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Author Hamon, A.-L.; Verbeeck, J.; Schryvers, D.; Benedikt, J.; van den Sanden, R.M.C.M.
Title ELNES study of carbon K-edge spectra of plasma deposited carbon films Type A1 Journal article
Year 2004 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 14 Issue Pages 2030-2035
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Electron energy loss spectroscopy was used to investigate the bonding of plasma deposited carbon films. The experimental conditions include the use of a specific collection angle for which the shape of the spectra is free of the orientation dependency usually encountered in graphite due to its anisotropic structure. The first quantification process of the energy loss near-edge structure was performed by a standard fit of the collected spectrum, corrected for background and multiple scattering, with three Gaussian functions followed by a comparison with the graphite spectrum obtained under equivalent experimental conditions. In a second approach a fitting model directly incorporating the background subtraction and multiple scattering removal was applied. The final numerical results are interpreted in view of the deposition conditions of the films and the actual fitting procedure with the related choice of parameters.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000222312500017 Publication Date 2004-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.626 Times cited 61 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:48782UA @ admin @ c:irua:48782 Serial 1025
Permanent link to this record
 
 
Author Delvaux, A.; Lumbeeck, G.; Idrissi, H.; Proost, J.
Title Effect of microstructure and internal stress on hydrogen absorption into Ni thin film electrodes during alkaline water electrolysis Type A1 Journal article
Year 2020 Publication Electrochimica Acta Abbreviated Journal Electrochim Acta
Volume 340 Issue Pages 135970-10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Efforts to improve the cell efficiency of hydrogen production by water electrolysis continue to address the electrochemical kinetics of the oxygen and hydrogen evolution reactions in detail. The objective of this work is to study a parasitic reaction occurring during the hydrogen evolution reaction (HER), namely the absorption of hydrogen atoms into the bulk electrode. Effects of the electrode microstructure and internal stress on this reaction have been addressed as well in this paper. Ni thin film samples were deposited on a Si substrate by sputter deposition with different deposition pressures, resulting in different microstructures and varying levels of internal stress. These microstructures were first analyzed in detail by Transmission Electron Microscopy (TEM). Cathodic chrono-amperometric measurements and cyclic voltammetries have then been performed in a homemade electrochemical cell. These tests were coupled to a multi-beam optical sensor (MOS) in order to obtain in-situ curvature measurements during hydrogen absorption. Indeed, since hydrogen absorption in the thin film geometry results in a constrained volume expansion, internal stress generation during HER can be monitored by means of curvature measurements. Our results show that different levels of internal stress, grain size and twin boundary density can be obtained by varying the deposition parameters. From an electrochemical point of view, this paper highlights the fact that the electrochemical surface mechanisms during HER are the same for all the electrodes, regardless of their microstructure. However it is shown that the absolute amount of hydrogen being absorbed into the Ni thin films increases when the grain size is reduced, due to a higher grain boundaries density which are favourite absorption sites for hydrogen. At the same time, it was concluded that H-2 evolution is favoured at electrodes having a more compressive (i.e. a less tensile) internal stress. Finally, the subtle effect of microstructure on the hydrogen absorption rate will be discussed as well. (C) 2020 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000521531800011 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.6 Times cited 2 Open Access Not_Open_Access
Notes ; The authors gratefully acknowledge financial support of the Public Service of Wallonia e Department of Energy and Sustainable Building, through the project WallonHY. The ACOM-TEM work was supported by the Hercules Foundation [Grant No. AUHA13009], the Flemish Research Fund (FWO) [Grant No. G.0365.15 N], and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. We also like to cordially thank Ronny Santoro for carrying out the ICP-OES measurements. ; Approved Most recent IF: 6.6; 2020 IF: 4.798
Call Number UA @ admin @ c:irua:168536 Serial 6497
Permanent link to this record
 
 
Author Annys, S.; Van Passel, S.; Dessein, J.; Adgo, E.; Nyssen, J.
Title From fast-track implementation to livelihood deterioration: The dam-based Ribb Irrigation and Drainage Project in Northwest Ethiopia Type A1 Journal article
Year 2020 Publication Agricultural Systems Abbreviated Journal Agr Syst
Volume 184 Issue Pages 102909-102913
Keywords A1 Journal article; Engineering Management (ENM)
Abstract The 21st century revival of large-scale water resources development projects makes it important to keep assessing their impacts – preferably from an interdisciplinary perspective – in order to not repeat past mistakes and explore whether they could improve livelihood conditions for rural communities. In this study, costs and benefits of the World Bank-funded Ribb Irrigation and Drainage Project (RIDP) were investigated using a unique systems approach. The impact for farmers with different initial farming systems (rainfed – residual moisture – irrigated) was studied using field observations, document analyses, remote sensing, agronomic data and semi-structured interviews (n = 165). Data on project-induced changes to land and water availability, cropping patterns, farming systems and farm-level economics were collected. The results show that dam and dyke construction has reduced flooding, which has resulted in declining rice productivity ( – 42%) and concomitant shifts to lower value cropping systems. Results also reveal that the land redistribution has caused widespread livelihood deterioration as households had to give up 25% of their farmland and the communal grazing land was fully converted into farmland. Due to top-down implementation, nontransparent communication, delayed construction and lagging financial compensation, social resistance has appeared in the command area, impeding the construction works. In addition to these problems, if no rapid change to higher value crops can be realized, 20.5% of the farmers (those who already irrigate) will experience a loss of livelihood, 64.1% of the farmers (those with rainfed and residual moisture cultivation) will be on the verge of livelihood deterioration and only 13.5% of the farmers (those with solely rainfed cultivation) will enjoy RIDP-induced improved livelihoods. The fate of this project stresses the importance of investigating initial farming systems, exploring worthy project alternatives, improving participation, communication and benefit-sharing and strengthening the institutional capacity of implementing authorities.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000564756600013 Publication Date 2020-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.6 Times cited Open Access
Notes Approved Most recent IF: 6.6; 2020 IF: 2.571
Call Number UA @ admin @ c:irua:172030 Serial 6927
Permanent link to this record
 
