moment is formed even for flat nanoribbons. We also find that bending can control the charge localization of valence band maxima and therefore enables the tuning of the hole effective masses and band gaps. These results present an important advance towards the understanding of flexoelectric and electronic properties of hydrogen and fluorine functionalized graphene nanoribbons, which can have important implications for flexible electronic applications. (C) 2020 Elsevier Ltd. All rights reserved. |
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Thesis |
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Wos |
000598371500058 |
Publication Date |
2020-09-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN  |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
15 |
Open Access |
OpenAccess |
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Notes |
; The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Flemish Science Foundation (FWO-VI). T. P. is supported by a postdoctoral research fellowship from BOF-UAntwerpen. ; |
Approved |
Most recent IF: 6.337 |
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| |
Call Number |
UA @ admin @ c:irua:175014 |
Serial |
6700 |
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| Permanent link to this record |
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Author |
Veronesi, S.; Pfusterschmied, G.; Fabbri, F.; Leitgeb, M.; Arif, O.; Esteban, D.A.; Bals, S.; Schmid, U.; Heun, S. |
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Title |
3D arrangement of epitaxial graphene conformally grown on porousified crystalline SiC |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
189 |
Issue |
|
Pages |
210-218 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000760358800008 |
Publication Date |
2021-12-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.9 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
Horizon 2020; European Commission; Horizon 2020 Framework Programme; European Research Council, 128 731 019 ; European Research Council, REALNANO 815 128 ; sygmaSB |
Approved |
Most recent IF: 10.9 |
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Call Number |
EMAT @ emat @c:irua:186583 |
Serial |
6952 |
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| Permanent link to this record |
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Author |
Dehdast, M.; Valiollahi, Z.; Neek-Amal, M.; Van Duppen, B.; Peeters, F.M.; Pourfath, M. |
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Title |
Tunable natural terahertz and mid-infrared hyperbolic plasmons in carbon phosphide |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
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| |
Volume |
178 |
Issue |
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Pages |
625-631 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Hyperbolic polaritons in ultra thin materials such as few layers of van derWaals heterostructures provide a unique control over light-matter interaction at the nanoscale and with various applications in flat optics. Natural hyperbolic surface plasmons have been observed on thin films of WTe2 in the light wavelength range of 16-23 mu m (similar or equal to 13-18 THz) [Nat. Commun. 11, 1158 (2020)]. Using time-dependent density functional theory, it is found that carbon doped monolayer phosphorene (beta-allotrope of carbon phosphide monolayer) exhibits natural hyperbolic plasmons at frequencies above similar or equal to 5 THz which is not observed in its parent materials, i.e. monolayer of black phosphorous and graphene. Furthermore, we found that by electrostatic doping the plasmonic frequency range can be extended to the mid-infrared. (C) 2021 Elsevier Ltd. 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 |
000648729800057 |
Publication Date |
2021-03-26 |
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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 |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.337 |
Times cited |
11 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.337 |
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| |
Call Number |
UA @ admin @ c:irua:179033 |
Serial |
7039 |
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| Permanent link to this record |
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Author |
Mirzakhani, M.; Myoung, N.; Peeters, F.M.; Park, H.C. |
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Title |
Electronic Mach-Zehnder interference in a bipolar hybrid monolayer-bilayer graphene junction |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Carbon |
Abbreviated Journal |
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Volume |
201 |
Issue |
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Pages |
734-744 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Graphene matter in a strong magnetic field, realizing one-dimensional quantum Hall channels, provides a unique platform for studying electron interference. Here, using the Landauer-Buttiker formalism along with the tightbinding model, we investigate the quantum Hall (QH) effects in unipolar and bipolar monolayer-bilayer graphene (MLG-BLG) junctions. We find that a Hall bar made of an armchair MLG-BLG junction in the bipolar regime results in valley-polarized edgechannel interferences and can operate a fully tunable Mach-Zehnder (MZ) interferometer device. Investigation of the bar-width and magnetic-field dependence of the conductance oscillations shows that the MZ interference in such structures can be drastically affected by the type of (zigzag) edge termination of the second layer in the BLG region [composed of vertical dimer or non-dimer atoms]. Our findings reveal that both interfaces exhibit a double set of Aharonov-Bohm interferences, with the one between two oppositely valley-polarized edge channels dominating and causing a large amplitude conductance oscillation ranging from 0 to 2e2/h. We explain and analyze our findings by analytically solving the Dirac-Weyl equation for a gated semi-infinite MLG-BLG junction. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000868911500004 |
Publication Date |
2022-09-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.9 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 10.9; 2023 IF: 6.337 |
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Call Number |
UA @ admin @ c:irua:191516 |
Serial |
7302 |
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Author |
Cao, M.; Xiong, D.-B.; Tan, Z.; Ji, G.; Amin-Ahmadi, B.; Guo, Q.; Fan, G.; Guo, C.; Li, Z.; Zhang, D. |
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Title |
Aligning graphene in bulk copper : nacre-inspired nanolaminated architecture coupled with in-situ processing for enhanced mechanical properties and high electrical conductivity |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Carbon |
Abbreviated Journal |
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Volume |
117 |
Issue |
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Pages |
65-74 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Methods used to strengthen metals generally also cause a pronounced decrease in ductility and electrical conductivity. In this work a bioinspired strategy is applied to surmount the dilemma. By assembling copper submicron flakes cladded with in-situ grown graphene, graphene/copper matrix composites with a nanolaminated architecture inspired by a natural nacre have been prepared. Owing to a combined effect-from the bioinspired nanolaminated architecture and improved interfacial bonding, a synergy has been achieved between mechanical strength and ductility as well as electrical conductivity in the graphene/copper matrix composites. With a low volume fraction of only 2.5% of graphene, the composite shows a yield strength and elastic modulus similar to 177% and similar to 25% higher than that of unreinforced copper matrix, respectively, while retains ductility and electrical conductivity comparable to that of pure copper. The bioinspired nanolaminated architecture enhances the efficiencies of two-dimensional (2D) graphene in mechanical strengthening and electrical conducting by aligning graphene to maximize performance for required loading and carrier transporting conditions, and toughens the composites by crack deflection. Meanwhile, in-situ growth of graphene is beneficial for improving interfacial bonding and structural quality of graphene. The strategy sheds light on the development of composites with good combined structural and functional properties. (C) 2017 Elsevier Ltd. All rights reserved. |
