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| Author | Sleegers, N.; van Nuijs, A.L.N.; van den Berg, M.; De Wael, K. | ||||
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Electrochemistry of intact versus degraded cephalosporin antibiotics facilitated by LC–MS analysis | Type | A1 Journal article | ||
| Year | 2021 | Publication | Analytical Chemistry | Abbreviated Journal | Anal Chem |
| Volume | 93 | Issue | 4 | Pages | 2394-2402 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre | ||||
| Abstract | The electrochemical detection of cephalosporins is a promising approach for the monitoring of cephalosporin levels in process waters. However, this class of antibiotics, like penicillins, is composed of chemically active molecules and susceptible to hydrolysis and aminolysis of the four membered β-lactam ring present. In order to develop a smart monitoring strategy for cephalosporins, the influence of degradation (hydrolysis and aminolysis) on the electrochemical fingerprint has to be taken into account. Therefore, an investigation was carried out to understand the changes of the voltammetric fingerprints upon acidic and alkaline degradation. Changes in fingerprints were correlated to the degradation pathways through the combination of square wave voltammetry and liquid chromatography quadrupole time-of-flight analysis. The characteristic electrochemical signals of the β-lactam ring disappeared upon hydrolysis. Additional oxidation signals that appeared after degradation were elucidated and linked to different degradation products, and therefore, enrich the voltammetric fingerprints with information of the state of the cephalosporins. The applicability of the electrochemical monitoring system was explored by the analysis of the intact and degraded industrial process waters containing the key intermediate 7-aminodeacetoxycephalosporanic acid (7-ADCA). Clearly, the intact process samples exhibited the expected core signals of 7-ADCA and could be quantified, while the degraded samples only showed the newly formed degradation products. | ||||
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| Language | Wos | 000618089100063 | Publication Date | 2021-01-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.32 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 6.32 | |||
| Call Number | UA @ admin @ c:irua:176206 | Serial | 7864 | ||
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| Author | Schram, J.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van den Berg, J.; van Nuijs, A.L.N.; De Wael, K. | ||||
| Title |
Electrochemical profiling and liquid chromatography–mass spectrometry characterization of synthetic cathinones : from methodology to detection in forensic samples | Type | A1 Journal article | ||
| Year | 2021 | Publication | Drug Testing And Analysis | Abbreviated Journal | Drug Test Anal |
| Volume | 13 | Issue | 7 | Pages | 1282-1294 |
| Keywords | A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre | ||||
| Abstract | The emergence of new psychoactive drugs in the market demands rapid and accurate tools for the on‐site classification of illegal and legal compounds with similar structures. Herein, a novel method for the classification of synthetic cathinones (SC) is presented based on their electrochemical profile. First, the electrochemical profile of five common SC (i.e., mephedrone, ethcathinone, methylone, butylone and 4‐chloro‐alpha‐pyrrolidinovalerophenone) is collected to build calibration curves using square wave voltammetry on graphite screen‐printed electrodes (SPE). Second, the elucidation of the oxidation pathways, obtained by liquid chromatography‐high resolution mass spectrometry, allows the pairing of the oxidation products to the SC electrochemical profile, providing a selective and robust classification. Additionally, the effect of common adulterants and illicit drugs on the electrochemical profile of the SC is explored. Interestingly, a cathodic pretreatment of the SPE allows the selective detection of each SC in presence of electroactive adulterants. Finally, the electrochemical approach is validated with gas‐chromatography‐mass spectrometry by analyzing 26 confiscated samples from seizures and illegal webshops. Overall, the electrochemical method exhibits a successful classification of SC including structural derivatives, a crucial attribute in an ever‐diversifying drug market. | ||||
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| Language | Wos | 000624902500001 | Publication Date | 2021-02-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1942-7603; 1942-7611 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.469 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.469 | |||
| Call Number | UA @ admin @ c:irua:175583 | Serial | 7863 | ||
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| Author | De Paepe, J.; Clauwaert, P.; Gritti, M.C.; Ganigue, R.; Sas, B.; Vlaeminck, S.E.; Rabaey, K. | ||||
| Title |
Electrochemical in situ pH control enables chemical-free full urine nitrification with concomitant nitrate extraction | Type | A1 Journal article | ||
| Year | 2021 | Publication | Environmental Science & Technology | Abbreviated Journal | Environ Sci Technol |
| Volume | 55 | Issue | 12 | Pages | 8287-8298 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Urine is a valuable resource for nutrient recovery. Stabilization is, however, recommended to prevent urea hydrolysis and the associated risk for ammonia volatilization, uncontrolled precipitation, and malodor. This can be achieved by alkalinization and subsequent biological conversion of urea and ammonia into nitrate (nitrification) and organics into CO2. Yet, without pH control, the extent of nitrification is limited as a result of insufficient alkalinity. This study explored the feasibility of an integrated electrochemical cell to obtain on-demand hydroxide production through water reduction at the cathode, compensating for the acidification caused by nitritation, thereby enabling full nitrification. To deal with the inherent variability of the urine influent composition and bioprocess, the electrochemical cell was steered via a controller, modulating the current based on the pH in the bioreactor. This provided a reliable and innovative alternative to base addition, enabling full nitrification while avoiding the use of chemicals, the logistics associated with base storage and dosing, and the associated increase in salinity. Moreover, the electrochemical cell could be used as an in situ extraction and concentration technology, yielding an acidic concentrated nitrate-rich stream. The make-up of the end product could be tailored by tweaking the process configuration, offering versatility for applications on Earth and in space. | ||||
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| Language | Wos | 000663939900052 | Publication Date | 2021-06-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0013-936x; 1520-5851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.198 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.198 | |||
| Call Number | UA @ admin @ c:irua:179779 | Serial | 7862 | ||
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| Author | Dragan, A.-M.; Truta, F.M.; Tertis, M.; Florea, A.; Schram, J.; Cernat, A.; Feier, B.; De Wael, K.; Cristea, C.; Oprean, R. | ||||
| Title |
Electrochemical fingerprints of illicit drugs on graphene and multi-walled carbon nanotubes | Type | A1 Journal article | ||
| Year | 2021 | Publication | Frontiers In Chemistry | Abbreviated Journal | Front Chem |