 
Author Perreault, P.; Kummamuru, N.B.; Gonzalez Quiroga, A.; Lenaerts, S.
Title CO2 capture initiatives : are governments, society, industry and the financial sector ready? Type A1 Journal article
Year 2022 Publication Current Opinion in Chemical Engineering Abbreviated Journal Curr Opin Chem Eng
Volume 38 Issue Pages 100874
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract The deployment of CCUS plants does not match the enormous requirements to meet the CO2 emission reductions fixed during the Paris agreement, and we must ask ourselves what is refraining the technology deployment, especially in light of the recent high CO2 prices. Owing to the higher costs than their fossil counterparts, Carbon Capture & Utilization represents a long-term solution. In addition to a gigantic scale-up effort even for the most mature Carbon Capture & Storage (CCS) technologies, various factors are responsible for the slow roll-out of CCS projects. Luckily, the financial sector and governments are playing their role. Support from the public is however key, and an open communication is required to convert social tolerance into social acceptance.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000885329800001 Publication Date 2022-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-3398 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6
Call Number UA @ admin @ c:irua:191272 Serial 7137
Permanent link to this record
 
 
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.
Title OrBITS : label-free and time-lapse monitoring of patient derived organoids for advanced drug screening Type A1 Journal article
Year 2022 Publication Cellular Oncology (2211-3428) Abbreviated Journal Cell Oncol
Volume Issue Pages 1-16
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)
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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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000898426100001 Publication Date 2022-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-3428; 2211-3436 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6
Call Number UA @ admin @ c:irua:192698 Serial 7272
Permanent link to this record
 
 
Author Tampieri, F.; Espona-Noguera, A.; Labay, C.; Ginebra, M.-P.; Yusupov, M.; Bogaerts, A.; Canal, C.
Title Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate Type A1 Journal Article
Year 2023 Publication Biomaterials Science Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract In the last decades, non-thermal plasma has been extensively investigated as a relevant tool for various biomedical applications, ranging from tissue decontamination to regeneration and from skin treatment to tumor therapies. This high versatility is due to the different kinds and amount of reactive oxygen and nitrogen species that can be generated during a plasma treatment and put in contact with the biological target. Some recent studies report that solutions of biopolymers with the ability to generate hydrogels, when treated with plasma, can enhance the generation of reactive species and influence their stability, resulting thus in the ideal media for indirect treatments of biological targets. The direct effects of the plasma treatment on the structure of biopolymers in water solution, as well as the chemical mechanisms responsible for the enhanced generation of RONS, are not yet fully understood. In this study, we aim at filling this gap by investigating, on the one hand, the nature and extent of the modifications induced by plasma treatment in alginate solutions, and, on the other hand, at using this information to explain the mechanisms responsible for the enhanced generation of reactive species as a consequence of the treatment. The approach we use is twofold: (i) investigating the effects of plasma treatment on alginate solutions, by size exclusion chromatography, rheology and scanning electron microscopy and (ii) study of a molecular model (glucuronate) sharing its chemical structure, by chromatography coupled with mass spectrometry and by molecular dynamics simulations. Our results point out the active role of the biopolymer chemistry during direct plasma treatment. Short-lived reactive species, such as OH radicals and O atoms, can modify the polymer structure, affecting its functional groups and causing partial fragmentation. Some of these chemical modifications, like the generation of organic peroxide, are likely responsible for the secondary generation of long-lived reactive species such as hydrogen peroxide and nitrite ions. This is relevant in view of using biocompatible hydrogels as vehicles for storage and delivery reactive species for targeted therapies.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000973699000001 Publication Date 2023-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2047-4830 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.6 Times cited Open Access Not_Open_Access
Notes Agència de Gestió d’Ajuts Universitaris i de Recerca, SGR2022-1368 ; H2020 European Research Council, 714793 ; European Cooperation in Science and Technology, CA19110 CA20114 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, PID2019-103892RB-I00/AEI/10.13039/501100011033 ; We thank Gonzalo Rodríguez Cañada and Xavier Solé-Martí (Universitat Politècnica de Catalunya) for help in collecting some of the experimental data and for the useful discussions. This work has been primarily funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 714793). The authors acknowledge MINECO for PID2019103892RB-I00/AEI/10.13039/501100011033 project (CC). The authors belong to SGR2022-1368 (FT, AEN, CL, MPG, CC) and acknowledge Generalitat de Catalunya for the ICREA Academia Award for Excellence in Research of CC. We thank also COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. Approved Most recent IF: 6.6; 2023 IF: 4.21
Call Number PLASMANT @ plasmant @c:irua:196773 Serial 8794
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Author Almabadi, M.H.; Truta, F.M.; Adamu, G.; Cowen, T.; Tertis, M.; Alanazi, K.D.M.; Stefan, M.-G.; Piletska, E.; Kiss, B.; Cristea, C.; De Wael, K.; Piletsky, S.A.; Cruz, A.G.
Title Integration of smart nanomaterials for highly selective disposable sensors and their forensic applications in amphetamine determination Type A1 Journal article
Year 2023 Publication Electrochimica acta Abbreviated Journal
Volume 446 Issue Pages 142009-142010
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Screening drugs on the street and biological samples pose a challenge to law enforcement agencies due to existing detection methods and instrument limitations. Herein we present a graphene-assisted molecularly imprinted polymer nanoparticle-based sensor for amphetamine. These nanoparticles are electroactive by incorporating ferrocene in their structure. These particles act as specific actuators in electrochemical sensors, and the presence of a ferrocene redox probe embedded in the structure allows the detection of non-electroactive amphetamine. In a control approach, nanoparticles were covalently immobilised onto electrochemical sensors by drop-casting using silanes. Alternatively, nanoparticles were immobilised employing 3D printing and a graphene ink composite. The electrochemical performance of both approaches was evaluated. As a result, 3D printed nanoMIPs/graphene sensors displayed the highest selectivity in spiked human plasma, with sensitivity at 73 nA nM-1, LOD of 68 nM (RSD 2.4%) when compared to the silane drop cast electrodes. The main advantage of the optimised 3D printing technology is that it allows quantitative determination of amphetamine, a nonelectroactive drug, challenging to detect with conventional electrochemical sensors. In addition, the costefficient 3D printing method makes these sensors easy to manufacture, leading to robust, highly selective and sensitive sensors. As proof of concept, sensors were evaluated on the street specimens and clinically relevant samples and successfully validated using UPLC-MS.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000953087600001 Publication Date 2023-02-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.6; 2023 IF: 4.798
Call Number UA @ admin @ c:irua:196145 Serial 8888
Permanent link to this record
 
