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Records |
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Author |
Zeegers, M.T.; Kadu, A.; van Leeuwen, T.; Batenburg, K.J. |
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Title |
ADJUST : a dictionary-based joint reconstruction and unmixing method for spectral tomography |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Inverse problems |
Abbreviated Journal |
Inverse Probl |
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Volume |
38 |
Issue |
12 |
Pages |
125002-125033 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Advances in multi-spectral detectors are causing a paradigm shift in x-ray computed tomography (CT). Spectral information acquired from these detectors can be used to extract volumetric material composition maps of the object of interest. If the materials and their spectral responses are known a priori, the image reconstruction step is rather straightforward. If they are not known, however, the maps as well as the responses need to be estimated jointly. A conventional workflow in spectral CT involves performing volume reconstruction followed by material decomposition, or vice versa. However, these methods inherently suffer from the ill-posedness of the joint reconstruction problem. To resolve this issue, we propose 'A Dictionary-based Joint reconstruction and Unmixing method for Spectral Tomography' (ADJUST). Our formulation relies on forming a dictionary of spectral signatures of materials common in CT and prior knowledge of the number of materials present in an object. In particular, we decompose the spectral volume linearly in terms of spatial material maps, a spectral dictionary, and the indicator of materials for the dictionary elements. We propose a memory-efficient accelerated alternating proximal gradient method to find an approximate solution to the resulting bi-convex problem. From numerical demonstrations on several synthetic phantoms, we observe that ADJUST performs exceedingly well compared to other state-of-the-art methods. Additionally, we address the robustness of ADJUST against limited and noisy measurement patterns. The demonstration of the proposed approach on a spectral micro-CT dataset shows its potential for real-world applications. Code is available at https://github.com/mzeegers/ADJUST. |
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Place of Publication |
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Editor |
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Wos |
000868885200001 |
Publication Date |
2022-09-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0266-5611 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.1 |
Times cited |
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Open Access |
Not_Open_Access |
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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:191536 |
Serial |
7280 |
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Author |
Kovács, A.; Yusupov, M.; Cornet, I.; Billen, P.; Neyts, E.C. |
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Title |
Effect of natural deep eutectic solvents of non-eutectic compositions on enzyme stability |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Journal Of Molecular Liquids |
Abbreviated Journal |
J Mol Liq |
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Volume |
366 |
Issue |
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Pages |
120180-17 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Natural deep eutectic solvents (NADES) represent a green alternative to common organic solvents in the biochemical industry due to their benign behavior and tailorable properties, in particular as media for enzymatic reactions. However, to fully exploit their potential in enzymatic reactions, there is a need for a more fundamental understanding of how these neoteric solvents influence the course of these reac-tions. Thus, the aim of this study is to investigate the influence of NADES with various molar composi-tions on the stability and structure of enzymes, applying molecular dynamics simulations. This can help to better understand the effect of individual compounds of NADES, in addition to eutectic mixtures. More specifically, we simulate the behavior of Candida antarctica lipase B (CALB) enzyme in NADES com-posed of choline chloride with either urea, ethylene glycol or glycerol. Hereto, we monitor the NADES microstructure, the general stability of the enzyme and changes in the structure of its active sites and sur-face residues. Our simulations show that none of the studied NADES systems significantly disrupt the microstructure of the solvent or the stability of the CALB enzyme within the time scales of the simula-tions. The enzyme preserves its initial structure, size and intra-chain hydrogen bonds in all investigated compositions and, for the first time reported, also in NADES with increased hydrogen bond donating com-pound ratios. As the main novelty, our results indicate that, in addition to the composition, the molar ratio can be an additional variable to fine-tune the physicochemical properties of NADES without altering the enzyme characteristics. These findings could facilitate the development and application of task -tailored NADES media for biocatalytic processes. (c) 2022 Elsevier B.V. All rights reserved. |
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Wos |
000865431800010 |
Publication Date |
2022-08-25 |
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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 |
0167-7322 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6 |
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Call Number |
UA @ admin @ c:irua:191538 |
Serial |
7265 |
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Author |
Jiang, J.; Milošević, M.V.; Wang, Y.-L.; Xiao, Z.-L.; Peeters, F.M.; Chen, Q.-H. |
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Title |
Field-free superconducting diode in a magnetically nanostructured superconductor |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review applied |
Abbreviated Journal |
Phys Rev Appl |
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Volume |
18 |
Issue |
3 |
Pages |
034064-34069 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A strong superconducting diode effect (SDE) is revealed in a thin superconducting film periodically nanostructured with magnetic dots. The SDE is caused by the current-activated dissipation mitigated by vortex-antivortex pairs (VAPs), which periodically nucleate under the dots, move and annihilate in the superconductor-eventually driving the system to the high-resistive state. Inversing the polarity of the applied current destimulates the nucleation of VAPs, the system remains superconducting up to far larger currents, leading to the pronounced diodic response. Our dissipative Ginzburg-Landau simulations detail the involved processes, and provide reliable geometric and parametric ranges for the experimental realiza-tion of such a nonvolatile superconducting diode, which operates in the absence of any applied magnetic field while being fluxonic by design. |
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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 |
000870234200001 |
Publication Date |
2022-09-23 |
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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 |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.6 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.6 |
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Call Number |
UA @ admin @ c:irua:191539 |
Serial |
7307 |
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Author |
Yu, Y.; Xie, X.; Liu, X.; Li, J.; Peeters, F.M.; Li, L. |
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Title |
Two-dimensional semimetal states in transition metal trichlorides : a first-principles study |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
121 |
Issue |
11 |
Pages |
112405-112407 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The two-dimensional (2D) transition metal trihalide (TMX3, X = Cl, Br, I) family has attracted considerable attention in recent years due to the realization of CrCl3, CrBr3, and CrI3 monolayers. Up to now, the main focus of the theoretically predicted TMX3 monolayers has been on the Chern insulator states, which can realize the quantum anomalous Hall effect. Here, using first-principles calculations, we theoretically demonstrate that the stable OsCl3 monolayer has a ferromagnetic ground state and a spin-polarized Dirac point without spin-orbit coupling (SOC), which disappears in the band structure of a Janus OsBr1.5Cl1.5 monolayer. We find that OsCl3 exhibits in-plane magnetization when SOC is included. By manipulating the magnetization direction along the C-2 symmetry axis of the OsCl3 structure, a gapless half-Dirac semimetal state with SOC can be achieved, which is different from the gapped Chern insulator state. Both semimetal states of OsCl3 monolayer without and with SOC exhibit a linear half-Dirac point (twofold degenerate) with high Fermi velocities. The achievement of the 2D semimetal state with SOC is expected to be found in other TMX3 monolayers, and we confirm it in a TiCl3 monolayer. This provides a different perspective to study the band structure with SOC of the 2D TMX3 family. |
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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 |
000863219400003 |
Publication Date |
2022-09-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4 |
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Call Number |
UA @ admin @ c:irua:191541 |
Serial |
7223 |
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Author |
Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Image-force barrier lowering in top- and side-contacted two-dimensional materials |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
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Volume |
198 |
Issue |
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Pages |
108458-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered. |
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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 |
000876289800003 |
Publication Date |
2022-09-22 |
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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 |
0038-1101 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.7 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 1.7 |
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Call Number |
UA @ admin @ c:irua:191556 |
Serial |
7312 |
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Author |
Le, T.-S.; Nguyen, P.-D.; Ngo, H.H.; Bui, X.-T.; Dang, B.-T.; Diels, L.; Bui, H.-H.; Nguyen, M.-T.; Le Quang, D.-T. |
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Title |
Two-stage anaerobic membrane bioreactor for co-treatment of food waste and kitchen wastewater for biogas production and nutrients recovery |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Chemosphere |
Abbreviated Journal |
Chemosphere |
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Volume |
309 |
Issue |
1 |
Pages |
136537-136539 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Co-digestion of organic waste and wastewater is receiving increased attention as a plausible waste management approach toward energy recovery. However, traditional anaerobic processes for co-digestion are particularly susceptible to severe organic loading rates (OLRs) under long-term treatment. To enhance technological feasi-bility, this work presented a two-stage Anaerobic Membrane Bioreactor (2 S-AnMBR) composed of a hydrolysis reactor (HR) followed by an anaerobic membrane bioreactor (AnMBR) for long-term co-digestion of food waste and kitchen wastewater. The OLRs were expanded from 4.5, 5.6, and 6.9 kg COD m- 3 d-1 to optimize biogas yield, nitrogen recovery, and membrane fouling at ambient temperatures of 25-32 degrees C. Results showed that specific methane production of UASB was 249 +/- 7 L CH4 kg-1 CODremoved at the OLR of 6.9 kg TCOD m- 3 d-1. Total Chemical Oxygen Demand (TCOD) loss by hydrolysis was 21.6% of the input TCOD load at the hydraulic retention time (HRT) of 2 days. However, low total volatile fatty acid concentrations were found in the AnMBR, indicating that a sufficiently high hydrolysis efficiency could be accomplished with a short HRT. Furthermore, using AnMBR structure consisting of an Upflow Anaerobic Sludge Blanket Reactor (UASB) followed by a side -stream ultrafiltration membrane alleviated cake membrane fouling. The wasted digestate from the AnMBR comprised 42-47% Total Kjeldahl Nitrogen (TKN) and 57-68% total phosphorous loading, making it suitable for use in soil amendments or fertilizers. Finally, the predominance of fine particles (D10 = 0.8 mu m) in the ultra -filtration membrane housing (UFMH) could lead to a faster increase in trans-membrane pressure during the filtration process. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000866470600004 |
Publication Date |
2022-09-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0045-6535; 1879-1298 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.8 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 8.8 |
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Call Number |
UA @ admin @ c:irua:191557 |
Serial |
7347 |
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Author |
Samal, S.K.; Soenen, S.; Puppi, D.; De Wael, K.; Pati, S.; De Smedt, S.; Braeckmans, K.; Dubruel, P. |
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Title |
Bio-nanohybrid gelatin/quantum dots for cellular imaging and biosensing applications |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
International journal of molecular sciences |
Abbreviated Journal |
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Volume |
23 |
Issue |
19 |
Pages |
11867-12 |
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Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The bio-nanohybrid gelatin protein/cadmium sulfide (Gel/CdS) quantum dots (QDs) have been designed via a facile one-pot strategy. The amino acids group of gelatin chelate Cd2+ and grow CdS QDs without any agglomeration. The H-1 NMR spectra indicate that during the above process there are no alterations of the gelatin protein structure conformation and chemical functionalities. The prepared Gel/CdS QDs were characterized and their potential as a system for cellular imaging and the electrochemical sensor for hydrogen peroxide (H2O2) detection applications were investigated. The obtained results demonstrate that the developed Gel/CdS QDs system could offer a simple and convenient operating strategy both for the class of contrast agents for cell labeling and electrochemical sensors purposes. |
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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 |
000867759600001 |
Publication Date |
2022-10-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1422-0067; 1661-6596 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:191566 |
Serial |
8836 |
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Author |
Chen, H.; Xu, J.; Wang, Y.; Wang, D.; Ferrer-Espada, R.; Wang, Y.; Zhou, J.; Pedrazo-Tardajos, A.; Yang, M.; Tan, J.-H.; Yang, X.; Zhang, L.; Sychugov, I.; Chen, S.; Bals, S.; Paulsson, J.; Yang, Z. |
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Title |
Color-switchable nanosilicon fluorescent probes |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
16 |
Issue |
9 |
Pages |
15450-15459 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Fluorescent probes are vital to cell imaging by allowing specific parts of cells to be visualized and quantified. Color-switchable probes (CSPs), with tunable emission wavelength upon contact with specific targets, are particularly powerful because they not only eliminate the need to wash away all unbound probe but also allow for internal controls of probe concentrations, thereby facilitating quantification. Several such CSPs exist and have proven very useful, but not for all key cellular targets. Here we report a pioneering CSP for in situ cell imaging using aldehydefunctionalized silicon nanocrystals (SiNCs) that switch their intrinsic photoluminescence from red to blue quickly when interacting with amino acids in live cells. Though conventional probes often work better in cell-free extracts than in live cells, the SiNCs display the opposite behavior and function well and fast in universal cell lines at 37 ? while requiring much higher temperature in extracts. Furthermore, the SiNCs only disperse in cytoplasm not nucleus, and their fluorescence intensity correlated linearly with the concentration of fed amino acids. We believe these nanosilicon probes will be promising tools to visualize distribution of amino acids and potentially quantify amino acid related processes in live cells. |
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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 |
000861080700001 |
Publication Date |
2022-09-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
17.1 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
Z.Y. and H.C. acknowledge the funding support from the National Natural Science Foundation of China (21905316, 22175201) , the Science and Technology Planning Project of Guangdong Province (2019A050510018) , the Pearl River Recruitment Program of Talent (2019QN01C108) , the EU Infrastructure Project EUSMI (Grant No. E190700310) , and Sun Yat-sen University. S.C. acknowledge the funding support from the National Natural Science Foundation of China (32171192) . D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (Grant No. 894254 SuprAtom) . S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by means of the grant agreement No. 731019 (EUSMI) and the ERC Consolidator Grant No. 815128 (REALNANO) . J.Z. acknowledged the funding support from the China Scholarship Council (CSC) . L.Z and J.X. thank Huzhou Li-in Biotechnology Co., Ltd. for the instrumentational and financial support. J.X. and R.F.-E. appreciate fruitful discussion with Dr. Emanuele Leoncini and Dr. Noah Olsman. J.X. and R.F.-E. also thank Mr. Daniel Eaton and Mr. Carlos Sanchez for their help with microscope setups. |
Approved |
Most recent IF: 17.1 |
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Call Number |
UA @ admin @ c:irua:191574 |
Serial |
7288 |
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| Permanent link to this record |
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Author |
Cai, J.; Griffin, E.; Guarochico-Moreira, V.H.; Barry, D.; Xin, B.; Yagmurcukardes, M.; Zhang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M. |
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Title |
Wien effect in interfacial water dissociation through proton-permeable graphene electrodes |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Nature communications |
Abbreviated Journal |
Nat Commun |
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Volume |
13 |
Issue |
1 |
Pages |