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Place of Publication |
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Language |
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Wos |
000400212100008 |
Publication Date |
2017-02-27 |
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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 |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:152635 |
Serial |
7435 |
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| Permanent link to this record |
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Author |
Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. |
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Title |
Modeling symmetric and defect-free carbon schwarzites into various zeolite templates |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Carbon |
Abbreviated Journal |
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Volume |
215 |
Issue |
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Pages |
118385-118389 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
001078649800001 |
Publication Date |
2023-09-04 |
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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 |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
10.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 10.9; 2023 IF: 6.337 |
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Call Number |
UA @ admin @ c:irua:200314 |
Serial |
9057 |
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| Permanent link to this record |
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Author |
Sánchez-Muñoz, L.; García-Guinea, J.; Zagorsky, V.Y.; Juwono, T.; Modreski, P.J.; Cremades, A.; Van Tendeloo, G.; de Moura, O.J.M. |
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Title |
The evolution of twin patterns in perthitic K-feldspar from garnitic pegmatites |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Canadian mineralogist |
Abbreviated Journal |
Can Mineral |
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Volume |
50 |
Issue |
4 |
Pages |
989-1024 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Grains of K-feldspar are commonly seen as heterogeneous mixtures of mineral species and varieties with random microstructures. Most consider that observable features arise from incomplete re-equilibrations owing to slow kinetic and localized effects of aqueous fluids (catalyst), with geological environment and chemical impurities playing only a secondary role. Here, an alternative approach is explored by studying well-preserved regularities in the twin patterns of K-feldspars formed in the subsolidus stage from a historical perspective. Selected samples from granitic pegmatites were studied by polarized light optical microscopy (PLOM), electron-probe micro-analysis (EPMA), scanning (SEM) and transmission electron microscopy (TEM), cathodoluminescence imaging (CL), micro-Raman spectroscopy (MRS) and 31P nuclear magnetic resonance (NMR). We have found that the essential feature of this crystalline medium is the astounding capability to recrystallize in self-organized twin patterns. The mechanism involves coupling between short-range atomic motion, and long-range displacive correlations propagated as ideal and non-ideal Albite and Pericline orientations. We suggest a general evolutionary process to explain the development of macroscopic twin patterns in microcline, based on three twin generations as microtwins, macrotwins and cryptotwins. Evolutionary variants also were identified; they depend on both internal crystallochemical features and an external geological stimulus. We suggest a continuous monoclinictriclinic transformation for impure K-feldspar, whereas a discontinuous inversion occurs where the starting composition is close to the ideal chemical formula. Twin patterns can evolve by twin coarsening to single-orientation microcline if the system releases energy, or by twin fragmentation to finely twinned microcline if the system stores energy. Hence, K-feldspar is seen here as a very sensitive medium in which precious geological information is recorded in the form of twin patterns, and thus useful for general geological challenges. |
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Corporate Author |
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Publisher |
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Place of Publication |
Toronto |
Editor |
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Language |
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Wos |
000314174400015 |
Publication Date |
2012-10-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-4476;1499-1276; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.817 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.817; 2012 IF: 1.180 |
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Call Number |
UA @ lucian @ c:irua:101781 |
Serial |
1103 |
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Author |
Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P. |
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Title |
Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
The Canadian journal of chemical engineering |
Abbreviated Journal |
Can J Chem Eng |
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Volume |
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Issue |
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Pages |
1-17 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells. |
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Place of Publication |
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Wos |
000859840100001 |
Publication Date |
2022-07-26 |
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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 |
0008-4034; 1939-019x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.1 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.1 |
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Call Number |
UA @ admin @ c:irua:189284 |
Serial |
7160 |
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Author |
Perreault, P.; Robert, E.; Patience, G.S. |
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Title |
Experimental methods in chemical engineering : mass spectrometry – MS |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The Canadian journal of chemical engineering |
Abbreviated Journal |
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Volume |
97 |
Issue |
5 |
Pages |
1036-1042 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Mass spectrometry identifies the atomic mass of molecules and fragments in the gas phase. The spectrometer ionizes the molecules that then pass through an electric or magnetic field towards a detector. The field modifies the molecule's trajectory and we infer mass from its direction and velocity in a static field or from the stability of its path in a dynamic field. The electric current is amplified and a mass spectrum is generated from the location or timing of the signal from the detector, translated into a plot of the intensity as a function of the mass‐over‐charge ratio. It is field deployable, measures concentrations in real time with a temporal resolution better than 100 ms, and detection limits of fg. However, the signal drifts with time so we have to calibrate it as frequently as every hour. Calibrating requires multiple mixtures with varying concentrations to map the non‐linear response. The Web of Science Core Collection indexed over 60 000 articles that refer to MS (2016 and 2017) with applications ranging from permanent gas analysis, to identifying protein, forensic science, and natural products. The bibliometric software VOSViewer(2010) identified four clusters of research related to MS: (1) proteomics, proteins, plasma, and metabolomics; (2) solid phase extraction together with gas chromatography; (3) tandem mass spectrometry and liquid chromatography; and (4) waste water and toxicity. We expect that the technique will continue to evolve with increased sensitivity, lower drift, and greater specificity. Miniaturization efforts should also continue in order to develop faster field deployable instruments. |