| Volume | 9 | Issue | Pages | 641147 | |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Illicit drugs use and abuse remains an increasing challenge for worldwide authorities and, therefore, it is important to have accurate methods to detect them in seized samples, biological fluids and wastewaters. They are recently classified as the latest group of emerging pollutants as their consumption increased tremendously in recent years. Nanomaterials have gained much attention over the last decade in the development of sensors for a myriad of applications. The applicability of these nanomaterials, functionalized or not, significantly increases and it is therefore highly suitable for use in the detection of illicit drugs. We have assessed the suitability of various nanoplatforms, such as graphene (GPH), multi-walled carbon nanotubes (MWCNTs), gold nanoparticles (AuNPs) and platinum nanoparticles (PtNPs) for the electrochemical detection of illicit drugs. GPH and MWCNTs were chosen as the most suitable platforms and cocaine, 3,4-methylendioxymethamfetamine (MDMA), 3-methylmethcathinone (MMC) and alpha-pyrrolidinovalerophenone (PVP) were tested. Due to the hydrophobicity of the nanomaterials-based platforms which led to low signals, two strategies were followed namely, pretreatment of the electrodes in sulfuric acid by cyclic voltammetry and addition of Tween 20 to the detection buffer. Both strategies led to an increase in the oxidation signal of illicit drugs. Binary mixtures of illicit drugs with common adulterants found in street samples were also investigated. The proposed strategies allowed the sensitive detection of illicit drugs in the presence of most adulterants. The suitability of the proposed sensors for the detection of illicit drugs in spiked wastewaters was finally assessed. | ||||
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| Language | Wos | 000634708900001 | Publication Date | 2021-03-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2296-2646 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.994 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.994 | |||
| Call Number | UA @ admin @ c:irua:177704 | Serial | 7861 | ||
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| Author | Moiseeva, E.O.; Trashin, S.; Korostei, Y.S.; Khan, S.U.; Kosov, A.D.; De Wael, K.; Dubinina, T.V.; Tomilova, L.G. | ||||
| Title |
Electrochemical and spectroelectrochemical studies of tert-butyl-substituted aluminum phthalocyanine | Type | A1 Journal article | ||
| Year | 2021 | Publication | Polyhedron | Abbreviated Journal | Polyhedron |
| Volume | 200 | Issue | Pages | 115136 | |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Tetra-tert-butylphthalocyanine aluminum (III) chloride was studied by voltammetric and potential-resolved spectroelectrochemical methods in a non-coordinating solvent o-dichlorobenzene. Five redox transitions were found including two oxidation waves at 0.18 and 0.90 V and three reduction waves at −1.28, −1.65, and −2.63 V vs. Fc+/Fc. Electrochemical reversibility of the first oxidation and reduction processes was assessed by using the diagnostic criteria of cyclic voltammetry. First comprehensive spectroelectrochemical characterization of oxidation of the aluminum phthalocyanine is reported. Moreover, potential-resolved spectroelectrochemical titration revealed strong influence of aggregation on the UV–vis spectra and the half-wave potentials of the first oxidation transition and disclosed the presence of the partially oxidized complex in the initial solution, which noticeably affected the spectrum of the neutral form. | ||||
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| Language | Wos | 000640386000006 | Publication Date | 2021-03-02 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0277-5387 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.926 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 1.926 | |||
| Call Number | UA @ admin @ c:irua:176389 | Serial | 7860 | ||
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| Author | Mirbagheri, N.; Campos, R.; Ferapontova, E.E. | ||||
| Title |
Electrocatalytic oxidation of water by OH- – and H₂O-capped IrOx nanoparticles electrophoretically deposited on graphite and basal plane HOPG : effect of the substrate electrode | Type | A1 Journal article | ||
| Year | 2021 | Publication | Chemelectrochem | Abbreviated Journal | Chemelectrochem |
| Volume | 8 | Issue | 9 | Pages | 1632-1641 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Iridium oxide (IrOx) is one of the most efficient electrocatalysts for water oxidation reaction (WOR). Here, WOR electrocatalysis by 1.6 nm IrOx nanoparticles (NPs) electrophoretically deposited onto spectroscopic graphite (Gr) and basal plane highly ordered pyrolytic graphite (HOPG) was studied as a function of NPs' capping ligands and electrodeposition substrate. On Gr, OH-- and H2O-capped NPs exhibited close sub-monolayer surface coverages and specific electrocatalytic activity of 18.9-23.5 mA nmol(-1) of Ir-IV/V sites, at 1 V and pH 7. On HOPG, OH--capped NPs produced films with a diminished WOR activity of 5.17 +/- 2.40 mA nmol(-1). Electro-wettability-induced changes impeded electrophoretic deposition of H2O-capped NPs on HOPG, WOR currents being 25-fold lower than observed for OH--capped ones. The electrocatalysis efficiency correlated with hydrophilic properties of the substrate electrodes, affecting morphological and as a result catalytic properties of the formed IrOx films. These results, important both for studied and related carbon nanomaterials systems, allow fine-tuning of electrocatalysis by a proper choice of the substrate electrode. | ||||
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| Language | Wos | 000664219100012 | Publication Date | 2021-04-16 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.136 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.136 | |||
| Call Number | UA @ admin @ c:irua:179719 | Serial | 7859 | ||
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| Author | Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. | ||||
| Title |
Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study | Type | A1 Journal article | ||
| Year | 2021 | Publication | Applied Surface Science | Abbreviated Journal | Appl Surf Sci |
| Volume | 540 | Issue | 1 | Pages | 148289 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb. | ||||
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| Language | Wos | 000599883200005 | Publication Date | 2020-11-09 | |
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| ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.387 | Times cited | 1 | Open Access | Not_Open_Access |
| Notes | ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; | Approved | Most recent IF: 3.387 | ||
| Call Number | UA @ admin @ c:irua:174956 | Serial | 6688 | ||
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| Author | Boschker, H.T.S.; Cook, P.L.M.; Polerecky, L.; Eachambadi, R.T.; Lozano, H.; Hidalgo-Martinez, S.; Khalenkow, D.; Spampinato, V.; Claes, N.; Kundu, P.; Wang, D.; Bals, S.; Sand, K.K.; Cavezza, F.; Hauffman, T.; Bjerg, J.T.; Skirtach, A.G.; Kochan, K.; McKee, M.; Wood, B.; Bedolla, D.; Gianoncelli, A.; Geerlings, N.M.J.; Van Gerven, N.; Remaut, H.; Geelhoed, J.S.; Millan-Solsona, R.; Fumagalli, L.; Nielsen, L.P.; Franquet, A.; Manca, J.V.; Gomila, G.; Meysman, F.J.R. | ||||
| Title |
Efficient long-range conduction in cable bacteria through nickel protein wires | Type | A1 Journal article | ||
| Year | 2021 | Publication | Nature Communications | Abbreviated Journal | Nat Commun |