5776-5777 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Strong electric fields can accelerate molecular dissociation reactions. The phenomenon known as the Wien effect was previously observed using high-voltage electrolysis cells that produced fields of about 10(7) V m(-1), sufficient to accelerate the dissociation of weakly bound molecules (e.g., organics and weak electrolytes). The observation of the Wien effect for the common case of water dissociation (H2O reversible arrow H+ + OH-) has remained elusive. Here we study the dissociation of interfacial water adjacent to proton-permeable graphene electrodes and observe strong acceleration of the reaction in fields reaching above 10(8) V m(-1). The use of graphene electrodes allows measuring the proton currents arising exclusively from the dissociation of interfacial water, while the electric field driving the reaction is monitored through the carrier density induced in graphene by the same field. The observed exponential increase in proton currents is in quantitative agreement with Onsager's theory. Our results also demonstrate that graphene electrodes can be valuable for the investigation of various interfacial phenomena involving proton transport. |
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Corporate Author |
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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 |
000862552600012 |
Publication Date |
2022-10-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2041-1723 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
16.6 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 16.6 |
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Call Number |
UA @ admin @ c:irua:191575 |
Serial |
7228 |
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Author |
Montiel, F.N.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van Nuijs, A.L.N.; De Wael, K. |
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Title |
Electrochemical sensing of amphetamine-type stimulants (pre)-precursors to fight against the illicit production of synthetic drugs |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Electrochimica acta |
Abbreviated Journal |
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| |
Volume |
436 |
Issue |
|
Pages |
141446-11 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The illicit drug precursor market for the manufacture of amphetamine-type stimulants (ATS), mainly amphetamine, methamphetamine and methylenedioxymethamphetamine (MDMA), has emerged quickly in the last years. The evidence of a more complex and sophisticated drug market underlines the pressing need for new on-site methods to quickly detect precursors of synthetic drugs, with electrochemical analysis as a promising technique. Herein, the electrochemical fingerprints of ten common ATS precursors-3-oxo-2-phenylbutanenitrile (APAAN), 3-oxo-2-phenylbutanamide (APAA), methyl 3-oxo-2-phenylbutanoate (MAPA), benzyl methyl ketone (BMK), 1-(1,3-benzodioxol-5-yl)propan-2-one (PMK), ephedrine, pseudoephedrine, safrole, sassafras oil and piperonal- are reported for the first time. The electrochemical screening disclosed the redox inactivity of BMK, which is an essential starting material for the production of ATS. Therefore, the local derivatization of BMK at an electrode surface by reductive amination is presented as a feasible solution to enrich its electrochemical fingerprint. To prove that, the resulting mixture was analyzed using a set of chromatographic techniques to understand the reaction mechanism and to identify possible electrochemical active products. Two reaction products (i.e. methamphetamine and 1-phenylpropan-2-ol) were found and characterized using mass spectrometry and electrochemical methods. Subsequently, the optimization of the reaction parameters was carefully addressed to set the portable electrochemical sensing strategy. Ultimately, the analysis concept was validated for the qualitative identification of ATS precursors in seizures from a forensic institute. Overall, the electrochemical approach demonstrates to be a useful and affordable analytical tool for the early identification of ATS precursors to prevent trafficking and drug manufacture in clandestine laboratories. |
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000914833800003 |
Publication Date |
2022-10-27 |
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ISSN |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Times cited |
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Open Access |
OpenAccess |
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no |
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Call Number |
UA @ admin @ c:irua:191622 |
Serial |
8858 |
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Author |
Larraín, M. |
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Title |
Recycling of plastics : linking technical, economic and policy aspects of post-consumer plastic packaging |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
x, 165 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
The rise in plastic packaging production and disposal has encouraged the progress of recycling technologies and aroused policy discussion on how to increase recycling rates. However, the effect that these policy instruments will have on the development of the different recycling technologies has not been studied holistically yet. This dissertation explores how new and existing technologies will behave under the market and policy conditions observed at present and after the implementation of the policy instruments that are under discussion. The technologies that are analyzed in this thesis are mechanical recycling and thermochemical recycling of post-consumer polyolefin waste. Using a techno-economic assessment that takes into account the physical properties of the different plastic fractions and their contamination level, the study shows that both mechanical and thermochemical recycling can be profitable if oil prices remain steady or increase. Specifically, mechanical recycling will show better results than thermochemical recycling for plastic fractions with low contamination levels. On the contrary, thermochemical recycling is more profitable for fractions with a higher contamination level from which high-quality products cannot be obtained with mechanical recycling, such as PE films. Moreover, it demonstrates that besides the oil prices and sorted waste prices, waste purity and the plant capacity are the variables that influence more the net present value of thermochemical recycling and the labor cost and waste purity the ones of mechanical recycling. The thesis explores the dynamics between the stakeholders of the circular value chain and predicts the recycling rates under the implementation of several policy instruments. This is done with a supply chain equilibrium model, based on the extended producer responsibility scheme implemented in Flanders, that uses as an input the cost structures of mechanical and thermochemical recycling obtained from the techno-economic assessments. Direct interventions like recycled content standards, can decouple the recycling industry from the oil market, but in the long term, they may not present incentives to achieve recycling levels beyond the targeted amounts and thus limit technological innovation. On the contrary, economic interventions such as taxes, create economic incentives for recycling and allow fund collection from the government but leave the recycled levels dependent on external markets. Results also show that higher recycling rates does not necessarily mean better environmental performance. Therefore, when designing circular economy policies, policymakers should carefully analyze whether the intention is to increase circularity or improve the sustainability of the value chains. |
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UA library record |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:191730 |
Serial |
7366 |
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Author |
Thiruvottriyur Shanmugam, S. |
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Title |
Singlet oxygen-based photoelectrochemical detection of nucleic acids |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
217 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
MicroRNAs (miRNAs) are small oligonucleotides (18-25 bases) that play a key role in epigenetic regulation. Since the discovery of miRNAs in 1993, their role in biological processes has been extensively investigated. By now, it has been evidenced that monitoring and detection of miRNAs can improve (early) disease diagnosis. The existing diagnostic approaches have limitations such as the need for complex multistep protocols for sample preparation, analysis, data interpretation, high cost of equipment, the need for highly qualified personnel, and high laboratory standards. As opposed to this, point-of-care biosensors and chips aim to facilitate the procedure and avoid sending samples into centralized laboratories, which saves time, reduces the chance of sample degradation, and enables analysis of patient samples in remote areas, directly at home or primary and secondary care facilities (i.e. general practitioners and specialists). The latter is essential for therapy assessment and follow-up monitoring of patients with chronic diseases and cancer. Nevertheless, the development of such sensors is lagging compared to the projections of 10 – 20 years ago, mainly due to insufficient sensitivity, poor reproducibility, and the complexity of the sensors’ design reported in the research literature. This motivates the development of new detection strategies and technologies such as photoelectrochemical sensors that combine the best features of different sensing approaches. The primary concern when developing detection technologies for miRNA is the need for a highly sensitive and selective platform. This thesis explores a novel photoelectrochemical (PEC) method that is distinctive owing to its sensitive nature and simple and robust design. Firstly, we focused on the usage of recently