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Place of Publication |
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Language |
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Wos |
000468025000001 |
Publication Date |
2019-01-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0008-4034; 1939-019x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:162123 |
Serial |
7947 |
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Author |
Bull, D.; Krekeler, A.; Alfeld, M.; Dik, J.; Janssens, K. |
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Title |
An intrusive portrait by Goya |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
The Burlington magazine |
Abbreviated Journal |
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Volume |
153 |
Issue |
1303 |
Pages |
668-673 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
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Place of Publication |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0007-6287; 2044-9925 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:93602 |
Serial |
5672 |
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Author |
Tummers, A.; Wallert, A.; De Keyser, N. |
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Title |
Supplementing the eye : the technical analysis of Frans Hals's paintings – ii |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The Burlington magazine |
Abbreviated Journal |
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Volume |
161 |
Issue |
1401 |
Pages |
996-1003 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The painting 'Two fisherboys' has long caused confusion among experts. A close comparison of the painting with a forgery by Han van Meegeren and Frans Hals's `Fisherboy' solves the conundrum and provides valuable insights into the merits and drawbacks of modern analytical techniques. |
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Wos |
000500540400006 |
Publication Date |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0007-6287; 2044-9925 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:165106 |
Serial |
8624 |
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| Permanent link to this record |
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Author |
Koldeweij, J.; Hoogstede, L.; Ilsink, M.; Janssens, K.; De Keyser, N.; Gotink, R.K.; Legrand, S.; Nauhaus, J.M.; van der Snickt, G.; Spronk, R. |
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| |
Title |
The patron of Hieronymus Bosch's 'Last Judgment' triptych in Vienna |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
The Burlington magazine |
Abbreviated Journal |
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|
| |
Volume |
160 |
Issue |
1379 |
Pages |
106-111 |
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| |
Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
A technical examination of the Last Judgment triptych by Hieronymus Bosch in the Paintings Gallery of the Academy of Fine Arts, Vienna, has revealed a painted escutcheon with the coat of arms of the Burgundian court official Hippolyte de Berthoz underneath the current surface of the right outer wing. This allows him to be firmly identified as the painting's patron. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000458246800007 |
Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0007-6287; 2044-9925 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:181267 |
Serial |
8656 |
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| Permanent link to this record |
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Author |
Semkina, A.S.; Abakumov, M.A.; Abakumov, A.M.; Nukolova, N.V.; Chekhonin, V.P. |
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Title |
Relationship between the Size of Magnetic Nanoparticles and Efficiency of MRT Imaging of Cerebral Glioma in Rats |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Bulletin of experimental biology and medicine |
Abbreviated Journal |
B Exp Biol Med+ |
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| |
Volume |
161 |
Issue |
2 |
Pages |
292-295 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
BSA-coated Fe3O4 nanoparticles with different hydrodynamic diameters (36 +/- 4 and 85 +/- 10 nm) were synthesized, zeta potential and T2 relaxivity were determined, and their morphology was studied by transmission electron microscopy. Studies on rats with experimental glioma C6 showed that smaller nanoparticles more effectively accumulated in the tumor and circulated longer in brain vessels. Optimization of the hydrodynamic diameter improves the efficiency of MRT contrast agent. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
000380118500022 |
Publication Date |
2016-07-07 |
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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 |
0007-4888 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
0.456 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.456 |
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| |
Call Number |
UA @ lucian @ c:irua:144707 |
Serial |
4684 |
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| Permanent link to this record |
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Author |
Parente, A.; Gorlé, C.; van Beeck, J.; Benocci, C. |
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Title |
A comprehensive modelling approach for the neutral atmospheric boundary layer : consistent inflow conditions, wall function and turbulence model |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Boundary-layer meteorology |
Abbreviated Journal |
Bound-Lay Meteorol |
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| |
Volume |
140 |
Issue |
3 |
Pages |
411-428 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We report on a novel approach for the Reynolds-averaged Navier-Stokes (RANS) modelling of the neutral atmospheric boundary layer (ABL), using the standard k− turbulence model. A new inlet condition for turbulent kinetic energy is analytically derived from the solution of the k− model transport equations, resulting in a consistent set of fully developed inlet conditions for the neutral ABL. A modification of the standard k− model is also employed to ensure consistency between the inlet conditions and the turbulence model. In particular, the turbulence model constant C μ is generalized as a location-dependent parameter, and a source term is introduced in the transport equation for the turbulent dissipation rate. The application of the proposed methodology to cases involving obstacles in the flow is made possible through the implementation of an algorithm, which automatically switches the turbulence model formulation when going from the region where the ABL is undisturbed to the region directly affected by the building. Finally, the model is completed with a slightly modified version of the Richards and Hoxey rough-wall boundary condition. The methodology is implemented and tested in the commercial code Ansys Fluent 12.1. Results are presented for a neutral boundary layer over flat terrain and for the flow around a single building immersed in an ABL. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Dordrecht |
Editor |