| Volume | 12 | Issue | 1 | Pages | 3996 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Filamentous cable bacteria display long-range electron transport, generating electrical currents over centimeter distances through a highly ordered network of fibers embedded in their cell envelope. The conductivity of these periplasmic wires is exceptionally high for a biological material, but their chemical structure and underlying electron transport mechanism remain unresolved. Here, we combine high-resolution microscopy, spectroscopy, and chemical imaging on individual cable bacterium filaments to demonstrate that the periplasmic wires consist of a conductive protein core surrounded by an insulating protein shell layer. The core proteins contain a sulfur-ligated nickel cofactor, and conductivity decreases when nickel is oxidized or selectively removed. The involvement of nickel as the active metal in biological conduction is remarkable, and suggests a hitherto unknown form of electron transport that enables efficient conduction in centimeter-long protein structures. | ||||
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| Language | Wos | 000669944900006 | Publication Date | 2021-06-28 | |
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| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 23 | Open Access | OpenAccess |
| Notes | The authors thank Marlies Neiemeisland for assistance with Raman microscopy, Michiel Kienhuis for assistance with NanoSIMS analysis, Peter Hildebrandt and Diego Millo for helping with the interpretation of the Raman spectra, IONTOF for the Orbitrap Hybrid- SIMS analysis, and Rene Fabregas for helping with finite-element numerical modeling for SDM. H.T.S.B. and F.J.R.M. were financially supported by the Netherlands Organization for Scientific Research (VICI grant 016.VICI.170.072). Research Foundation Flanders supported F.J.R.M., J.V.M., and R.T.E. through FWO grant G031416N, and F.J.R.M. and J.S.G. through FWO grant G038819N. N.M.J.G. is the recipient of a Ph.D. scholarship for teachers from NWO in the Netherlands (grant 023.005.049). The NanoSIMS facility at Utrecht University was financed through a large infrastructure grant by the Netherlands Organization for Scientific Research (NWO, grant no. 175.010.2009.011) and through a Research Infrastructure Fund by the Utrecht University Board. A.G.S. is supported by the Special Research Fund (BOF) of Ghent University (BOF14/IOP/003, BAS094-18, 01IO3618) and FWO (G043219). The ToF-SIMS was funded by FWO Hercules grant (ZW/13/07) to J.V.M. and A.F. H.L., R.M.S., and G.G. were funded by the European Union H2020 Framework Programme (MSCA-ITN-2016) under grant agreement n 721874.EU, the Spanish Agencia Estatal de Investigación and EU FEDER under grant agreements TEC2016-79156-P and TEC2015-72751-EXP, the Generalitat de Catalunya through 2017-SGR1079 grant and CERCA Program. G.G. was recipient of an ICREA Academia Award, and H.L. of a FPI fellowship (BES-2015-074799) from the Agencia Estatal de Investigación/Fondo Social Europeo. L.F. received funding from the European Research Council (grant agreement No. 819417) under the European Union’s Horizon 2020 research and innovation programme. | Approved | Most recent IF: 12.124 | ||
| Call Number | EMAT @ emat @c:irua:179813 | Serial | 6803 | ||
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| Author | Yildiz, A.; Chouki, T.; Atli, A.; Harb, M.; Verbruggen, S.W.; Ninakanti, R.; Emin, S. | ||||
| Title |
Efficient iron phosphide catalyst as a counter electrode in dye-sensitized solar cells | Type | A1 Journal article | ||
| Year | 2021 | Publication | ACS applied energy materials | Abbreviated Journal | |
| Volume | 4 | Issue | 10 | Pages | 10618-10626 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Developing an efficient material as a counter electrode (CE) with excellent catalytic activity, intrinsic stability, and low cost is essential for the commercial application of dye-sensitized solar cells (DSSCs). Transition metal phosphides have been demonstrated as outstanding multifunctional catalysts in a broad range of energy conversion technologies. Here, we exploited different phases of iron phosphide as CEs in DSSCs with an I–/I3–-based electrolyte. Solvothermal synthesis using a triphenylphosphine precursor as a phosphorus source allows to grow a Fe2P phase at 300 °C and a FeP phase at 350 °C. The obtained iron phosphide catalysts were coated on fluorine-doped tin oxide substrates and heat-treated at 450 °C under an inert gas atmosphere. The solar-to-current conversion efficiency of the solar cells assembled with the Fe2P material reached 3.96 ± 0.06%, which is comparable to the device assembled with a platinum (Pt) CE. DFT calculations support the experimental observations and explain the fundamental origin behind the improved performance of Fe2P compared to FeP. These results indicate that the Fe2P catalyst exhibits excellent performance along with desired stability to be deployed as an efficient Pt-free alternative in DSSCs. | ||||
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| Language | Wos | 000711236300022 | Publication Date | 2021-10-08 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:181953 | Serial | 7853 | ||
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| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title |
Efficient fitting algorithm | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages | 73-90 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT) | ||||
| Abstract | An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic-resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighboring columns, enabling the analysis of a large field of view. To provide end-users with this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. In this chapter, this efficient algorithm is applied to three different nanostructures for which the analysis of a large field of view is required. | ||||
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| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177528 | Serial | 6778 | ||
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| Author | De Meyer, R.; Albrecht, W.; Bals, S. | ||||
| Title |
Effectiveness of reducing the influence of CTAB at the surface of metal nanoparticles during in situ heating studies by TEM | Type | A1 Journal article | ||
| Year | 2021 | Publication | Micron | Abbreviated Journal | Micron |
| Volume | 144 | Issue | Pages | 103036 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In situ TEM is a valuable technique to offer novel insights in the behavior of nanomaterials under various conditions. However, interpretation of in situ experiments is not straightforward since the electron beam can impact the outcome of such measurements. For example, ligands surrounding metal nanoparticles transform into a protective carbon layer upon electron beam irradiation and may impact the apparent thermal stability during in situ heating experiments. In this work, we explore the effect of different treatments typically proposed to remove such ligands. We found that plasma treatment prior to heating experiments for Au nanorods and nanostars increased the apparent thermal stability of the nanoparticles, while an activated carbon treatment resulted in a decrease of the observed thermal stability. Treatment with HCl barely changed the experimental outcome. These results demonstrate the importance of carefully selecting pre-treatments procedures during in situ heating experiments. | ||||
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| Language | Wos | 000632282600002 | Publication Date | 2021-02-19 | |
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| ISSN | 0968-4328 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.98 | Times cited | Open Access | OpenAccess | |
| Notes | H2020; European Research Council; This work was supported by the European Union’s Horizon 2020 research and innovation program [grant agreement No 823717 (ESTEEM3) and No 815128 (REALNANO)]; We acknowledge Prof. Luis M. Liz-Marzán and co-workers of the Bionanoplasmonics Laboratory, CICbiomaGUNE, Spain for providing the Au nanoparticles.; sygma; esteem3jra; esteem3reported | Approved | Most recent IF: 1.98 | ||