 
Author Rabani, I.; Tahir, M.S.; Nisar, S.; Parrilla, M.; Truong, H.B.; Kim, M.; Seo, Y.-S.
Title Fabrication of larger surface area of ZIF8@ZIF67 reverse core-shell nanostructures for energy storage applications Type A1 Journal article
Year 2024 Publication Electrochimica acta Abbreviated Journal
Volume 475 Issue Pages 143532-11
Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract The construction of uniform nanostructure with larger surface area electrodes is a huge challenge for the highvalue added energy storage application. Herein, we demonstrates ZIF67@ZIF8 (core-shell) and ZIF8@ZIF67 (reverse core-shell) nanostructures using a low-cost wet chemical route and used them as supercapacitors. Pristine ZIF-67 and ZIF-8 was used as reference electrodes. Benefiting from the synergistic effect between the ZIF8 and ZIF67, the ZIF8@ZIF67 exhibited the outstanding electrochemical consequences owing to its larger surface area with uniform hexagonal morphology. As optimized ZIF8@ZIF67 nanostructure displayed the highcapacity of 1521 F/g at 1 A/g of current density in a three-electrode assembly in 1 M KOH electrolyte compared with other as-fabricated electrodes. In addition, the ZIF8@ZIF67 nanostructure employed into the symmetric supercapacitors (SSCs) with 1 M KOH electrolyte in two-electrode setup and it exhibited still superior output including capacity (249.8 F/g at 1 A/g), remarkable repeatability (87 % over 10,000 GCD cycles) along with high energy and power density (61.2 Wh/kg & 1260 W/kg). The present study uncovers the relationship between the larger surface area and electrocatalyst performance, supporting an effective approach to prepare favorable materials for enhanced capacity, extended lifespan, and energy density.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001134022100001 Publication Date 2023-12-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 6.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.6; 2024 IF: 4.798
Call Number UA @ admin @ c:irua:202082 Serial 9036
Permanent link to this record
 
 
Author Minja, A.C.; Ag, K.R.; Raes, A.; Borah, R.; Verbruggen, S.W.
Title Recent progress in developing non-noble metal-based photocathodes for solar green hydrogen production Type A1 Journal article
Year 2024 Publication Current Opinion in Chemical Engineering Abbreviated Journal
Volume 43 Issue Pages 101000
Keywords A1 Journal article; Engineering sciences. Technology
Abstract Photocathodes play a vital role in photoelectrocatalytic water splitting by acting as catalysts for reducing protons to hydrogen gas when exposed to light. Recent advancements in photocathodes have focused on addressing the limitations of noble metal-based materials. These noble metal-based photocathodes rely on expensive and scarce metals such as platinum and gold as cocatalysts or ohmic back contacts, respectively, rendering the final system less sustainable and costly when applied at scale. This mini-review summarizes the important recent progress in the development of non-noble metal-based photocathodes and their performance in the hydrogen evolution reaction during photoelectrochemical (PEC) water splitting. These advancements bring non-noble metal-based photocathodes closer to their noble metal-based counterparts in terms of performance, thereby paving the way forward toward industrial-scale photoelectrolyzers or PEC cells for green hydrogen production.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001166826200001 Publication Date 2024-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-3398 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 6.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.6; 2024 IF: 3.403
Call Number UA @ admin @ c:irua:202625 Serial 9080
Permanent link to this record
 