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Language |
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Wos |
000293923800004 |
Publication Date |
2011-05-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0006-8314;1573-1472; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.573 |
Times cited |
54 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 2.573; 2011 IF: 1.737 |
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| |
Call Number |
UA @ lucian @ c:irua:92341 |
Serial |
450 |
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| Permanent link to this record |
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Author |
Gorlé, C.; van Beeck, J.; Rambaud, P. |
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Title |
Dispersion in the wake of a rectangular building : validation of two Reynolds-averaged Navier-Stokes modelling approaches |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Boundary-layer meteorology |
Abbreviated Journal |
Bound-Lay Meteorol |
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Volume |
137 |
Issue |
1 |
Pages |
115-133 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
When modelling the turbulent dispersion of a passive tracer using Reynolds-averaged Navier-Stokes (RANS) simulations, two different approaches can be used. The first consists of solving a transport equation for a scalar, where the governing parameters are the mean velocity field and the turbulent diffusion coefficient, given by the ratio of the turbulent viscosity and the turbulent Schmidt number Sc (t) . The second approach uses a Lagrangian particle tracking algorithm, where the governing parameters are the mean velocity and the fluctuating velocity field, which is determined from the turbulence kinetic energy and the Lagrangian time T (L) . A comparison between the two approaches and wind-tunnel data for the dispersion in the wake of a rectangular building immersed in a neutral atmospheric boundary layer (ABL) is presented. Particular attention was paid to the influence of turbulence model parameters on the flow and concentration field. In addition, an approach to estimate Sc (t) and T (L) based on the calculated flow field is proposed. The results show that applying modified turbulence model constants to enable correct modelling of the ABL improves the prediction for the velocity and concentration fields when the modification is restricted to the region for which it was derived. The difference between simulated and measured concentrations is smaller than 25% or the uncertainty of the data on 76% of the points when solving the transport equation for a scalar with the proposed formulation for Sc (t) , and on 69% of the points when using the Lagrangian particle tracking with the proposed formulation for T (L) . |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Dordrecht |
Editor |
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Language |
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Wos |
000281712500006 |
Publication Date |
2010-06-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0006-8314;1573-1472; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.573 |
Times cited |
16 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 2.573; 2010 IF: 1.879 |
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| |
Call Number |
UA @ lucian @ c:irua:95570 |
Serial |
736 |
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| Permanent link to this record |
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Author |
Li, T.; Piltz, B.; Podola, B.; Dron, A.; de Beer, D.; Melkonian, M. |
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Title |
Microscale profiling of photosynthesis-related variables in a highly productive biofilm photobioreactor |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Biotechnology and bioengineering |
Abbreviated Journal |
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| |
Volume |
113 |
Issue |
5 |
Pages |
1046-1055 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In the present study depth profiles of light, oxygen, pH and photosynthetic performance in an artificial biofilm of the green alga Halochlorella rubescens in a porous substrate photobioreactor (PSBR) were recorded with microsensors. Biofilms were exposed to different light intensities (50-1,000mol photons m(-2) s(-1)) and CO2 levels (0.04-5% v/v in air). The distribution of photosynthetically active radiation showed almost identical trends for different surface irradiances, namely: a relatively fast drop to a depth of about 250 mu m, (to 5% of the incident), followed by a slower decrease. Light penetrated into the biofilm deeper than the Lambert-Beer Law predicted, which may be attributed to forward scattering of light, thus improving the overall light availability. Oxygen concentration profiles showed maxima at a depth between 50 and 150m, depending on the incident light intensity. A very fast gas exchange was observed at the biofilm surface. The highest oxygen concentration of 3.2mM was measured with 1,000mol photons m(-2) s(-1) and 5% supplementary CO2. Photosynthetic productivity increased with light intensity and/or CO2 concentration and was always highest at the biofilm surface; the stimulating effect of elevated CO2 concentration in the gas phase on photosynthesis was enhanced by higher light intensities. The dissolved inorganic carbon concentration profiles suggest that the availability of the dissolved free CO2 has the strongest impact on photosynthetic productivity. The results suggest that dark respiration could explain previously observed decrease in growth rate over cultivation time in this type of PSBR. Our results represent a basis for understanding the complex dynamics of environmental variables and metabolic processes in artificial phototrophic biofilms exposed to a gas phase and can be used to improve the design and operational parameters of PSBRs. Biotechnol. Bioeng. 2016;113: 1046-1055. (c) 2015 Wiley Periodicals, Inc. |
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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 |
000373476700013 |
Publication Date |
2015-10-24 |
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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 |
0006-3592 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:133255 |
Serial |
8248 |
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| Permanent link to this record |
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Author |
Liu, Y.; Ngo, H.H.; Guo, W.; Peng, L.; Chen, X.; Wang, D.; Pan, Y.; Ni, B.-J. |
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Title |
Modeling electron competition among nitrogen oxides reduction and N2Oaccumulation in hydrogenotrophic denitrification |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Biotechnology and bioengineering |
Abbreviated Journal |
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Volume |
115 |
Issue |
4 |
Pages |
978-988 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Hydrogenotrophic denitrification is a novel and sustainable process for nitrogen removal, which utilizes hydrogen as electron donor, and carbon dioxide as carbon source. Recent studies have shown that nitrous oxide (N2O), a highly undesirable intermediate and potent greenhouse gas, can accumulate during this process. In this work, a new mathematical model is developed to describe nitrogen oxides dynamics, especially N2O, during hydrogenotrophic denitrification for the first time. The model describes electron competition among the four steps of hydrogenotrophic denitrification through decoupling hydrogen oxidation and nitrogen reduction processes using electron carriers, in contrast to the existing models that couple these two processes and also do not consider N2O accumulation. The developed model satisfactorily describes experimental data on nitrogen oxides dynamics obtained from two independent hydrogenotrophic denitrifying cultures under various hydrogen and nitrogen oxides supplying conditions, suggesting the validity and applicability of the model. The results indicated that N2O accumulation would not be intensified under hydrogen limiting conditions, due to the higher electron competition capacity of N2O reduction in comparison to nitrate and nitrite reduction during hydrogenotrophic denitrification. The model is expected to enhance our understanding of the process during hydrogenotrophic denitrification and the ability to predict N2O accumulation. |