| Call Number | EMAT @ emat @c:irua:175874 | Serial | 6677 | ||
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| Author | Rzeszotarski, B.; Mrenca-Kolasinska, A.; Peeters, F.M.; Szafran, B. | ||||
| Title |
Effective Landé factors for an electrostatically defined quantum point contact in silicene | Type | A1 Journal article | ||
| Year | 2021 | Publication | Scientific Reports | Abbreviated Journal | Sci Rep-Uk |
| Volume | 11 | Issue | 1 | Pages | 19892 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | The transconductance and effective Lande g* factors for a quantum point contact defined in silicene by the electric field of a split gate is investigated. The strong spin-orbit coupling in buckled silicene reduces the g* factor for in-plane magnetic field from the nominal value 2 to around 1.2 for the first-to 0.45 for the third conduction subband. However, for perpendicular magnetic field we observe an enhancement of g* factors for the first subband to 5.8 in nanoribbon with zigzag and to 2.5 with armchair edge. The main contribution to the Zeeman splitting comes from the intrinsic spin-orbit coupling defined by the Kane-Mele form of interaction. | ||||
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| Language | Wos | 000706380800089 | Publication Date | 2021-10-08 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 4.259 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.259 | |||
| Call Number | UA @ admin @ c:irua:182502 | Serial | 6983 | ||
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| Author | Lavor, I.R.; da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Van Duppen, B.; Peeters, F.M. | ||||
| Title |
Effect of zitterbewegung on the propagation of wave packets in ABC-stacked multilayer graphene : an analytical and computational approach | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 33 | Issue | 9 | Pages | 095503 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The time evolution of a low-energy two-dimensional Gaussian wave packet in ABC-stacked n-layer graphene (ABC-NLG) is investigated. Expectation values of the position (x, y) of center-of-mass and the total probability densities of the wave packet are calculated analytically using the Green's function method. These results are confirmed using an alternative numerical method based on the split-operator technique within the Dirac approach for ABC-NLG, which additionally allows to include external fields and potentials. The main features of the zitterbewegung (trembling motion) of wave packets in graphene are demonstrated and are found to depend not only on the wave packet width and initial pseudospin polarization, but also on the number of layers. Moreover, the analytical and numerical methods proposed here allow to investigate wave packet dynamics in graphene systems with an arbitrary number of layers and arbitrary potential landscapes. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000599465000001 | Publication Date | 2020-11-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.649 | Times cited | 3 | Open Access | OpenAccess |
| Notes | ; Discussions with D J P de Sousa and J M Pereira Jr are gratefully acknowledged. This work was financially supported by the Brazilian Council for Research (CNPq), under the PQ and PRONEX/FUNCAP programs, and by CAPES. One of us (BVD) is supported by the FWO-Vl. DRC is supported by CNPq Grant Nos. 310019/2018-4 and 437067/2018-1. ; | Approved | Most recent IF: 2.649 | ||
| Call Number | UA @ admin @ c:irua:174953 | Serial | 6687 | ||
| Permanent link to this record | |||||
| Author | Van Alphen, S.; Slaets, J.; Ceulemans, S.; Aghaei, M.; Snyders, R.; Bogaerts, A. | ||||
| Title |
Effect of N2 on CO2-CH4 conversion in a gliding arc plasmatron: Can this major component in industrial emissions improve the energy efficiency? | Type | A1 Journal Article;Plasma-based CO2-CH4 conversion | ||
| Year | 2021 | Publication | Journal Of Co2 Utilization | Abbreviated Journal | J Co2 Util |
| Volume | 54 | Issue | Pages | 101767 | |
| Keywords | A1 Journal Article;Plasma-based CO2-CH4 conversion; Effect of N2; Plasma chemistry; Computational modelling; Gliding arc plasmatron; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma-based CO2 and CH4 conversion is gaining increasing interest, and a great portion of research is dedicated to adapting the process to actual industrial conditions. In an industrial context, the process needs to be able to process N2 admixtures, since most industrial gas emissions contain significant amounts of N2, and gas separations are financially costly. In this paper we therefore investigate the effect of N2 on the CO2 and CH4 conversion in a gliding arc plasmatron reactor. The addition of 20 % N2 reduces the energy cost of the conversion process by 21 % compared to a pure CO2/CH4 mixture, from 2.9 down to 2.2 eV/molec (or from 11.5 to 8.7 kJ/L), yielding a CO2 and CH4 (absolute) conversion of 28.6 and 35.9 % and an energy efficiency of 58 %. These results are among the best reported in literature for plasma-based DRM, demonstrating the benefits of N2 present in the mix. Compared to DRM results in different plasma reactor types, a low energy cost was achieved. To understand the underlying mechanisms of N2 addition, we developed a combination of four different computational models, which reveal that the beneficial effect of N2 addition is attributed to (i) a rise in the electron density (increasing the plasma conductivity, and therefore reducing the plasma power needed to sustain the plasma, which reduces the energy cost), as well as (ii) a rise in the gas temperature, which accelerates the CO2 and CH4 conversion reactions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000715057300005 | Publication Date | 2021-10-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.292 | Times cited | Open Access | OpenAccess | |
| Notes | This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innova tion programme (grant agreement No 810182 – SCOPE ERC Synergy project), the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and through long-term structural funding (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 4.292 | ||
| Call Number | PLASMANT @ plasmant @c:irua:184044 | Serial | 6827 | ||
| Permanent link to this record | |||||
| Author | Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D. | ||||
| Title |
Effect of mismatched electron-hole effective masses on superfluidity in double layer solid-state systems | Type | A1 Journal article | ||
| Year | 2021 | Publication | Condensed Matter | Abbreviated Journal | |
| Volume | 6 | Issue | 2 | Pages | 14 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Superfluidity has been predicted and now observed in a number of different electron-hole double-layer semiconductor heterostructures. In some of the heterostructures, such as GaAs and Ge-Si electron-hole double quantum wells, there is a strong mismatch between the electron and hole effective masses. We systematically investigate the sensitivity to unequal masses of the superfluid properties and the self-consistent screening of the electron-hole pairing interaction. We find that the superfluid properties are insensitive to mass imbalance in the low density BEC regime of strongly-coupled boson-like electron-hole pairs. At higher densities, in the BEC-BCS crossover regime of fermionic pairs, we find that mass imbalance between electrons and holes weakens the superfluidity and expands the density range for the BEC-BCS crossover regime. This permits screening to kill the superfluid at a lower density than for equal masses. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000665155800001 | Publication Date | 2021-04-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2410-3896 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 1 | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:179635 | Serial | 6982 | ||