emerging commercial gold-sputtered electrode systems for the detection of short nucleic acid with enzymatic amplification. Importantly, cleaning such electrodes is a challenge since the standard procedures known for regular disk electrodes such as polishing cannot be employed here, since it will damage the protective layer on the electrode. However, the electrodes can be washed and pretreated chemically and/or electrochemically. Thus, a procedure to effectively clean and modify the gold-sputtered electrode has been developed, resulting in high-performance gold-sputtered nucleic acid sensors. Next, the usage of molecular photosensitizers as an alternative to enzymatic amplification has been evaluated. We took advantage of the singlet oxygen production by photosensitizers upon photoexcitation, leading to a photocurrent response due to the singlet oxygen-induced (electro)chemical conversions. Following the demonstration of the detection strategy, the analytical performance of the sensing system was evaluated using magnetic beads-based nucleic acid assay on disposable electrode platforms, with a focus to enhance the sensitivity and robustness of the technique in detecting complementary nucleic acid targets. Following the fundamental evaluation of the singlet oxygen-based PEC detection of nucleic acids, we further optimized the assay and measurement parameters and employed the sensing strategy for a polymerase chain reaction-free (PCR-free) quantification of miRNAs related to prostate cancer. By successfully detecting and quantifying low-picomolar range concentrations (< 10 pM) in plasma samples from prostate cancer patients, we successfully showed the applicability of the novel sensing strategy. We have also compared and positioned the performance of our developed PEC strategy with an existing state-of-art technique, i.e. electrochemiluminescence (ECL). Our PEC strategy performed on par with ECL, both yielding low-picomolar detection limits in serum matrices, however quicker and cheaper than ECL. Owing to the versatility of this PEC technique, the final study explored its multiplexing capability. As a starting point in this branch of the research, we have investigated two possible ways for multiplexing. To perform multiple measurements at the same time, constructing calibration plots and quantifying unknown miRNA concentrations in patient samples at the same time, we have developed a high-throughput detection with 96X multi-channel electrode systems and in-house designed and constructed 96XLED illumination sources. Secondly, to detect more than one target miRNA in a single measurement, intra-vial multiplexing where the samples were analyzed for different targets in one vial was also explored. Altogether, this thesis presents the fundamentals, development and application of a novel PEC strategy for detecting short (< 25 bases) nucleic acid sequences, in particular, miRNA. With an aim to serve as a distinctive technique to function as a clinical testing platform without any need for PCR, this work adds value to the development of nucleic acid-based sensors for miRNAs and other short-stranded nucleic acid biomarkers, and benefits in the early detection of diseases like cancer. |
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UA library record |
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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:191753 |
Serial |
8931 |
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Author |
Hao, Y. |
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Title |
A joint experimental-modeling study of the structure and properties of functional molecular monolayers for the control of organic crystal growth |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xiii, 174 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Among all types of discovered crystals, those formed by organic molecules show the greatest diversity, which results from the intrinsic complexity of the organic molecules and the weak interactions between them. Even for a given compound, different crystal structures can exist. This feature is referred to as polymorphism in the modern crystallographic context and those different crystal forms are called polymorphs. In reality, the crystallization of organic molecules is often performed at the surface of a substrate, giving rise to heterogeneous crystallization. Except for the well-known catalyzing effects, the existence of substrates brings more possibilities to the polymorphic behaviors of organic molecules, promoting the formation of new polymorphs that are only stable in the vicinity of the substrates. For this reason, these new polymorphic forms are often described as substrate-induced polymorphs (SIPs). It is of great importance to understand the formation of SIPs for organic molecules as it has been reported that SIPs can show superior properties with respect to their bulk form counterparts. Up to now, most studies focus on the identifying and characterizing the presence of SIPs, which relies mainly on X-ray diffraction techniques. However, a detailed explanation about the origin of SIPs is still missing. In this work, we have combined several powerful experimental characterization techniques, including X-ray diffraction, transmission electron microscopy (TEM) and scanning tunneling microscopy (STM) in order to reach an integrated view over the formation of SIPs. These experimental studies are strongly supported by computational chemistry simulations, such as density functional theory and molecular dynamics. A big advantage of using atomistic simulations is that it enables the possibility to predict a priori the crystal structures of SIPs and to establish a posteriori the general rules for the formation of SIPs. In practice, this thesis employs state-of-art atomistic simulation approaches in order to bridge substrate-induced polymorphism with a conceptually-connected research area: the self-assembly of molecular networks (SAMNs), also called 2D crystallization. Unlike SIPs, which extend at least several molecular layers, SAMNs are composed of a single layer of molecules with ordered packing. Our simulations have enabled a more comprehensive understanding about the role of substrate during the formation of SIPs and we elucidate how the positional and orientational order of molecules propagates from the substrate to the upper 2D and even 3D crystal layers. In this way, a fundamental understanding of the substrate-induced crystallization is gained by connecting 2D and 3D crystallization using substrate-induced approaches. |
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Additional Links |
UA library record |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:191758 |
Serial |
7176 |
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Author |
Volders, J.; Elen, K.; Raes, A.; Ninakanti, R.; Kelchtermans, A.-S.; Sastre, F.; Hardy, A.; Cool, P.; Verbruggen, S.W.; Buskens, P.; Van Bael, M.K. |
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Title |
Sunlight-powered reverse water gas shift reaction catalysed by plasmonic Au/TiO₂ nanocatalysts : effects of Au particle size on the activity and selectivity |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
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Volume |
12 |
Issue |
23 |
Pages |
4153-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
This study reports the low temperature and low pressure conversion (up to 160 °C, p = 3.5 bar) of CO2 and H2 to CO using plasmonic Au/TiO2 nanocatalysts and mildly concentrated artificial sunlight as the sole energy source (up to 13.9 kW·m-2 = 13.9 suns). To distinguish between photothermal and non-thermal contributors, we investigated the impact of the Au nanoparticle size and light intensity on the activity and selectivity of the catalyst. A comparative study between P25 TiO2-supported Au nanocatalysts of a size of 6 nm and 16 nm displayed a 15 times higher activity for the smaller particles, which can only partially be attributed to the higher Au surface area. Other factors that may play a role are e.g., the electronic contact between Au and TiO2 and the ratio between plasmonic absorption and scattering. Both catalysts displayed ≥84% selectivity for CO (side product is CH4). Furthermore, we demonstrated that the catalytic activity of Au/TiO2 increases exponentially with increasing light intensity, which indicated the presence of a photothermal contributor. In dark, however, both Au/TiO2 catalysts solely produced CH4 at the same catalyst bed temperature (160 °C). We propose that the difference in selectivity is caused by the promotion of CO desorption through charge transfer of plasmon generated charges (as a non-thermal contributor). |
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Wos |
000896093900001 |
Publication Date |
2022-11-24 |
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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 |
2079-4991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.3 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5.3 |
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Call Number |
UA @ admin @ c:irua:191843 |
Serial |
7341 |
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Author |
Yao, W.; Niinemets, Ü.; Yao, W.; Gielis, J.; Schrader, J.; Yu, K.; Shi, P. |
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Title |
Comparison of two simplified versions of the Gielis equation for describing the shape of bamboo leaves |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Plants |
Abbreviated Journal |
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Volume |
11 |
Issue |
22 |
Pages |