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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 |
000426493300016 |
Publication Date |
2017-12-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0006-3592 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:149850 |
Serial |
8261 |
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| Permanent link to this record |
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Author |
Ang, F.; Van Passel, S. |
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Title |
Beyond the environmentalist's paradox and the debate on weak versus strong sustainability |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Bioscience |
Abbreviated Journal |
Bioscience |
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Volume |
62 |
Issue |
3 |
Pages |
251-259 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Environmentalists generally argue that ecological damage will (eventually) lead to declines in human well-being. From this perspective, the recent introduction of the “environmentalist's paradox” in BioScience by Raudsepp-Hearne and colleagues (2010) is particularly significant. In essence, Raudsepp-Hearne and colleagues (2010) claimed that although ecosystem services have been degraded, human well-being-paradoxically-has increased. In this article, we show that this debate is in fact rooted in a broader discussion on weak sustainability versus strong sustainability (the substitutability of human-made capital for natural capital). We warn against the reductive nature of focusing only on a stock flow framework in which a natural-capital stock produces ecosystem services. Concretely, we recommend a holistic approach in which the complexity, irreversibility, uncertainty, and ethical predicaments intrinsic to the natural environment and its connections to humanity are also considered. |
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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 |
000301561900008 |
Publication Date |
2012-03-07 |
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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 |
0006-3568 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.378 |
Times cited |
17 |
Open Access |
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Notes |
; We thank three anonymous reviewers for their helpful comments. This aiticle has benefited considerably from interesting discussions (especially with Liesbet Vranken) at the 13th Belgian PhD Symposium of Agricultural and Natural Resource Economics, Brussels, on 27 April 2011. We are grateful for the financial support of the European Fund for Regional Development project 475, Closing the Circle. ; |
Approved |
Most recent IF: 5.378; 2012 IF: 4.739 |
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Call Number |
UA @ admin @ c:irua:127559 |
Serial |
6160 |
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| Permanent link to this record |
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Author |
Leysen, L.A.; Roekens, E.J.; Storms, H.; Van Grieken, R.E. |
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Title |
Classification of suspended particles in deposition samples and run-off water samples from a limestone cathedral |
Type |
A1 Journal article |
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Year |
1987 |
Publication |
Atmospheric environment |
Abbreviated Journal |
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Volume |
21 |
Issue |
11 |
Pages |
2425-2433 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In a study on the mechanism of the air-pollution induced deterioration of the limestone St. Rombouts cathedral in Mechelen, Belgium, automated electron-probe X-ray micro-analysis combined with multivariate analysis was used to characterize the suspension particles in run-off water and in local wet and dry deposition samples. Altogether about 10,000 individual particles were sized, analyzed and classified, according to their chemical composition. It was found that the run-off water samples were highly enriched in CaCO3 particles, resulting from the stone-erosion by overflowing rainwater, while the Si-rich group was the most abundant one in the deposition samples. Several other particle types were found. Ion chromatography analysis of the run-off water showed 2001700mg l−1 of sulphate and 20110mg l−1 of nitrate. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2003-08-06 |
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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 |
0004-6981 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116454 |
Serial |
7670 |
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| Permanent link to this record |
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Author |
Rojas, C.M.; Van Grieken, R.E.; Laane, R.W. |
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Title |
Comparison of 3 dry deposition models applied to field-measurements in the Southern Bight of the North-Sea |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Atmospheric environment |
Abbreviated Journal |
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| |
Volume |
27 |
Issue |
3 |
Pages |
363-370 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Dry deposition velocities have been calculated using three different approaches. Turbulent wind profile theory has been used to predict the drag coefficient, wind speed and friction velocity at 10 m height when the wind speed is measured at a higher altitude. The resulting parameters were introduced in a two-layer deposition model. The second approach was the well-known model of Slinn and Slinn (1980, Atmospheric Environment 14, 1013-1016), whereas the third corresponded to the model published by Williams (1982, Atmospheric Environment 16, 1933 1938). Results point to clear differences. However, in a field experiment carried out at the Southern Bight of the North Sea, all three approaches show relatively comparable results. The role played by the size distribution of atmospheric particulate matter is essential. In our case any of the three models could have given satisfactory outcomes taking into account the wide spread of the experimental results cited in the literature for the same airshed. |
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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 |
A1993KQ75200008 |
Publication Date |
2003-08-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0004-6981 |
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:100018 |
Serial |
7690 |
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| Permanent link to this record |
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| |
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Author |
Bruynseels, F.; Van Grieken, R. |
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| |
Title |
Direct detection of sulfate and nitrate layers on sampled marine aerosols by laser microprobe mass analysis |
Type |
A1 Journal article |
| |
Year |
1985 |
Publication |
Atmospheric environment |
Abbreviated Journal |
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| |
Volume |
19 |
Issue |
11 |
Pages |
1969-1970 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
The direct detection of sulfate and nitrate layers on sampled marine aerosols was carried out by laser microprobe mass analysts. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2003-08-06 |
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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 |