| Permanent link to this record | |||||
| Author | Bafekry, A.; Stampfl, C.; Naseri, M.; Fadlallah, M.M.; Faraji, M.; Ghergherehchi, M.; Gogova, D.; Feghhi, S.A.H. | ||||
| Title |
Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer : a first-principles calculation | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Applied Physics | Abbreviated Journal | J Appl Phys |
| Volume | 129 | Issue | 15 | Pages | 155103 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Recently, a two-dimensional (2D) MoSi 2N 4 (MSN) structure has been successfully synthesized [Hong et al., Science 369(6504), 670-674 (2020)]. Motivated by this result, we investigate the structural, electronic, and optical properties of MSN monolayer (MSN-1L) and bilayer (MSN-2L) under the applied electric field (E-field) and strain using density functional theory calculations. We find that the MSN-2L is a semiconductor with an indirect bandgap of 1.60 (1.80)eV using Perdew-Burke-Ernzerhof (HSE06). The bandgap of MSN-2L decreases as the E-field increases from 0.1 to 0.6V/angstrom and for larger E-field up to 1.0V/angstrom the bilayer becomes metallic. As the vertical strain increases, the bandgap decreases; more interestingly, a semiconductor to a metal phase transition is observed at a strain of 12 %. Furthermore, the optical response of the MSN-2L is in the ultraviolet (UV) region of the electromagnetic spectrum. The absorption edge exhibits a blue shift by applying an E-field or a vertical compressive strain. The obtained interesting properties suggest MSN-2L as a promising material in electro-mechanical and UV opto-mechanical devices. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000640620400003 | Publication Date | 2021-04-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.068 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 2.068 | |||
| Call Number | UA @ admin @ c:irua:178233 | Serial | 6981 | ||
| Permanent link to this record | |||||
| Author | Golovachev, I.B.; Mychinko, M.Y.; Volkova, N.E.; Gavrilova, L.Y.; Raveau, B.; Maignan, A.; Cherepanov, V.A. | ||||
| Title |
Effect of cobalt content on the properties of quintuple perovskites Sm₂Ba₃Fe₅-xCoxO₁₅-δ | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Solid State Chemistry | Abbreviated Journal | J Solid State Chem |
| Volume | 301 | Issue | Pages | 122324 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Quintuple perovskites Sm2Ba3Fe5-xCoxO15-delta = 0.5, 1.0 and 1.5) have been prepared by glycerin-nitrate tech- nique in air. The phase purity was confirmed by XRD. Partial substitution of Co for Fe decreases the oxygen content and thus the mean oxidation state of 3d-metals. It also slightly decreases the thermal expansion coefficient of oxides. Positive value of the Seebeck coefficient confirmed p-type conductivity, though the thermopower decreases as the Co content increases. The temperature dependence of electrical conductivity reveals a maximum at 550-750 degrees C. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000684543700028 | Publication Date | 2021-06-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-4596 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.299 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 2.299 | |||
| Call Number | UA @ admin @ c:irua:181656 | Serial | 6864 | ||
| Permanent link to this record | |||||
| Author | Berdiyorov, G.R.; Khalilov, U.; Hamoudi, H.; Neyts, E.C. | ||||
| Title |
Effect of chemical modification on electronic transport properties of carbyne | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Computational Electronics | Abbreviated Journal | J Comput Electron |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Using density functional theory in combination with the Green’s functional formalism, we study the effect of surface functionalization on the electronic transport properties of 1D carbon allotrope—carbyne. We found that both hydrogenation and fluorination result in structural changes and semiconducting to metallic transition. Consequently, the current in the functionalization systems increases significantly due to strong delocalization of electronic states along the carbon chain. We also study the electronic transport in partially hydrogenated carbyne and interface structures consisting of pristine and functionalized carbyne. In the latter case, current rectification is obtained in the system with rectification ratio up to 50%. These findings can be useful for developing carbyne-based structures with tunable electronic transport properties. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000617664900001 | Publication Date | 2021-02-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1569-8025 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.526 | Times cited | Open Access | OpenAccess | |
| Notes | Computational resources were provided by the research computing facilities of Qatar Environment and Energy Research Institute. Calculations are also conducted using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. U. Khalilov gratefully acknowledges financial support from the Fund of Scientific Research Flanders (FWO), Belgium, Grant number 12M1315N. | Approved | Most recent IF: 1.526 | ||
| Call Number | PLASMANT @ plasmant @c:irua:176169 | Serial | 6708 | ||
| Permanent link to this record | |||||
| Author | Charalampopoulou, E.; Lambrinou, K.; Van der Donck, T.; Paladino, B.; Di Fonzo, F.; Azina, C.; Eklund, P.; Mraz, S.; Schneider, J.M.; Schryvers, D.; Delville, R. | ||||
| Title |
Early stages of dissolution corrosion in 316L and DIN 1.4970 austenitic stainless steels with and without anticorrosion coatings in static liquid lead-bismuth eutectic (LBE) at 500 degrees C | Type | A1 Journal article | ||
| Year | 2021 | Publication | Materials Characterization | Abbreviated Journal | Mater Charact |
| Volume | 178 | Issue | Pages | 111234 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | This work addresses the early stages (<= 1000 h) of the dissolution corrosion behavior of 316L and DIN 1.4970 austenitic stainless steels in contact with oxygen-poor (C-O < 10(-8) mass%), static liquid lead-bismuth eutectic (LBE) at 500 degrees C for 600-1000 h. The objective of this study was to determine the relative early-stage resistance of the uncoated steels to dissolution corrosion and to assess the protectiveness of select candidate coatings (Cr2AlC, Al2O3, V2AlxCy). The simultaneous exposure of steels with intended differences in microstructure and thermomechanical state showed the effects of steel grain size, density of annealing/deformation twins, and secondary precipitates on the steel dissolution corrosion behavior. The findings of this study provide recommendations on steel manufacturing with the aim of using the steels to construct Gen-IV lead-cooled fast reactors. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000752582700001 | Publication Date | 2021-06-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1044-5803 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.714 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 2.714 | |||
| Call Number | UA @ admin @ c:irua:186509 | Serial | 7061 | ||
| Permanent link to this record | |||||
| Author | Shaw, P. | ||||
| Title |
Dual action of reactive species as signal and stress agents in plasma medicine : combined computational and experimental research | Type | Doctoral thesis | ||
| Year | 2021 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 191 p. | ||