 
Author Raes, A.; Minja, A.C.; Ag, K.R.; Verbruggen, S.W.
Title Recent advances in metal-doped defective TiO₂ for photocatalytic CO₂ conversion Type A1 Journal article
Year 2024 Publication Current Opinion in Chemical Engineering Abbreviated Journal
Volume 44 Issue Pages 101013-11
Keywords A1 Journal article; Engineering sciences. Technology
Abstract Introducing defects in TiO2-based photocatalytic materials is a promising strategy for improving light-driven CO2 reduction. However, defects such as oxygen vacancies are generally unstable. As a solution and to further enhance the photocatalytic activity, metal doping has been applied. This mini review aims to summarize recent progress in this particular field. Herein, we have classified metal-doped architectures into three different categories: single metal doping, alloy- and co-doping, and doping of morphologically nanoengineered TiO2−x substrates. The direct relationship between specific metals and product selectivity remains complex, as selectivity can vary significantly among seemingly similar materials. However, numerous methods do show promise in fine-tuning selectivity towards either CO or CH4. In terms of photocatalytic turnover, remarkable yields have been reported in isolated reports, but insufficient experimental data and divergent reaction conditions hamper a true comparison. This puts an emphasis on the need for standardized activity testing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2024-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2211-3398 ISBN Additional Links UA library record
Impact Factor (down) 6.6 Times cited Open Access
Notes Approved Most recent IF: 6.6; 2024 IF: 3.403
Call Number UA @ admin @ c:irua:204462 Serial 9221
Permanent link to this record
 
 
Author Chirumamilla, C.S.; Palagani, A.; Kamaraj, B.; Declerck, K.; Verbeek, M.W.C.; Ryabtsova, O.; De Bosscher, K.; Bougarne, N.; Ruttens, B.; Gevaert, K.; Houtman, R.; De Vos, W.H.; Joossens, J.; van der Veken, P.; Augustyns, K.; van Ostade, X.; Bogaerts, A.; De Winter, H.; Vanden Berghe, W.
Title Selective glucocorticoid receptor properties of GSK866 analogs with cysteine reactive warheads Type Administrative Services
Year 2017 Publication Frontiers in immunology Abbreviated Journal Front Immunol
Volume 8 Issue Pages 1324
Keywords Administrative Services; A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Medicinal Chemistry (UAMC)
Abstract Synthetic glucocorticoids (GC) are the mainstay therapy for treatment of acute and chronic inflammatory disorders. Due to the high adverse effects associated with long-term use, GC pharmacology has focused since the nineties on more selective GC ligand-binding strategies, classified as selective glucocorticoid receptor (GR) agonists (SEGRAs) or selective glucocorticoid receptor modulators (SEGRMs). In the current study, GSK866 analogs with electrophilic covalent-binding warheads were developed with potential SEGRA properties to improve their clinical safety profile for long-lasting topical skin disease applications. Since the off-rate of a covalently binding drug is negligible compared to that of a non-covalent drug, its therapeutic effects can be prolonged and typically, smaller doses of the drug are necessary to reach the same level of therapeutic efficacy, thereby potentially reducing systemic side effects. Different analogs of SEGRA GSK866 coupled to cysteine reactive warheads were characterized for GR potency and selectivity in various biochemical and cellular assays. GR- and NFκB-dependent reporter gene studies show favorable anti-inflammatory properties with reduced GR transactivation of two non-steroidal GSK866 analogs UAMC-1217 and UAMC-1218, whereas UAMC-1158 and UAMC-1159 compounds failed to modulate cellular GR activity. These results were further supported by GR immuno-localization and S211 phospho-GR western analysis, illustrating significant GR phosphoactivation and nuclear translocation upon treatment of GSK866, UAMC-1217, or UAMC-1218, but not in case of UAMC-1158 or UAMC-1159. Furthermore, mass spectrometry analysis of tryptic peptides of recombinant GR ligand-binding domain (LBD) bound to UAMC-1217 or UAMC-1218 confirmed covalent cysteine-dependent GR binding. Finally, molecular dynamics simulations, as well as glucocorticoid receptor ligand-binding domain (GR-LBD) coregulator interaction profiling of the GR-LBD bound to GSK866 or its covalently binding analogs UAMC-1217 or UAMC-1218 revealed subtle conformational differences that might underlie their SEGRA properties. Altogether, GSK866 analogs UAMC-1217 and UAMC-1218 hold promise as a novel class of covalent-binding SEGRA ligands for the treatment of topical inflammatory skin disorders.
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Corporate Author Thesis
Publisher Place of Publication Place of publication unknown Editor
Language Wos 000414136300001 Publication Date 2017-11-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1664-3224 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.429 Times cited 2 Open Access OpenAccess
Notes Approved Most recent IF: 6.429
Call Number UA @ lucian @ c:irua:146485 Serial 4750
Permanent link to this record
 