3058-11 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Bamboo is an important component in subtropical and tropical forest communities. The plant has characteristic long lanceolate leaves with parallel venation. Prior studies have shown that the leaf shapes of this plant group can be well described by a simplified version (referred to as SGE-1) of the Gielis equation, a polar coordinate equation extended from the superellipse equation. SGE-1 with only two model parameters is less complex than the original Gielis equation with six parameters. Previous studies have seldom tested whether other simplified versions of the Gielis equation are superior to SGE-1 in fitting empirical leaf shape data. In the present study, we compared a three-parameter Gielis equation (referred to as SGE-2) with the two-parameter SGE-1 using the leaf boundary coordinate data of six bamboo species within the same genus that have representative long lanceolate leaves, with >300 leaves for each species. We sampled 2000 data points at approximately equidistant locations on the boundary of each leaf, and estimated the parameters for the two models. The root–mean–square error (RMSE) between the observed and predicted radii from the polar point to data points on the boundary of each leaf was used as a measure of the model goodness of fit, and the mean percent error between the RMSEs from fitting SGE-1 and SGE-2 was used to examine whether the introduction of an additional parameter in SGE-1 remarkably improves the model’s fitting. We found that the RMSE value of SGE-2 was always smaller than that of SGE-1. The mean percent errors among the two models ranged from 7.5% to 20% across the six species. These results indicate that SGE-2 is superior to SGE-1 and should be used in fitting leaf shapes. We argue that the results of the current study can be potentially extended to other lanceolate leaf shapes. |
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000887783400001 |
Publication Date |
2022-11-14 |
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ISSN |
2223-7747 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:191859 |
Serial |
7289 |
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Author |
Wang, L.; Ratkowsky, D.A.; Gielis, J.; Ricci, P.E.; Shi, P. |
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Title |
Effects of the numerical values of the parameters in the Gielis equation on its geometries |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Symmetry |
Abbreviated Journal |
Symmetry-Basel |
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Volume |
14 |
Issue |
12 |
Pages |
2475-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The Lamé curve is an extension of an ellipse, the latter being a special case. Dr. Johan Gielis further extended the Lamé curve in the polar coordinate system by introducing additional parameters (n1, n2, n3; m): rφ=1Acosm4φn2+1Bsinm4φn3−1/n1, which can be applied to model natural geometries. Here, r is the polar radius corresponding to the polar angle φ; A, B, n1, n2 and n3 are parameters to be estimated; m is the positive real number that determines the number of angles of the Gielis curve. Most prior studies on the Gielis equation focused mainly on its applications. However, the Gielis equation can also generate a large number of shapes that are rotationally symmetric and axisymmetric when A = B and n2 = n3, interrelated with the parameter m, with the parameters n1 and n2 determining the shapes of the curves. In this paper, we prove the relationship between m and the rotational symmetry and axial symmetry of the Gielis curve from a theoretical point of view with the condition A = B, n2 = n3. We also set n1 and n2 to take negative real numbers rather than only taking positive real numbers, then classify the curves based on extremal properties of r(φ) at φ = 0, π/m when n1 and n2 are in different intervals, and analyze how n1, n2 precisely affect the shapes of Gielis curves. |
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Wos |
000904525700001 |
Publication Date |
2022-11-23 |
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ISSN |
2073-8994 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7 |
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Call Number |
UA @ admin @ c:irua:191860 |
Serial |
7301 |
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Author |
Yao, Y.; Ugras, T.J.; Meyer, T.; Dykes, M.; Wang, D.; Arbe, A.; Bals, S.; Kahr, B.; Robinson, R.D. |
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Title |
Extracting pure circular dichroism from hierarchically structured CdS magic cluster films |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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Volume |
16 |
Issue |
12 |
Pages |
20457-20469 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Chiroptically active, hierarchically structured materials are difficult to accurately characterize due to linear anisotropic contributions (i.e., linear dichroism (LD) and linear birefringence (LB)) and parasitic ellipticities that produce artifactual circular dichroism (CD) signals, in addition to chiral analyte contributions ranging from molecular-scale clusters to micron-sized assemblies. Recently, we have shown that CdS magic-sized clusters (MSC) can self-assemble into ordered films that have a hierarchical structure spanning seven orders of length-scale. These films have a strong CD response, but the chiral origins are obfuscated by the hierarchical architecture and LDLB contributions. Here, we derive and demonstrate a method for extracting the “pure” CD signal (CD generated by structural dissymmetry) from hierarchical MSC films and identified the chiral origin. The theory behind the method is derived using Mueller matrix and Stokes vector conventions and verified experimentally before being applied to hierarchical MSC and nanoparticle films with varying macroscopic orderings. Each film's extracted “true CD” shares a bisignate profile aligned with the exciton peak, indicating the assemblies adopt a chiral arrangement and form an exciton coupled system. Interestingly, the linearly aligned MSC film possesses one of the highest g-factors (0.05) among semiconducting nanostructures reported. Additionally, we find that films with similar electronic transition dipole alignment can possess greatly different g-factors, indicating chirality change rather than anisotropy is the cause of the difference in the CD signal. The difference in g-factor is controllable via film evaporation geometry. This study provides a simple means to measure “true” CD and presents an example of experimentally understanding chiroptic interactions in hierarchical nanostructures. |
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Wos |
000888219600001 |
Publication Date |
2022-11-17 |
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Abbreviated Series Title |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
17.1 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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Notes |
This work was supported in part by the National Science Foundation (NSF) under Award Nos. DMR-2003431 and CHE-2003586. This work made use of the Cornell Center for Materials Research Shared Facilities, which are supported through the NSF MRSEC program (DMR-1719875). This work is partly supported by Grant PID2021-123438NB-I00 (MCIN/AEI/10.13039/501100011033 and “ERDF vA way of making Europe”) and Grant IT1566-22 (Eusko Jaurlaritza). D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in the Horizon 2020 program (Grant 894254 SuprAtom). S.B. acknowledges financial support from ERC Consolidator Grant No. 815128 REALNANO. B.K. acknowledges NSF award DMR-2003968. We would like to thank Dr. Mark August Pfeifer for help with circular dichroism measurements. Additionally, we would like to thank Professor Luis M. Liz-Marzan for invaluable discussions on chirality. |
Approved |
Most recent IF: 17.1 |
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Call Number |
UA @ admin @ c:irua:192070 |
Serial |
7305 |
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Author |
Bal, K.M.; Neyts, E.C. |
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Title |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Journal Of Chemical Physics |
Abbreviated Journal |
J Chem Phys |
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Volume |
157 |
Issue |
18 |
Pages |
184113-10 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes. |
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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 |
000885260600002 |
Publication Date |
2022-11-14 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.4 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
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Approved |
Most recent IF: 4.4 |
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| |
Call Number |
UA @ admin @ c:irua:192076 |
Serial |
7266 |
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| Permanent link to this record |
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Author |
De Kerf, T.; Gestels, A.; Janssens, K.; Scheunders, P.; Steenackers, G.; Vanlanduit, S. |
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Title |
Quantitative detection of corrosion minerals in carbon steel using shortwave infrared hyperspectral imaging |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
RSC advances |
Abbreviated Journal |
Rsc Adv |
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| |
Volume |
12 |
Issue |
50 |
Pages |
32775-32783 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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| |
Abstract |