| Keywords | Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE) | ||||
| Abstract | Reactive oxygen and nitrogen species (RONS) generated by cold atmospheric plasma (CAP) can activate discrete signaling transduction pathways or disrupt redox cellular homeostasis, depending on their concentration. This makes that CAP possesses therapeutic potential towards wound healing, cancer, and other diseases. In order to effectively use CAP in the clinic, a clear understanding of the interaction of RONS with biomolecules (lipids, proteins and nucleic acids) from the atomic to the macro scale, and their biological significance, is needed. In this work, I have therefore studied the dual role of CAP-derived RONS, i.e., (i) in the signaling pathways involved in wound healing, and (ii) in their reaction with biomolecules to cause oxidation-mediated damage. I performed computer simulations to provide fundamental insight about the occurring processes that are difficult or even impossible to obtain experimentally. Furthermore, next to computational studies, I used both 2D and 3D tissue cultures. 3D model allows proliferation in a more physiologically relevant geometry that stimulates the production of extracellular matrix proteins. I investigated the treatment of human gingival fibroblasts with low doses of CAP-generated RONS. This treatment demonstrated that it can inhibit colony formation but does not induce cell death, induce the expression of metalloprotease proteins, induce extracellular matrix degradation, and promote cell migration, which could result in enhanced wound healing. In contrast, at high concentrations, RONS can disrupt the cell membrane integrity and induce cancer cell death through oxidative stress-mediated pathways. I discovered how oxidation of the cell membrane (lipid-peroxidation) can facilitate the access of a drug (Melittin) into cancer cells, and in this way, reduce the required therapeutic dose of Melittin in melanoma and breast cancer cells (demonstrated using in vitro, in ovo and in silico approaches). Furthermore, I studied how excessive lipid-oxidation in chemoresistant pancreatic cancer cells promotes ferroptotic cell death. This was due to the stimulation of the iron-dependent Fenton reaction by targeting a redox specific signaling network. However, upon oxidative stress, cells protect themselves via a sophisticated intracellular antioxidant system that involves the regulation of glutathione/glutathione peroxidase 4 (lipid repair enzyme). Cancer cells exhibited increased levels of intracellular RONS due to their hyper metabolism, leading to high expression of anti-oxidant systems. I therefore focus on the effect of reactive species on the intracellular anti-oxidant system and corresponding DNA damages in both temozolomide-sensitive as well as temozolomide-resistant glioblastoma spheroids, in a 3-dimensional tumor model with a more complex tumor microenvironment than cell monolayers. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:183751 | Serial | 7828 | ||
| Permanent link to this record | |||||
| Author | Gielis, J. | ||||
| Title |
Double helix of phyllotaxis : analysis of the geometric model of plant morphogenesis, by Boris Rozin | Type | Review | ||
| Year | 2021 | Publication | Quarterly Review Of Biology | Abbreviated Journal | Q Rev Biol |
| Volume | 96 | Issue | 2 | Pages | 139-140 |
| Keywords | Review; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-05-19 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0033-5770; 1539-7718 | ISBN | Additional Links | UA library record | |
| Impact Factor | 4.25 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 4.25 | |||
| Call Number | UA @ admin @ c:irua:178829 | Serial | 7824 | ||
| Permanent link to this record | |||||
| Author | Muhammad, S.; Wuyts, K.; De Wael, K.; Samson, R. | ||||
| Title |
Does leaf micro-morphology influence the recognition of particles on SEM images? | Type | A3 Journal article | ||
| Year | 2021 | Publication | International Journal of Environmental Pollution and Remediation | Abbreviated Journal | |
| Volume | 9 | Issue | Pages | 22-37 | |
| Keywords | A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Scanning electron microscopy (SEM) remains a popular approach to determine the shape, size, density and elemental composition of particles collected on leaf surfaces, but the effect of leaf micro-morphology on particle counts is not very well known. In this study, leaves of sixteen urban plant species were examined for particle density in June and September 2016 using SEM. The investigated plant species differed in leaf micro-morphology involving trichomes, raised stomata, epicuticular wax crystals and convex epidermal cells forming deep grooves between cells. The particle density on leaves of the investigated plant species was estimated by particle size fraction and leaf side. Particle density was significantly higher on the adaxial (AD) leaf side compared to the abaxial (AB) leaf side and higher for fine-particles than coarse-particles. The effect of trichome density on particle density of the AB and the AD leaf side was indicated to be significant and positive for both coarse and fine-particles in June but not in September. The successive repeated measurements elucidated that features constructing the topography of a leaf surface such as trichomes, stomata, and epidermal cells frequently contributed towards the edge enhancement effect, resulting in exaggerated particle counts. Besides, the mechanical drift contributed to the disparity in particle density measurements. Lastly, the reduction in particle density between successive measurements were imputed on the charging effect. These results enable us to suggest that in addition to characterization of micro-morphological features on a leaf surface, SEM will continue to be a useful approach for determining the particle: shape, size, elemental composition and density of the deposited particles. Nonetheless, the disparity in particle density measurements can occur due to abnormal particle recognition. Based on the results of September, we recommend that within-session successive repeated measurements (~ n ≥ 5) need to be performed to remove measurement uncertainties and obtain reliable quantitative data of particle counts using SEM. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-09-15 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:181797 | Serial | 7822 | ||
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| Author | Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V. | ||||
| Title |
Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling | Type | A1 Journal article | ||
| Year | 2021 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 103 | Issue | 12 | Pages | 125418 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000646179300003 | Publication Date | 2021-03-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 18 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:177506 | Serial | 6756 | ||
| Permanent link to this record | |||||
| Author | Peng, X.; Peng, H.; Zhao, K.; Zhang, Y.; Xia, F.; Lyu, J.; Van Tendeloo, G.; Sun, C.; Wu, J. | ||||
| Title |
Direct visualization of atomic-scale heterogeneous structure dynamics in MnO₂ nanowires | Type | A1 Journal article | ||
| Year | 2021 | Publication | Acs Applied Materials & Interfaces | Abbreviated Journal | Acs Appl Mater Inter |