0004-6981 |
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:113617 |
Serial |
7810 |
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| Permanent link to this record |
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| |
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Author |
Roekens, E.; Van Grieken, R. |
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| |
Title |
Rates of air pollution induced surface recession and material loss for a cathedral in Belgium |
Type |
A1 Journal article |
| |
Year |
1989 |
Publication |
Atmospheric environment |
Abbreviated Journal |
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| |
Volume |
23 |
Issue |
1 |
Pages |
271-287 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Runoff water samples were taken at the St. Rombout's Cathedral (Mechelen, Belgium), which was constructed with sandy limestones of Balegem and Gobertingen. Gypsum appeared to be the principal deterioration compound. The mean annual surface recession from the cathedral was calculated to be around 20 μm. Yearly several tons of stone material are flushed away from the cathedral with the rain water. |
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Address |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2003-08-06 |
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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 |
0004-6981 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
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Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:116455 |
Serial |
8454 |
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| Permanent link to this record |
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| |
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Author |
Oliveira, M.C.; Cordeiro, R.M.; Bogaerts, A. |
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| |
Title |
Effect of lipid oxidation on the channel properties of Cx26 hemichannels : a molecular dynamics study |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
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| |
Volume |
746 |
Issue |
|
Pages |
109741-12 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Intercellular communication plays a crucial role in cancer, as well as other diseases, such as inflammation, tissue degeneration, and neurological disorders. One of the proteins responsible for this, are connexins (Cxs), which come together to form a hemichannel. When two hemichannels of opposite cells interact with each other, they form a gap junction (GJ) channel, connecting the intracellular space of these cells. They allow the passage of ions, reactive oxygen and nitrogen species (RONS), and signaling molecules from the interior of one cell to another cell, thus playing an essential role in cell growth, differentiation, and homeostasis. The importance of GJs for disease induction and therapy development is becoming more appreciated, especially in the context of oncology. Studies have shown that one of the mechanisms to control the formation and disruption of GJs is mediated by lipid oxidation pathways, but the underlying mechanisms are not well understood. In this study, we performed atomistic molecular dynamics simulations to evaluate how lipid oxidation influences the channel properties of Cx26 hemichannels, such as channel gating and permeability. Our results demonstrate that the Cx26 hemichannel is more compact in the presence of oxidized lipids, decreasing its pore diameter at the extracellular side and increasing it at the amino terminus domains, respectively. The permeability of the Cx26 hemichannel for water and RONS molecules is higher in the presence of oxidized lipids. The latter may facilitate the intracellular accumulation of RONS, possibly increasing oxidative stress in cells. A better understanding of this process will help to enhance the efficacy of oxidative stress-based cancer treatments. |
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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 |
001079100300001 |
Publication Date |
2023-09-07 |
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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 |
|
Edition |
|
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| |
ISSN |
0003-9861; 1096-0384 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.9 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3.9; 2023 IF: 3.165 |
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| |
Call Number |
UA @ admin @ c:irua:200282 |
Serial |
9028 |
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| Permanent link to this record |
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| |
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Author |
Rezaei, M.; Ghasemitarei, M.; Razzokov, J.; Yusupov, M.; Ghorbanalilu, M.; Ejtehadi, M.R. |
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| |
Title |
In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
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|
| |
Volume |
751 |
Issue |
|
Pages |
109835-109837 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The overexpression of voltage dependent anion channels (VDACs), particularly VDAC1, in cancer cells compared to normal cells, plays a crucial role in cancer cell metabolism, apoptosis regulation, and energy homeostasis. In this study, we used molecular dynamics (MD) simulations to investigate the effect of a low level of VDAC1 oxidation (induced e.g., by cold atmospheric plasma (CAP)) on the pyruvate (Pyr) uptake by VDAC1. Inhibiting Pyr uptake through VDAC1 can suppress cancer cell proliferation. Our primary target was to study the translocation of Pyr across the native and oxidized forms of hVDAC1, the human VDAC1. Specifically, we employed MD simulations to analyze the hVDAC1 structure by modifying certain cysteine residues to cysteic acids and methionine residues to methionine sulfoxides, which allowed us to investigate the effect of oxidation. Our results showed that the free energy barrier for Pyr translocation through the native and oxidized channel was approximately 4.3 +/- 0.7 kJ mol-1 and 10.8 +/- 1.8 kJ mol-1, respectively. An increase in barrier results in a decrease in rate of Pyr permeation through the oxidized channel. Thus, our results indicate that low levels of CAP oxidation reduce Pyr translocation, resulting in decreased cancer cell proliferation. Therefore, low levels of oxidation are likely sufficient to treat cancer cells given the inhibition of Pyr uptake. |
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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 |
001127850500001 |
Publication Date |
2023-11-23 |
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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 |
|
Edition |
|
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| |
ISSN |
0003-9861; 1096-0384 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.9 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.9; 2024 IF: 3.165 |
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| |
Call Number |
UA @ admin @ c:irua:202185 |
Serial |
9046 |
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| Permanent link to this record |
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Author |
Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. |
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| |
Title |
Transport of cystine across xC-antiporter |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
Arch Biochem Biophys |
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| |
Volume |
664 |
Issue |
|
Pages |