 
Author Samaee, V.; Sandfeld, S.; Idrissi, H.; Groten, J.; Pardoen, T.; Schwaiger, R.; Schryvers, D.
Title Dislocation structures and the role of grain boundaries in cyclically deformed Ni micropillars Type A1 Journal article
Year 2020 Publication Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 769 Issue Pages 138295
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Transmission electron microscopy and finite element-based dislocation simulations were combined to study the development of dislocation microstructures after cyclic deformation of single crystal and bicrystal Ni micropillars oriented for multi-slip. A direct correlation between large accumulation of plastic strain and the presence of dislocation cell walls in the single crystal micropillars was observed, while the presence of the grain boundary hampered the formation of wall-like structures in agreement with a smaller accumulated plastic strain. Automated crystallographic orientation and nanostrain mapping using transmission electron microscopy revealed the presence of lattice heterogeneities associated to the cell walls including long range elastic strain fields. By combining the nanostrain mapping with an inverse modelling approach, information about dislocation density, line orientation and Burgers vector direction was derived, which is not accessible otherwise in such dense dislocation structures. Simulations showed that the image forces associated with the grain boundary in this specific bicrystal configuration have only a minor influence on dislocation behavior. Thus, the reduced occurrence of “mature” cell walls in the bicrystal can be attributed to the available volume, which is too small to accommodate cell structures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000500373800018 Publication Date 2019-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited 1 Open Access OpenAccess
Notes Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N,SCHW855/5-1, and SA2292/2-1 is gratefully acknowledged. V.S. acknowledges the FWO research project G012012 N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). S.S. acknowledges financial support from the European Research Council through the ERC Grant Agreement No. 759419 (MuDiLingo – A Multiscale Dislocation Language for Data- Driven Materials Science). Approved Most recent IF: 6.4; 2020 IF: 3.094
Call Number EMAT @ emat @c:irua:163475 Serial 5371
Permanent link to this record
 
 
Author Yang, M.; Chen, H.; Orekhov, A.; Lu, Q.; Lan, X.; Li, K.; Zhang, S.; Song, M.; Kong, Y.; Schryvers, D.; Du, Y.
Title Quantified contribution of β″ and β′ precipitates to the strengthening of an aged Al–Mg–Si alloy Type A1 Journal article
Year 2020 Publication Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing Abbreviated Journal Mat Sci Eng A-Struct
Volume 774 Issue Pages 138776
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract It is generally believed that β00 precipitates, rather than β0 precipitates, are the major strengthening precipitates in

aged Al–Mg–Si alloys. The reason for this difference is not well understood. To clarify this, two samples of the

same Al–Mg–Si alloy but with different aging states were prepared. The under-aged sample only contains nanoprecipitates

of the β00 type, while the peak-aged one contains nearly equal volumes of β00 and β0 precipitates. We

have, for the first time, separated the strengthening effect of the contribution from βʺ and βʹ precipitates,

respectively, by an indirect approach based on high-precision measurements of volume fractions, number densities,

sizes, proportions of the precipitates, their lattice strains, the composition and grain size of the matrix. The

β0 precipitates, which take 45.6% of the total precipitate volume in the peak-aged sample, contribute to the entire

precipitation strengthening by only 31.6%. The main reason why they are less useful compared to β00 precipitates

has been found to be associated with their smaller lattice strains relative to the matrix, which is 0.99% versus

2.10% (for β00 ).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000514747200001 Publication Date 2019-12-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access OpenAccess
Notes National Natural Science Foundation of China, 51531009 51711530713 51501230 ; Central South University, 2018gczd033 ; Flemish Science Foundation, VS.026.18N ; Program for Guangdong Introducing Innovative and Entrepreneurial Teams, 2016ZT06G025 ; Guangdong Natural Science Foundation, 2017B030306014 ; Approved Most recent IF: 6.4; 2020 IF: 3.094
Call Number EMAT @ emat @c:irua:165290 Serial 5440
Permanent link to this record
 
 
Author Muhammad, S.; Wuyts, K.; Nuyts, G.; De Wael, K.; Samson, R.
Title Characterization of epicuticular wax structures on leaves of urban plant species and its association with leaf wettability Type A1 Journal article
Year 2020 Publication Urban Forestry & Urban Greening Abbreviated Journal Urban For Urban Gree
Volume 47 Issue 47 Pages 126557
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Epicuticular wax (EW) protects the plant’s integrity and acts as a barrier against biotic and abiotic stresses. The micro-structured three-dimensional EW’s and presence of leaf trichomes influence the wettability of a leaf surface. In this study, leaves of 96 perennial urban plant species were examined to determine an association between epicuticular wax structure (EWS) types and leaf wettability and investigate their seasonal variation. The EWS types were identified using Scanning Electron Microscopy (SEM), while leaf wettability was analyzed by measuring the drop contact angle (DCA) on both the abaxial and the adaxial sides of leaves collected from a common garden in June and September 2016. Four distinct EWS types namely thin film, platelets, crusts, and tubules were observed on leaves of investigated plant species in both June and September. The EWS types varied significantly between functional plant types and plant families in both June and September. In June, the abaxial DCA ranged from 56° to 147°, and the adaxial DCA ranged from 56° to 136°. In September, the abaxial DCA ranged from 54° to 130°, and the adaxial DCA ranged from 51° to 125°. The effect of time, leaf side, and EWS type on leaf wettability were significant. Plant species which showed a change in EWS type or clustering from June to September did not show a more pronounced reduction in DCA compared to those species which exhibited a constant EWS type. Findings from our study illustrate that DCA is not a good indicator in determining the different EWS types due to overlapping DCA intervals between the identified EWS types. However, the identified EWS types remained fairly stable throughout the in-leaf season and do not require repeated measurements for characterization.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000508389000028 Publication Date 2019-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-8667 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited 5 Open Access
Notes ; The research was funded by the Ontario Student Assistance Program (OSAP # 15103399). The SEM equipment was funded by FWO/Hercules. The authors acknowledge the help of the ENdEMIC group involved in the upkeep of the experimental site. The authors would like to thank the anonymous reviewers for their critical comments and constructive suggestions in improving the quality of the article. ; Approved Most recent IF: 6.4; 2020 IF: 2.113
Call Number UA @ admin @ c:irua:164906 Serial 5504
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Author Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G.
Title Growth mechanism of epitaxial SrTiO3 on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface Type A1 Journal article
Year 2020 Publication Journal Of Materials Chemistry C Abbreviated Journal J Mater Chem C
Volume 8 Issue 2 Pages 518-527
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000506852400036 Publication Date 2019-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited 12 Open Access OpenAccess
Notes ; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ; Approved Most recent IF: 6.4; 2020 IF: 5.256
Call Number UA @ admin @ c:irua:165672 Serial 6298
Permanent link to this record
 