| Volume | 13 | Issue | 28 | Pages | 33644-33651 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Manganese oxides are attracting great interest owing to their rich polymorphism and multiple valent states, which give rise to a wide range of applications in catalysis, capacitors, ion batteries, and so forth. Most of their functionalities are connected to transitions among the various polymorphisms and Mn valences. However, their atomic-scale dynamics is still a great challenge. Herein, we discovered a strong heterogeneity in the crystalline structure and defects, as well as in the Mn valence state. The transitions are studied by in situ transmission electron microscopy (TEM), and they involve a complex ordering of [MnO6] octahedra as the basic building tunnels. MnO2 nanowires synthesized using solution-based hydrothermal methods usually exhibit a large number of multiple polymorphism impurities with different tunnel sizes. Upon heating, MnO2 nanowires undergo a series of stoichiometric polymorphism changes, followed by oxygen release toward an oxygen-deficient spinel and rock-salt phase. The impurity polymorphism exhibits an abnormally high stability with interesting small-large-small tunnel size transition, which is attributed to a preferential stabilizer (K+) concentration, as well as a strong competition of kinetics and thermodynamics. Our results unveil the complicated intergrowth of polymorphism impurities in MnO2, which provide insights into the heterogeneous kinetics, thermodynamics, and transport properties of the tunnel-based building blocks. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000677540900101 | Publication Date | 2021-07-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.504 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 7.504 | |||
| Call Number | UA @ admin @ c:irua:180450 | Serial | 6861 | ||
| Permanent link to this record | |||||
| Author | Chen, L.; Elibol, K.; Cai, H.; Jiang, C.; Shi, W.; Chen, C.; Wang, H.S.; Wang, X.; Mu, X.; Li, C.; Watanabe, K.; Taniguchi, T.; Guo, Y.; Meyer, J.C.; Wang, H. | ||||
| Title |
Direct observation of layer-stacking and oriented wrinkles in multilayer hexagonal boron nitride | Type | A1 Journal article | ||
| Year | 2021 | Publication | 2d Materials | Abbreviated Journal | 2D Mater |
| Volume | 8 | Issue | 2 | Pages | 024001 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Hexagonal boron nitride (h-BN) has long been recognized as an ideal substrate for electronic devices due to its dangling-bond-free surface, insulating nature and thermal/chemical stability. These properties of the h-BN multilayer are mainly determined by its lattice structure. Therefore, to analyse the lattice structure and orientation of h-BN crystals becomes important. Here, the stacking order and wrinkles of h-BN are investigated by transmission electron microscopy. It is experimentally confirmed that the layers in the h-BN flakes are arranged in the AA ' stacking. The wrinkles in a form of threefold network throughout the h-BN crystal are oriented along the armchair direction, and their formation mechanism was further explored by molecular dynamics simulations. Our findings provide a deep insight about the microstructure of h-BN and shed light on the structural design/electronic modulations of two-dimensional crystals. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000605937500001 | Publication Date | 2020-12-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2053-1583 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.937 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.937 | |||
| Call Number | UA @ admin @ c:irua:174950 | Serial | 6723 | ||
| Permanent link to this record | |||||
| Author | Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C. | ||||
| Title |
DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
| Volume | 125 | Issue | 34 | Pages | 18673-18683 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Immobilization of single metal atoms on a solid host opens numerous possibilities for catalyst designs. If that host is a two-dimensional sheet, sheet curvature becomes a design parameter potentially complementary to host and metal composition. Here, we use a combination of density functional theory calculations and microkinetic modeling to compare the mechanisms and kinetics of formic acid decomposition and formation, chosen for their relevance as a potential hydrogen storage medium, over single Ru atoms anchored to pyridinic nitrogen in a planar graphene flake (RuN4-G) and curved carbon nanotube (RuN4-CNT). Activation barriers are lowered and the predicted turnover frequencies are increased over RuN4-CNT relative to RuN4-CNT. The results highlight the potential of curvature control as a means to achieve high performance and robust catalysts. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000693413400013 | Publication Date | 2021-08-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.536 | |||
| Call Number | UA @ admin @ c:irua:181538 | Serial | 7805 | ||
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| Author | Roegiers, J. | ||||
| Title |
Development of combined photocatalytic and active carbon fiber technology for indoor air purification based on Multiphysics models | Type | Doctoral thesis | ||
| Year | 2021 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | XXX, 197 p. | ||
| Keywords | Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Exposure to volatile organic compounds (VOCs) remains a major public health concern. Indoor VOC concentrations typically far exceed outdoor levels due to a variety of emission sources and the stringent insulation measures that are imposed today. Many attempts have been made to use photocatalysis for indoor air purification. In an ideal situation, photocatalysis is capable of complete mineralization of VOCs to H2O and CO2, without any byproduct formation. Moreover, the process can take place at standard atmospheric conditions, i.e. ambient temperature and atmospheric pressure. However, successful exploitation is still impeded due to low conversion efficiency, significant pressure loss (and hence a high energy consumption) and byproduct formation. In the first part of this thesis an attempt was made to tackles these problems by designing a novel type of photocatalytic (PCO) reactor. The PCO device consists of a cylindrical vessel filled with TiO2-coated glass tubes and equipped with UV fluorescence lamps. It was investigated in terms of fluid dynamics, coating properties, UV-light distribution and photocatalytic activity. Experimental data was later used to develop and calibrate a Multiphysics model. The model proved to be a useful tool for designing and upscaling the PCO reactor. Consequently, an optimized prototype reactor was constructed and tested according the CEN-EN-16846-1 standard for VOC removal. Although the prototype showed promising results for lab-scale conditions, it struggled with byproduct formation when purifying ppb-level VOCs. In the second part of this thesis, activated carbon adsorption was investigated in order to combine it with photocatalysis. Activated carbon fiber was opted for its fast kinetics, high adsorption capacity and thermo-electrical regeneration. The filter was studied in detail regarding the adsorption of polar and apolar VOCs at indoor air concentration levels and regeneration capabilities. Experimental data was used to develop a Multiphysics model for activated carbon adsorption as well. Consequently, a novel type of ACF filter was developed using the Multiphysics model, which was equipped with electrodes in the tips of the pleats for effective thermal regeneration. In the last part, the combination of both ACF and PCO was studied using a realistic case study. Based on the Multiphysics model, the feasibility of a so-called hybrid air purification device could be investigated. The Multiphysics model shows promising results for this hybrid PCO-ACF system and hence, a demo setup was constructed for future research. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:181137 | Serial | 6860 | ||