This study presents a novel method for the detection and quantification of atmospheric corrosion products on carbon steel. Using hyperspectral imaging (HSI) in the short-wave infrared range (SWIR) (900-1700 nm), we are able to identify the most common corrosion minerals such as: alpha-FeO(OH) (goethite), gamma-FeO(OH) (lepidocrocite), and gamma-Fe2O3 (maghemite). Six carbon steel samples were artificially corroded in a salt spray chamber, each sample with a different duration (between 1 h and 120 hours). These samples were analysed by scanning X-ray diffraction (XRD) and also using a SWIR HSI system. The XRD data is used as baseline data. A random forest regression algorithm is used for training on the combined XRD and HSI data set. Using the trained model, we can predict the abundance map based on the HSI images alone. Several image correlation metrics are used to assess the similarity between the original XRD images and the HSI images. The overall abundance is also calculated and compared for XRD and HSI images. The analysis results show that we are able to obtain visually similar images, with error rates ranging from 3.27 to 13.37%. This suggests that hyperspectral imaging could be a viable tool for the study of corrosion minerals. |
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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 |
000885554600001 |
Publication Date |
2022-11-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2046-2069 |
ISBN |
|
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 |
|
Approved |
Most recent IF: 3.9 |
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| |
Call Number |
UA @ admin @ c:irua:192085 |
Serial |
7334 |
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| Permanent link to this record |
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Author |
Spaeth, P.; Adhikari, S.; Heyvaert, W.; Zhuo, X.; Garcia, I.; Liz-Marzan, L.M.; Bals, S.; Orrit, M.; Albrecht, W. |
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Title |
Photothermal circular dichroism measurements of single chiral gold nanoparticles correlated with electron tomography |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS Photonics |
Abbreviated Journal |
Acs Photonics |
|
| |
Volume |
9 |
Issue |
12 |
Pages |
3995-4004 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Chemically synthesized metal nanoparticles with morphological chiral features are known to exhibit strong circular dichroism. However, we still lack understanding of the correlation between morphological and chiroptical features of plasmonic nanoparticles. To shed light on that question, single nanoparticle experiments are required. We performed photothermal circular dichroism measurements of single chiral and achiral gold nanoparticles and correlated the chiroptical response to the 3D morphology of the same nanoparticles retrieved by electron tomography. In contrast to an ensemble measurement, we show that individual particles within the ensemble display a broad distribution of strength and handedness of circular dichroism signals. Whereas obvious structural chiral features, such as helical wrinkles, translate into chiroptical ones, nanoparticles with less obvious chiral morphological features can also display strong circular dichroism signals. Interestingly, we find that even seemingly achiral nanoparticles can display large g-factors. The origin of this circular dichroism signal is discussed in terms of plasmonics and other potentially relevant factors. |
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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 |
000884432100001 |
Publication Date |
2022-11-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
2330-4022 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7 |
Times cited |
5 |
Open Access |
OpenAccess |
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| |
Notes |
This work was supported by The Netherlands Organisation for Scientific Research (NWO) as part of the Open Technology Program (OTP, Project No. 16008) and by a Spinoza prize (M.O.) . W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 Program (Grant No. 797153, SOPMEN) . L.M.L.M. acknowledges funding from MCIN/AEI/10.13039/501100011033 (Grants PID2020-117779RB-I00 and MDM-2017-0720) . We thank Dr. Wolfgang L?fer for providing optical equipment. We also acknowledge the European Soft Matter Infrastructure (EUSMI: E201200468) . |
Approved |
Most recent IF: 7 |
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| |
Call Number |
UA @ admin @ c:irua:192098 |
Serial |
7331 |
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| Permanent link to this record |
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Author |
Parzyszek, S.; Tessarolo, J.; Pedrazo-Tardajos, A.; Ortuno, A.M.; Baginski, M.; Bals, S.; Clever, G.H.; Lewandowski, W. |
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Title |
Tunable circularly polarized luminescence via chirality induction and energy transfer from organic films to semiconductor nanocrystals |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
16 |
Issue |
11 |
Pages |
18472-18482 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Circularly polarized luminescent (CPL) films with high dissymmetry factors hold great potential for optoelectronic applications. Herei n , we propose a strategy for achieving strongly dissymetric CPL in nanocomposite films based on chira l i t y induction and energy transfer to semiconductor nanocrystals. First, focusing on a purely organic system, aggregation-induced emission (AIE) and CPL activity of organic liquid crystals (LCs) forming helical nanofilaments was detected, featuring green emission with high dissymmetry factors g(lum) similar to 10(-2). The handedness of helical filaments, and thus the sign of CPL, was controlled via minute amounts of a small chiral organic dopant. Second, nanocomposite films were fabricated by incorporating InP/ZnS semi-conductor quantum dots (QDs) into the LC matri x , which induced the chiral assembly of QDs and endowed them with chiroptical properties. Due to the spectral matching of the components, energy transfer (ET) from LC to QDs was possible enabling a convenient way of tuning CPL wavelengths by varying the LC/QD ratio. As obtained, composite films exhibited absolute glum values up to similar to 10(-2) and thermally on/off switchable luminescence. Overall, we demonstrate the induction of chiroptical properties by the assembly of nonchiral building QDs on the chiral organic template and energy transfer from organic films to QDs, representing a simple and versatile approach to tune the CPL activity of organic materials. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000883943600001 |
Publication Date |
2022-11-07 |
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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 |
1936-0851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
17.1 |
Times cited |
10 |
Open Access |
OpenAccess |
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Notes |
W.L., S.P., and M.B. acknowledge support from the National Science Center Poland under the OPUS Grant UMO-2019/35/B/ST5/04488. J.T. and G.H.C. acknowledge the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy, Grant EXC 2033-390677874-RESOLV. W.L. acknowledges financial support from the European Commission under the Horizon 2020 Programme by Grant E210400529. S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by Grant 731019 (EUSMI) and ERC Consolidator Grant 815128 (REALNANO). We thank Elie Benchimol for his help with the CPL measurements. We thank Damian Pociecha for his help in the determination of phase sequences of organic compounds. |
Approved |
Most recent IF: 17.1 |
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| |
Call Number |
UA @ admin @ c:irua:192101 |
Serial |
7345 |
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| Permanent link to this record |
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Author |
dela Encarnacion, C.; Lenzi, E.; Henriksen-Lacey, M.; Molina, B.; Jenkinson, K.; Herrero, A.; Colas, L.; Ramos-Cabrer, P.; Toro-Mendoza, J.; Orue, I.; Langer, J.; Bals, S.; Jimenez de Aberasturi, D.; Liz-Marzan, L.M. |
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Title |
Hybrid magnetic-plasmonic nanoparticle probes for multimodal bioimaging |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
126 |
Issue |
45 |
Pages |
19519-19531 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Multimodal contrast agents, which take advantage of different imaging modalities, have emerged as an interesting approach to overcome the technical limitations of individual techniques. We developed hybrid nanoparticles comprising an iron oxide core and an outer gold spiky layer, stabilized by a biocompatible polymeric shell. The combined magnetic and optical properties of the different components provide the required functionalities for magnetic resonance imaging (MRI), surface-enhanced Raman scattering (SERS), and fluorescence imaging. The fabrication of such hybrid nanoprobes comprised the adsorption of small gold nanoparticles onto premade iron oxide cores, followed by controlled growth of spiky gold shells. The gold layer thickness and branching degree (tip sharpness) can be controlled by modifying both the density of Au nanoparticle seeds on the iron oxide cores and the subsequent nanostar growth conditions. We additionally demonstrated the performance of these hybrid multifunctional nanoparticles as multimodal contrast agents for correlative imaging of in vitro cell models and ex vivo tissues. |
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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 |
000883021700001 |
Publication Date |
2022-11-04 |
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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 |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.7 |