 
Author Koch, K.; Ysebaert, T.; Denys, S.; Samson, R.
Title Urban heat stress mitigation potential of green walls: A review Type A1 Journal article
Year 2020 Publication Urban Forestry & Urban Greening Abbreviated Journal Urban For Urban Gree
Volume 55 Issue Pages 126843-13
Keywords A1 Journal article; Engineering sciences. Technology; Art; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Cities with resilience to climate change appear to be a vision of the future, but are inevitable to ensure the quality of life for citizens and to avoid an increase in civilian mortality. Urban green infrastructure (UGI), with the focus on vertical green, poses a beneficial mitigation and adaptation strategy for challenges such as climate change through cooling effects on building and street level. This review article explores recent literature regarding this considerable topic and investigates how green walls can be applied to mitigate this problem. Summary tables (see additional information) and figures are presented that can be used by policy makers and researchers to make informed decisions when installing green walls in built-up environments. At last, knowledge gaps are uncovered that need further investigation to exploit the benefits at its best.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000593921600001 Publication Date 2020-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-8667 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access
Notes Approved Most recent IF: 6.4; 2020 IF: 2.113
Call Number UA @ admin @ c:irua:172985 Serial 6650
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Author Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R.
Title Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties Type A1 Journal article
Year 2022 Publication ACS applied energy materials Abbreviated Journal
Volume 5 Issue 6 Pages 7538-7549
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000820418400001 Publication Date 2022-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4
Call Number UA @ admin @ c:irua:189666 Serial 7082
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Author Morsdorf, L.; Kashiwar, A.; Kübel, C.; Tasan, C.C.
Title Carbon segregation and cementite precipitation at grain boundaries in quenched and tempered lath martensite Type A1 Journal article
Year 2023 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal
Volume 862 Issue Pages 144369-21
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Tempering is widely applied to make carbon atoms beneficially rearrange in high strength steel microstructures after quenching; though the nano-scale interaction of carbon atoms with crystallographic defects is hard to experimentally observe. To improve, we investigate the redistribution of carbon atoms along martensite grain boundaries in a quenched and tempered low carbon steel. We observe the tempering-induced microstructural evolution by in-situ heating in a transmission electron microscope (TEM) and by compositional analysis through atom probe tomography (APT). Probe volumes for APT originate from a single martensite packet but in different tempering conditions, which is achieved via a sequential lift-out with in-between tempering treatments. The complementary use of TEM and APT provides crystallographic as well as chemical information on carbon segregation and subsequent carbide precipitation at martensite grain boundaries. The results show that the amount of carbon segregation to martensite grain boundaries is influenced by the boundary type, e.g. low-angle lath or high-angle block boundaries. Also, the growth behavior of cementite precipitates from grain boundary nucleation sites into neighboring martensite grains differs at low- and high-angle grain boundaries. This is due to the crystallographic constraints arising from the semi-coherent orientation relationship between cementite and adjacent martensite. We also show that slower quenching stabilizes thin retained austenite films between martensite grains because of enhanced carbon segregation during cooling. Finally, we demonstrate the effect of carbon redistribution along martensite grain boundaries on the mechanical properties. Here, we compare micro-scale Vickers hardness results from boundary-containing probe volumes to nanoindentation results from pure bulk martensite (boundary-free) probe volumes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000905165700001 Publication Date 2022-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4; 2023 IF: 3.094
Call Number UA @ admin @ c:irua:192279 Serial 7285
Permanent link to this record
 
 
Author Yedukondalu, N.; Pandey, T.; Roshan, S.C.R.
Title Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S Type A1 Journal article
Year 2023 Publication ACS applied energy materials Abbreviated Journal
Volume 6 Issue 4 Pages 2401-2411
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000929103700001 Publication Date 2023-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4; 2023 IF: NA
Call Number UA @ admin @ c:irua:195245 Serial 7300
Permanent link to this record
 
 
Author Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A.
Title Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries Type A1 Journal article
Year 2023 Publication ACS applied energy materials Abbreviated Journal ACS Appl. Energy Mater.
Volume 6 Issue 13 Pages 6956-6971
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001018266700001 Publication Date 2023-07-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access Not_Open_Access: Available from 24.12.2023
Notes Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 6.4; 2023 IF: NA
Call Number EMAT @ emat @c:irua:198160 Serial 8809
Permanent link to this record
 