117-126 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Extracellular cystine (CYC) uptake by xC antiporter is important for the cell viability. Especially in cancer cells, the upregulation of xC activity is observed, which protects these cells from intracellular oxidative stress. Hence, inhibition of the CYC uptake may eventually lead to cancer cell death. Up to now, the molecular level mechanism of the CYC uptake by xC antiporter has not been studied in detail. In this study, we applied several different simulation techniques to investigate the transport of CYC through xCT, the light subunit of the xC antiporter, which is responsible for the CYC and glutamate translocation. Specifically, we studied the permeation of CYC across three model systems, i.e., outward facing (OF), occluded (OCC) and inward facing (IF) configurations of xCT. We also investigated the effect of mutation of Cys327 to Ala within xCT, which was also studied experimentally in literature. This allowed us to qualitatively compare our computation results with experimental observations, and thus, to validate our simulations. In summary, our simulations provide a molecular level mechanism of the transport of CYC across the xC antiporter, more specifically, which amino acid residues in the xC antiporter play a key role in the uptake, transport and release of CYC. |
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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 |
000461411200014 |
Publication Date |
2019-02-07 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0003-9861 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.165 |
Times cited |
3 |
Open Access |
OpenAccess |
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| |
Notes |
Research Foundation − FlandersResearch Foundation − Flanders (FWO), 1200216N 1200219N ; Hercules FoundationHercules Foundation; Flemish GovernmentFlemish Government (department EWI); UAUA; M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant numbers 1200216N and 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. |
Approved |
Most recent IF: 3.165 |
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| |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:158571 |
Serial |
5183 |
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| Permanent link to this record |
| |
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| |
|
Author |
Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. |
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| |
Title |
Effect of oxidative stress on cystine transportation by xC‾ antiporter |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
Arch Biochem Biophys |
|
| |
Volume |
674 |
Issue |
|
Pages |
108114 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
We performed computer simulations to investigate the effect of oxidation on the extracellular cystine (CYC) uptake by the xC− antiporter. The latter is important for killing of cancer cells. Specifically, applying molecular dynamics (MD) simulations we studied the transport of CYC across xCT, i.e., the light subunit of the xC− antiporter, in charge of bidirectional transport of CYC and glutamate. We considered the outward facing (OF) configuration of xCT, and to study the effect of oxidation, we modified the Cys327 residue, located in the vicinity of the extracellular milieu, to cysteic acid (CYO327). Our computational results showed that oxidation of Cys327 results in a free energy barrier for CYC translocation, thereby blocking the access of CYC to the substrate binding site of the OF system. The formation of the energy barrier was found to be due to the conformational changes in the channel. Analysis of the MD trajectories revealed that the reorganization of the side chains of the Tyr244 and CYO327 residues play a critical role in the OF channel blocking. Indeed, the calculated distance between Tyr244 and either Cys327 or CYO327 showed a narrowing of the channel after oxidation. The obtained free energy barrier for CYC translocation was found to be 33.9kJmol−1, indicating that oxidation of Cys327, by e.g., cold atmospheric plasma, is more effective in inhibiting the xC− antiporter than in the mutation of this amino acid to Ala (yielding a barrier of 32.4kJmol−1). The inhibition of the xC− antiporter may lead to Cys starvation in some cancer cells, eventually resulting in cancer cell death. |
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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 |
000525439700011 |
Publication Date |
2019-09-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-9861 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.165 |
Times cited |
|
Open Access |
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| |
Notes |
Ministry of Science, Research and Technology of Iran; University of Antwerp; Research Foundation − Flanders, 1200219N ; Universiteit Antwerpen; Hercules Foundation; Flemish Government; UA; M. G. acknowledges funding from the Ministry of Science, Research and Technology of Iran and from the University of Antwerp in Belgium. M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant number 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. |
Approved |
Most recent IF: 3.165 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:163474 |
Serial |
5372 |
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| Permanent link to this record |
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Author |
Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M. |
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Title |
How do nitrated lipids affect the properties of phospholipid membranes? |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Archives Of Biochemistry And Biophysics |
Abbreviated Journal |
Arch Biochem Biophys |
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| |
Volume |
695 |
Issue |
|
Pages |
108548 |
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| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Biological membranes are under constant attack of free radicals, which may lead to lipid nitro-oxidation, pro ducing a complex mixture of nitro-oxidized lipids that are responsible for structural and dynamic changes on the membrane. Despite the latter, nitro-oxidized lipids are also associated with several inflammatory and neuro degenerative diseases, the underlying mechanisms of which remain elusive. We perform atomistic molecular dynamics simulations using several isomers of nitro-oxidized lipids to study their effect on the structure and permeability of the membrane, as well as the interaction between the mixture of these products in the phospholipid membrane environment. Our results show that the stereo- and positional isomers have a stronger effect on the properties of the membrane composed of oxidized lipids compared to that containing nitrated lipids. Nevertheless, nitrated lipids lead to three-fold increase in water permeability compared to oxidized lipids. In addition, we show that in a membrane consisting of combined nitro-oxidized lipid products, the presence of oxidized lipids protects the membrane from transient pores. Is well stablished that plasma application and photodynamic therapy produces a number of oxidative species used to kill cancer cells, through membrane damage induced by nitro-oxidative stress. This study is important to elucidate the mechanisms and the molecular level properties involving the reactive species produced during that cancer therapies. |
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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 |
000594173400010 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-9861 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.9 |
Times cited |
|
Open Access |
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Notes |
CAPES; Flanders Research Foundation, 1200219N ; We thank Universidade Federal do ABC for providing the computational resources needed for completion of this work and CAPES for scholarship granted. M.Y. acknowledges the Flanders Research Foundation (grant 1200219N) for financial support. |
Approved |
Most recent IF: 3.9; 2020 IF: 3.165 |
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Call Number |
PLASMANT @ plasmant @c:irua:173861 |
Serial |
6440 |
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| Permanent link to this record |
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Author |
Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M. |
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Title |
Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Archives Of Biochemistry And Biophysics |
Abbreviated Journal |
Arch Biochem Biophys |
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Volume |
717 |
Issue |
|
Pages |
109136 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
It is well established that lipid aldehydes (LAs) are able to increase the permeability of cell membranes and induce their rupture. However, it is not yet clear how LAs are distributed in phase-separated membranes (PSMs), which are responsible for the transport of selected molecules and intracellular signaling. Thus, we investigate here the distribution of LAs in a PSM by coarse-grained molecular dynamics simulations. Our results reveal that LAs derived from mono-unsaturated lipids tend to accumulate at the interface between the liquid-ordered/liquiddisordered domains, whereas those derived from poly-unsaturated lipids remain in the liquid-disordered domain. These results are important for understanding the effects caused by oxidized lipids in membrane structure, properties and organization. |
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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 |
000767632000001 |
Publication Date |
2022-01-24 |
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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 |
0003-9861 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
We thank the University of Antwerp and the Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted. 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. |
Approved |
Most recent IF: 3.9 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:185874 |
Serial |
6905 |
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| Permanent link to this record |
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Author |
Salvant, J.; Williams, J.; Ganio, M.; Casadio, F.; Daher, C.; Sutherland, K.; Monico, L.; Vanmeert, F.; De Meyer, S.; Janssens, K.; Cartwright, C.; Walton, M. |
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Title |
A Roman Egyptian Painting Workshop : technical investigation of the portraits from Tebtunis, Egypt |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Archaeometry |
Abbreviated Journal |
Archaeometry |
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Volume |
60 |
Issue |
4 |
Pages |
815-833 |
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Keywords |
A1 Journal article; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Roman-period mummy portraits are considered to be ancient antecedents of modern portraiture. However, the techniques and materials used in their manufacture are not thoroughly understood. Analytical study of the pigments as well as the binding materials helps to address questions on what aspects of the painting practices originate from Pharaonic and/or Graeco-Roman traditions, and can aid in determining the provenance of the raw materials from potential locations across the ancient Mediterranean and European worlds. Here, one of the largest assemblages of mummy portraits to remain intact since their excavation from the site of Tebtunis in Egypt was examined using multiple analytical techniques to address how they were made. The archaeological evidence suggests that these portraits were products of a single workshop and, correspondingly, they are found to be made using similar techniques and materials: wax-based and lead white-rich paint combined with a variety of iron-based pigments (including hematite, goethite and jarosite), as well as Egyptian blue, minium, indigo and madder lake to create subtle variations and tones. |
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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 |
000438195100011 |
Publication Date |
2017-11-24 |
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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 |
0003-813x; 1475-4754 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.47 |
Times cited |
6 |
Open Access |
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| |
Notes |
; This collaborative initiative is part of NU-ACCESS's broad portfolio of activities, made possible by generous support of the Andrew W. Mellon Foundation as well as supplemental support provided by the Materials Research Center, the Office of the Vice President for Research, the McCormick School of Engineering and Applied Science and the Department of Materials Science and Engineering at Northwestern University. This work made use of the Keck-II facility of the NUANCE Center at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1121262) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of this research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF), and at ESRF (experiment no. HG-79). We are grateful to Marine Cotte and Wout De Nolf for their support during the experiment at beamline ID21. We would like to thank Gerald Falkenberg and Jan Garrevoet for their assistance in using beamline P06. ; |
Approved |
Most recent IF: 1.47 |
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| |
Call Number |
UA @ admin @ c:irua:152396 |
Serial |
5455 |
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| Permanent link to this record |
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Author |
van der Linden, V.; Cosyns, P.; Schalm, O.; Cagno, S.; Nys, K.; Janssens, K.; Nowak, A.; Wagner, B.; Bulska, E. |
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Title |
Deeply coloured and black glass in the Northern provinces of the Roman Empire : differences and similarities in chemical composition before and after AD 150 |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Archaeometry |
Abbreviated Journal |
Archaeometry |
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| |
Volume |
51 |
Issue |
5 |
Pages |
822-844 |
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Keywords |
A1 Journal article; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
In this work we attempt to elucidate the chronological and geographical origin of deeply coloured and black glass dating between 100 bc and ad 300 on the basis of their major and trace element compositions. Samples from the western and eastern parts of the Roman Empire were analysed. Analytical data were obtained by means of a scanning electron microscope – energy-dispersive system (SEM-EDS, 63 samples analysed) and laser ablation – inductively coupled plasma – mass spectrometry (LA-ICP-MS, 41 samples analysed). Among the glass fragments analysed, dark brown, dark purple and dark green hues could be distinguished. Only among the dark green fragments could a clear compositional distinction be observed between fragments dated to the periods before and after ad 150. In the early samples (first century bc to first century ad), iron, responsible for the green hue, was introduced by using impure sand containing relatively high amounts of Ti. In contrast, a Ti-poor source of iron was employed, containing Sb, Co and Pb in trace quantities, in order to obtain the dark green colour in the later glass samples. The analytical results obtained by combining SEM-EDS and LA-ICP-MS are therefore consistent with a differentiation of glassmaking recipes, detectable in glass composition, occurring in the period around ad 150. |
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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 |
000269728600009 |
Publication Date |
2008-11-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-813x; 1475-4754 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.47 |
Times cited |
39 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.47; 2009 IF: 1.355 |
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Call Number |
UA @ admin @ c:irua:94510 |
Serial |
5568 |
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| Permanent link to this record |