Times cited |
10 |
Open Access |
Not_Open_Access |
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Notes |
The authors acknowledge financial support from the European Research Council (ERC-AdG-2017, 787510) and MCIN/AEI/10.13039/501100011033 through grants PID2019-108854RA-I00 and Maria de Maeztu Unit of Excellence No. MDM-2017-0720. S.B. and K.J. acknowledge financial support from the European Commission under the Horizon 2020Programme by Grant No. 823717 (ESTEEM3) and ERC Consolidator Grant No. 815128 (REALNANO) . |
Approved |
Most recent IF: 3.7 |
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Call Number |
UA @ admin @ c:irua:192104 |
Serial |
7311 |
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| Permanent link to this record |
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Author |
Pandey, T.; Du, M.-H.; Parker, D.S.; Lindsay, L. |
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Title |
Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
Materials Today Physics |
Abbreviated Journal |
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| |
Volume |
28 |
Issue |
|
Pages |
100881-10 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelec-tronic materials, properties that are missing in their prominent lead-containing counterparts. Their large ther-mopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs2SnI6 and gamma-CsSnI3, two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (kappa l) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated kappa l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to kappa l, arising from wave like phonon tunneling, are important in both compounds. Overall, calculated kappa l with temperature-dependent inter-atomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow kappa l values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs2SnI6 and gamma-CsSnI3, respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications. |
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Corporate Author |
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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 |
000876484300002 |
Publication Date |
2022-10-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2542-5293 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.5 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 11.5 |
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Call Number |
UA @ admin @ c:irua:192139 |
Serial |
7329 |
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Author |
Gobato, Y.G.; de Brito, C.S.; Chaves, A.; Prosnikov, M.A.; Wozniak, T.; Guo, S.; Barcelos, I.D.; Milošević, M.V.; Withers, F.; Christianen, P.C.M. |
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Title |
Distinctive g-factor of Moire-confined excitons in van der Waals heterostructures |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
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| |
Volume |
22 |
Issue |
21 |
Pages |
8641-8641 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We investigated the valley Zeeman splitting of excitonic peaks in the microphotoluminescence (mu PL) spectra of high-quality hBN/WS2/MoSe2/hBN heterostructures under perpendicular magnetic fields up to 20 T. We identify two neutral exciton peaks in the mu PL spectra; the lower-energy peak exhibits a reduced g-factor relative to that of the higher energy peak and much lower than the recently reported values for interlayer excitons in other van der Waals (vdW) heterostructures. We provide evidence that such a discernible g-factor stems from the spatial confinement of the exciton in the potential landscape created by the moire pattern due to lattice mismatch or interlayer twist in heterobilayers. This renders magneto-mu PL an important tool to reach a deeper understanding of the effect of moire patterns on excitonic confinement in vdW heterostructures. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000877287800001 |
Publication Date |
2022-10-24 |
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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 |
1530-6984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.8 |
Times cited |
3 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 10.8 |
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Call Number |
UA @ admin @ c:irua:192166 |
Serial |
7298 |
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| Permanent link to this record |
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Author |
Seyedmohammadzadeh, M.; Sevik, C.; Guelseren, O. |
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Title |
Two-dimensional heterostructures formed by graphenelike ZnO and MgO monolayers for optoelectronic applications |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
6 |
Issue |
10 |
Pages |
104004-104013 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional heterostructures are an emerging class of materials for novel applications because of extensive engineering potential by tailoring intriguing properties of different layers as well as the ones arising from their interface. A systematic investigation of mechanical, electronic, and optical properties of possible heterostructures formed by bilayer structures graphenelike ZnO and MgO monolayers is presented. Different functionality of each layer makes these heterostructures very appealing for device applications. ZnO layer is convenient for electron transport in these structures, while MgO layer improves electron collection. At the outset, all of the four possible stacking configurations across the heterostructure are mechanically stable. In addition, stability analysis using phonon dispersion reveals that the AB stacking formed by placing the Mg atom on top of the O atom of the ZnO layer is also dynamically stable at zero temperature. Henceforth, we have investigated the optical properties of these stable heterostructures by applying many-body perturbation theory within the framework of GW approximation and solving the Bethe-Salpeter equation. It is demonstrated that strong excitonic effects reduce the optical band gap to the visible light spectrum range. These results show that this new two-dimensional form of ZnO/MgO heterostructures open an avenue for novel optoelectronic device applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000877514900005 |
Publication Date |
2022-10-24 |
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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 |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.4 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.4 |
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| |
Call Number |
UA @ admin @ c:irua:192167 |
Serial |
7346 |
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| Permanent link to this record |
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Author |
Lu, X.P.; Bruggeman, P.J.; Reuter, S.; Naidis, G.; Bogaerts, A.; Laroussi, M.; Keidar, M.; Robert, E.; Pouvesle, J.-M.; Liu, D.W.; Ostrikov, K.(K.) |
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Title |
Grand challenges in low temperature plasmas |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Frontiers in physics |
Abbreviated Journal |
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Volume |
10 |
Issue |
|
Pages |
1040658-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability. |
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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 |
000878212000001 |
Publication Date |
2022-10-14 |
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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 |
2296-424x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.1 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 3.1 |
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Call Number |
UA @ admin @ c:irua:192173 |
Serial |
7267 |
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Author |
Bellizotti Souza, J.C.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A. |
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Title |
Clogging, diode and collective effects of skyrmions in funnel geometries |
Type |
A1 Journal article |
| |
Year |
2022 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
24 |
Issue |
10 |
Pages |
103030-14 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using a particle-based model, we examine the collective dynamics of skyrmions interacting with a funnel potential under dc driving as the skyrmion density and relative strength of the Magnus and damping terms are varied. For driving in the easy direction, we find that increasing the skyrmion density reduces the average skyrmion velocity due to jamming of skyrmions near the funnel opening, while the Magnus force causes skyrmions to accumulate on one side of the funnel array. For driving in the hard direction, there is a critical skyrmion density below which the skyrmions become trapped. Above this critical value, a clogging effect appears with multiple depinning and repinning states where the skyrmions can rearrange into different clogged configurations, while at higher drives, the velocity-force curves become continuous. When skyrmions pile up near the funnel opening, the effective size of the opening is reduced and the passage of other skyrmions is blocked by the repulsive skyrmion-skyrmion interactions. We observe a strong diode effect in which the critical depinning force is higher and the velocity response is smaller for hard direction driving. As the ratio of Magnus force to dissipative term is varied, the skyrmion velocity varies in a non-linear and non-monotonic way due to the pile up of skyrmions on one side of the funnels. At high Magnus forces, the clogging effect for hard direction driving is diminished. |