 
Author Pandey, T.; Peeters, F.M.; Milošević, M.V.
Title High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity Type A1 Journal article
Year 2023 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal
Volume 11 Issue 33 Pages 11185-11194
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001041124900001 Publication Date 2023-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526; 2050-7534 ISBN Additional Links UA library record; WoS full record
Impact Factor (down) 6.4 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4; 2023 IF: 5.256
Call Number UA @ admin @ c:irua:198296 Serial 8821
Permanent link to this record
 
 
Author Zi, L.; Reynaert, S.; Nijs, I.; De Boeck, H.; Verbruggen, E.; Beemster, G.T.S.; Asard, H.; Abdelgawad, H.
Title Biochemical composition changes can be linked to the tolerance of four grassland species under more persistent precipitation regimes Type A1 Journal article
Year 2023 Publication Physiologia plantarum Abbreviated Journal
Volume 175 Issue 6 Pages e14083-13
Keywords A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change
Abstract Climate models suggest that the persistence of summer precipitation regimes (PRs) is on the rise, characterized by both longer dry and longer wet durations. These PR changes may alter plant biochemical composition and thereby their economic and ecological characteristics. However, impacts of PR persistence have primarily been studied at the community level, largely ignoring the biochemistry of individual species. Here, we analyzed biochemical components of four grassland species with varying sensitivity to PR persistence (Holcus lanatus, Phleum pratense, Lychnis flos-cuculi, Plantago lanceolata) along a range of increasingly persistent PRs (longer consecutive dry and wet periods) in a mesocosm experiment. The more persistent PRs decreased nonstructural sugars, whereas they increased lignin in all species, possibly reducing plant quality. The most sensitive species Lychnis seemed less capable of altering its biochemical composition in response to altered PRs, which may partly explain its higher sensitivity. The more tolerant species may have a more robust and dynamic biochemical network, which buffers the effects of changes in individual biochemical components on biomass. We conclude that the biochemical composition changes are important determinants for plant performance under increasingly persistent precipitation regimes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001108556200001 Publication Date 2023-11-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9317 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access
Notes Approved Most recent IF: 6.4; 2023 IF: 3.33
Call Number UA @ admin @ c:irua:202003 Serial 9190
Permanent link to this record
 
 
Author Van Oijstaeijen, W.; Finizola e Silva, M.; Back, P.; Collins, A.; Verheyen, K.; De Beelde, R.; Cools, J.; Van Passel, S.
Title The Nature Smart Cities business model : a rapid decision-support and scenario analysis tool to reveal the multi-benefits of green infrastructure investments Type Administrative Services
Year 2023 Publication Urban forestry & urban greening Abbreviated Journal
Volume 84 Issue Pages 127923-14
Keywords Administrative Services; A1 Journal article; Art; Engineering Management (ENM)
Abstract Incorporating natural spaces within urban areas has been shown to have multiple benefits. However, despite greening and adaptation strategies at different levels of government, progress remains slow with a lack of easy to use and comprehensive tools identified as key to overcoming this. This paper presents a co-designed tool with academic and local authority partners to demonstrate the ecosystem service benefits of small-scale urban green infrastructure projects. Through the tool, users can readily assess the impact of green infrastructure investments on the delivery of a selection of ecosystem services in the early stages of a project. Furthermore, the tool provides a standardised assessment of cultural ecosystem services' contributions, as well as offering a method to score spatial designs on the impact on habitat for biodiversity. Use of the tool is demonstrated using a pilot study in Kapelle, the Netherlands. The results set out an overview of the impacts of the spatial design on estimated ecosystem service delivery. They also show the tool's potential to add value in early project stages and as a planning and design tool, helping to maximise the benefits that can be achieved through green infrastructure design. Complementing these arguments with ball-park estimations on green infrastructure costs, the Nature Smart Cities Business Model aims to offer public sector officers the means to create a business case for green infrastructure measures, facilitating the translation from strategies to actual plans, thus benefitting green infrastructure implementation in the public realm.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000982199900001 Publication Date 2023-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-8667 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.4 Times cited Open Access
Notes Approved Most recent IF: 6.4; 2023 IF: 2.113
Call Number UA @ admin @ c:irua:196748 Serial 9235
Permanent link to this record
 
 
Author da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title Analytical study of the energy levels in bilayer graphene quantum dots Type A1 Journal article
Year 2014 Publication Carbon Abbreviated Journal Carbon
Volume 78 Issue Pages 392-400
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the four-band continuum model we derive a general expression for the infinite-mass boundary condition in bilayer graphene. Applying this new boundary condition we analytically calculate the confined states and the corresponding wave functions in a bilayer graphene quantum dot in the absence and presence of a perpendicular magnetic field. Our results for the energy spectrum show an energy gap between the electron and hole states at small magnetic fields. Furthermore the electron (e) and hole (h) energy levels corresponding to the K and K' valleys exhibit the E-K(e(h)) (m) = E-K'(e(h)) (m) symmetry, where m is the angular momentum quantum number. (C) 2014 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000341463900042 Publication Date 2014-07-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 35 Open Access
Notes ; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program Euro-GRAPHENE (project CONGRAN), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). We thank M. Ramezani Masir and M. Grujic for helpful comments and discussions. ; Approved Most recent IF: 6.337; 2014 IF: 6.196
Call Number UA @ lucian @ c:irua:119280 Serial 109
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Author Pierard, N.; Fonseca, A.; Colomer, J.-F.; Bossuot, C.; Benoit, J.-M.; Van Tendeloo, G.; Pirard, J.-P.; Nagy, J.B.
Title Ball milling effect on the structure of single-wall carbon nanotubes Type A1 Journal article
Year 2004 Publication Carbon Abbreviated Journal Carbon
Volume 42 Issue 8/9 Pages 1691-1697
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000221948000035 Publication Date 2004-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 133 Open Access
Notes Pai/Iuap P5/01 Approved Most recent IF: 6.337; 2004 IF: 3.331
Call Number UA @ lucian @ c:irua:54866 Serial 213
Permanent link to this record
 