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Wos |
000873333400001 |
Publication Date |
2022-10-04 |
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Series Issue |
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Edition |
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ISSN |
1367-2630 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.3 |
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Call Number |
UA @ admin @ c:irua:192178 |
Serial |
7287 |
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Author |
Bignoli, F.; Rashid, S.; Rossi, E.; Jaddi, S.; Djemia, P.; Terraneo, G.; Li Bassi, A.; Idrissi, H.; Pardoen, T.; Sebastiani, M.; Ghidelli, M. |
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Title |
Effect of annealing on mechanical properties and thermal stability of ZrCu/O nanocomposite amorphous films synthetized by pulsed laser deposition |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Materials & design |
Abbreviated Journal |
Mater Design |
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Volume |
221 |
Issue |
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Pages |
110972-10 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Binary ZrCu nanocomposite amorphous films are synthetized by pulsed laser deposition (PLD) under vac-uum (2 x 10-3 Pa) and 10 Pa He pressure, leading to fully amorphous compact and nanogranular mor-phologies, respectively. Then, post-thermal annealing treatments are carried out to explore thermal stability and crystallization phenomena together with the evolution of mechanical properties. Compact films exhibit larger thermal stability with partial crystallization phenomena starting at 420 degrees C, still to be completed at 550 degrees C, while nanogranular films exhibit early-stage crystallization at 300 degrees C and com-pleted at 485 degrees C. The microstructural differences are related to a distinct evolution of mechanical |
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Wos |
000886072100004 |
Publication Date |
2022-07-21 |
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Series Issue |
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Edition |
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ISSN |
0264-1275; 1873-4197 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 8.4 |
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Call Number |
UA @ admin @ c:irua:192194 |
Serial |
7299 |
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Author |
Penders, A.G. |
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Title |
Microstructural investigation of irradiation assisted stress corrosion cracking mechanisms based on focused ion beam analysis of tested and industrial specimens |
Type |
Doctoral thesis |
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Year |
2022 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
xxxviii, 226 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Irradiation assisted stress corrosion cracking (IASCC) is an intergranular cracking effect which can occur in heavily irradiated internal structural components of nuclear reactor cores. It is a complex phenomenon which is not yet fully understood because it occurs through an interplay of several material degradation processes. The factors that influence IASCC susceptibility include irradiation damage (neutrons and other irradiation particles stemming from the nuclear fission reaction), the operating temperature of the nuclear reactor, water corrosion, operating stresses, and the composition of materials susceptible to IASCC. Such materials are typically fabricated from austenitic stainless steels because of their relatively high strength, ductility, and fracture toughness. However, besides excellent metallurgical and corrosion resistant qualities, the operating conditions may still cause severe material degradation and component failure, which is extremely important for nuclear power plant safety and lifetime managements. Despite much accumulated data in the literature, both crack initiation and crack propagation mechanisms still need to be further elucidated. To that end, a probabilistic fracture model entitled the subcritical crack propagation (SCP) was recently developed, which assumes that the oxidized part of stainless steel in front of the crack plays an essential role in the crack initiation and crack propagation in sample failures. Still, despite a very good agreement with experimental observations, the SCP model but also other contemporary models favoured within the literature, require further experimental verification to what concerns the investigation of (IA)SCC. To that end, the main objective of this doctorate was to utilize experimental instrumentations like SEM, FIB-SEM and (S)TEM to conduct the investigation of the crack initiation and propagation processes in both tested and industrial specimens. Some of the investigated materials were retrieved within a nuclear reactor and are thus considered as unique test material to investigate the material degradation processes relevant for cracking. Other specimens were tailor-made to simulate the cracking processes of irradiated materials in otherwise un-irradiated materials. The newly acquired experimental results in this doctorate help rationalize existing models and methodologies used in the literature to analyse the IASCC failures of structural materials of reactor components. These results also facilitate in the development of predictive methodologies and mitigation strategies towards IASCC cracking and provide more information on IASCC from a microstructural perspective. |
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Additional Links |
UA library record |
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Impact Factor |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:192431 |
Serial |
7323 |
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Author |
Deben, C.; Cardenas De La Hoz, E.; Le Compte, M.; Van Schil, P.; Hendriks, J.M.H.; Lauwers, P.; Yogeswaran, S.K.; Lardon, F.; Pauwels, P.; van Laere, S.; Bogaerts, A.; Smits, E.; Vanlanduit, S.; Lin, A. |
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Title |
OrBITS : label-free and time-lapse monitoring of patient derived organoids for advanced drug screening |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Cellular Oncology (2211-3428) |
Abbreviated Journal |
Cell Oncol |
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Volume |
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Issue |
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Pages |
1-16 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE) |
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Abstract |
Background Patient-derived organoids are invaluable for fundamental and translational cancer research and holds great promise for personalized medicine. However, the shortage of available analysis methods, which are often single-time point, severely impede the potential and routine use of organoids for basic research, clinical practise, and pharmaceutical and industrial applications. Methods Here, we developed a high-throughput compatible and automated live-cell image analysis software that allows for kinetic monitoring of organoids, named Organoid Brightfield Identification-based Therapy Screening (OrBITS), by combining computer vision with a convolutional network machine learning approach. The OrBITS deep learning analysis approach was validated against current standard assays for kinetic imaging and automated analysis of organoids. A drug screen of standard-of-care lung and pancreatic cancer treatments was also performed with the OrBITS platform and compared to the gold standard, CellTiter-Glo 3D assay. Finally, the optimal parameters and drug response metrics were identified to improve patient stratification. Results OrBITS allowed for the detection and tracking of organoids in routine extracellular matrix domes, advanced Gri3D (R)-96 well plates, and high-throughput 384-well microplates, solely based on brightfield imaging. The obtained organoid Count, Mean Area, and Total Area had a strong correlation with the nuclear staining, Hoechst, following pairwise comparison over a broad range of sizes. By incorporating a fluorescent cell death marker, infra-well normalization for organoid death could be achieved, which was tested with a 10-point titration of cisplatin and validated against the current gold standard ATP-assay, CellTiter-Glo 3D. Using this approach with OrBITS, screening of chemotherapeutics and targeted therapies revealed further insight into the mechanistic action of the drugs, a feature not achievable with the CellTiter-Glo 3D assay. Finally, we advise the use of the growth rate-based normalised drug response metric to improve accuracy and consistency of organoid drug response quantification. Conclusion Our findings validate that OrBITS, as a scalable, automated live-cell image analysis software, would facilitate the use of patient-derived organoids for drug development and therapy screening. The developed wet-lab workflow and software also has broad application potential, from providing a launching point for further brightfield-based assay development to be used for fundamental research, to guiding clinical decisions for personalized medicine. |
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Wos |
000898426100001 |
Publication Date |
2022-12-12 |
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ISSN |
2211-3428; 2211-3436 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.6 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.6 |
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Call Number |
UA @ admin @ c:irua:192698 |
Serial |
7272 |
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