 
Author Corthals, S.; van Noyen, J.; Geboers, J.; Vosch, T.; Liang, D.; Ke, X.; Hofkens, J.; Van Tendeloo, G.; Jacobs, P.; Sels, B.
Title The beneficial effect of CO2 in the low temperature synthesis of high quality carbon nanofibers and thin multiwalled carbon nanotubes from CH_{4} over Ni catalysts Type A1 Journal article
Year 2012 Publication Carbon Abbreviated Journal Carbon
Volume 50 Issue 2 Pages 372-384
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A low temperature chemical vapor deposition method is described for converting CH4 into high-quality carbon nanofibers (CNFs) using a Ni catalyst supported on either spinel or perovskite oxides in the presence of CO2. The addition of CO2 has a significant influence on CNF purity and stability, while the CNF diameter distribution is significantly narrowed. Ultimately, the addition of CO2 changes the CNF structure from fishbone fibers to thin multiwalled carbon nanotubes. A new in situ cooling principle taking into account dry reforming chemistry and thermodynamics is introduced to account for the structural effects of CO2.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000297397700004 Publication Date 2011-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 26 Open Access
Notes Iwt; Iap Approved Most recent IF: 6.337; 2012 IF: 5.868
Call Number UA @ lucian @ c:irua:93626 Serial 228
Permanent link to this record
 
 
Author Lu, Y.-G.; Turner, S.; Ekimov, E.A.; Verbeeck, J.; Van Tendeloo, G.
Title Boron-rich inclusions and boron distribution in HPHT polycrystalline superconducting diamond Type A1 Journal article
Year 2015 Publication Carbon Abbreviated Journal Carbon
Volume 86 Issue 86 Pages 156-162
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline boron-doped superconducting diamond, synthesized at high pressure and high temperature (HPHT) via a reaction of a single piece of crystalline boron with monolithic graphite, has been investigated by analytical transmission electron microscopy. The local boron distribution and boron environment have been studied by a combination of (scanning) transmission electron microscopy ((S)TEM) and spatially resolved electron energy-loss spectroscopy (EELS). High resolution TEM imaging and EELS elemental mapping have established, for the first time, the presence of largely crystalline diamond-diamond grain boundaries within the material and have evidenced the presence of substitutional boron dopants within individual diamond grains. Confirmation of the presence of substitutional B dopants has been obtained through comparison of acquired boron K-edge EELS fine structures with known references. This confirmation is important to understand the origin of superconductivity in polycrystalline B-doped diamond. In addition to the substitutional boron doping, boron-rich inclusions and triple-points, both amorphous and crystalline, with chemical compositions close to boron carbide B4C, are evidenced. (C) 2015 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000352922700019 Publication Date 2015-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 20 Open Access
Notes FWO; 246791 COUNTATOMS; 278510 VORTEX; Hercules ECASJO_; Approved Most recent IF: 6.337; 2015 IF: 6.196
Call Number c:irua:125994UA @ admin @ c:irua:125994 Serial 250
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Author Tikhomirov, A.S.; Sorokina, N.E.; Shornikova, O.N.; Morozov, V.A.; Van Tendeloo, G.; Avdeev, V.V.
Title The chemical vapor infiltration of exfoliated graphite to produce carbon/carbon composites Type A1 Journal article
Year 2011 Publication Carbon Abbreviated Journal Carbon
Volume 49 Issue 1 Pages 147-153
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Chemical vapor infiltration was used for the production of carbon/carbon composites based on exfoliated graphite and pyrolytic carbon Two different exfoliated graphites compacted to densities of 0 05-0 4 g/cm(3) were used as a preform The influence of the synthesis conditions (temperature, pressure, time etc) on the degree of infiltration, the pyrolytic carbon morphology and the C/C composite characteristics was examined using Raman spectroscopy, scanning electron microscopy and low-temperature nitrogen adsorption (C) 2010 Elsevier Ltd All rights reserved
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000284977500021 Publication Date 2010-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 7 Open Access
Notes Iap Approved Most recent IF: 6.337; 2011 IF: 5.378
Call Number UA @ lucian @ c:irua:99185 Serial 354
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Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A.
Title Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite Type A1 Journal article
Year 2009 Publication Carbon Abbreviated Journal Carbon
Volume 47 Issue 10 Pages 2501-2510
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000268429000025 Publication Date 2009-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 12 Open Access
Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 6.337; 2009 IF: 4.504
Call Number UA @ lucian @ c:irua:77973 Serial 638
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Author Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A.
Title A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation Type A1 Journal article
Year 2011 Publication Carbon Abbreviated Journal Carbon
Volume 49 Issue 3 Pages 1013-1017
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000286683500032 Publication Date 2010-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor (down) 6.337 Times cited 13 Open Access
Notes Approved Most recent IF: 6.337; 2011 IF: 5.378
Call Number UA @ lucian @ c:irua:85139 Serial 639
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