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| Author | Roegiers, J.; Denys, S. | ||||
| Title |
Development of a novel type activated carbon fiber filter for indoor air purification | Type | A1 Journal article | ||
| Year | 2021 | Publication | Chemical Engineering Journal | Abbreviated Journal | Chem Eng J |
| Volume | 417 | Issue | Pages | 128109 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | A novel type of activated carbon fiber filter was developed for indoor air purification. The filter is equipped with electrodes for thermo-electrical regeneration at the point of saturation. The electrodes are arranged in such a way that the filter forms a pleated structure with an electrode in the tip of each pleat. This allows for a uniform temperature distribution on the filter surface during the regeneration process and the pleated structure reduces the overall pressure drop across the filter. The latter was validated by Computational Fluid Dynamics, using Darcy-Forchheimer parameters derived in previous work. The CFD model was further used to perform a virtual sensitivity study in search for the optimal ACF filter design by varying the pleat length, pleat height and filter thickness. Finally, adsorption and desorption properties were investigated with acetaldehyde and toluene as model compounds. Freundlich and Langmuir adsorption parameters, derived in previous work were successfully validated with a Multiphysics model. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000653229500132 | Publication Date | 2020-12-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947; 1873-3212 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.216 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.216 | |||
| Call Number | UA @ admin @ c:irua:174105 | Serial | 7800 | ||
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| Author | Kleinhans, K.; Hallemans, M.; Huysveld, S.; Thomassen, G.; Ragaert, K.; Van Geem, K.M.; Roosen, M.; Mys, N.; Dewulf, J.; De Meester, S. | ||||
| Title |
Development and application of a predictive modelling approach for household packaging waste flows in sorting facilities | Type | A1 Journal Article | ||
| Year | 2021 | Publication | Waste Management | Abbreviated Journal | Waste Management |
| Volume | 120 | Issue | Pages | 290-302 | |
| Keywords | A1 Journal Article; Engineering Management (ENM) ; | ||||
| Abstract | Household packaging waste sorting facilities consist of complex networks of processes to separate diverse waste streams. These facilities are a key first step to re-enter materials into the recycling chain. However, so far there are no general methods to predict the performance of such sorting facilities, i.e. how efficiently the heterogeneous packaging waste is sorted into fractions with value for further recycling. In this paper, a model of the material flow in a sorting facility is presented, which allows changing the incoming waste composition, split factors on the sorting units as well as the setup of the sorting facility. The performance of the sorting facility is judged based on the purity of the output material (grade) and the recovery of the input material. A validation of the model was performed via a case study on Belgian post-consumer packaging waste with a selection of typical waste items that can be found in this stream. Moreover, the model was used to predict the possible sorting qualities of future Belgian postconsumer packaging waste after an extension of the allowed waste packaging items in the waste stream. Finally, a sensitivity analysis was performed on the split factors, which are a key data source in the model. Overall, the developed model is flexible and able to predict the performance of packaging waste sorting facilities as well as support waste management and design for recycling decisions, including future design of packaging, to ensure proper sorting and separation. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2020-12-16 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0956053X | ISBN | Additional Links | ||
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | We would like to thank Indaver (https://www.indaver.com/been/home/), especially Erik Huybrechts, Eric Goddaert, Eline Meyvis and Erik Moerman, for their great support on this research. Furthermore, we would like to acknowledge the help of Colruyt (https://www.colruyt.be/) and CEFLEX (https://ceflex.eu/) for the pre-studies for this research. Moreover, we would like to show our appreciation for the financial support by the Catalisti-ICON project (HBC.2018.0262) MATTER (Mechanical and Thermochemical Recycling of mixed plastic waste) funded by Flanders Innovation & Entrepreneurship (VLAIO). We also thank the Interreg 2 Seas program PlastiCity that is co-funded by the European Regional Development Fund under subsidy contract No. 2S05-021 and the province of East-Flanders for funding this research. | Approved | Most recent IF: NA | ||
| Call Number | ENM @ enm @ | Serial | 6667 | ||
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| Author | Esguerra, J.L. | ||||
| Title |
Developing strategies for improved economic performance and reduced climate impact of landfill mining in Europe | Type | Doctoral thesis | ||
| Year | 2021 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | xiv, 99 p. | ||
| Keywords | Doctoral thesis; Economics; Engineering Management (ENM) | ||||
| Abstract | Landfill mining refers to the re-circulation of resources from the previously deposited wastes–integrating resource recovery with traditional site remediation. Several resources that can be recovered include scrap metals, combustibles, and inert materials. In addition, land can be recovered or landfill void space can be liberated for future wastes. At present, landfill mining is still an emerging concept with few project implementations. Consequently, the assessments of its economic and climate implications are case study-specific, limiting the understanding of its potential in a wider geographical scope. This thesis aims to assess the economic performance and climate impact of landfill mining in Europe towards the development of sound strategies for implementation. Different project setups are assessed in relation to varying factors at the site level such as waste composition and landfill settings, and at the system level such as policy and market conditions and background material and energy. In doing so, a factor-based method is developed and applied to generate multiple scenarios (531, 441 scenarios per project setup) and determine the underlying important factors and their interrelations that drive the results. Such understanding is used to develop and discuss strategies for improvement by addressing relevant questions for specific stakeholders, including project investors (i.e., which landfill sites to prioritize?), landfill mining practitioners (i.e., how to set up such projects?), and policymakers (i.e., which policy instruments can effectively support such projects?). Results show that landfill mining is preferable in terms of climate than economy. Possible improvements are shown by internalizing thermal treatment of combustibles and extending fines residue utilization as construction aggregates. In relation to the choice of project setups, preferable site and system-level conditions are identified in general but it is also discussed that the plausibility of finding such conditions may be difficult at present. This steers the development of more tailored strategies on what can be done now by the landfill practitioners in terms of setting up projects under current policy and market conditions in specific regions, or what can be done by the policymakers in terms of implementing various policy instruments that can drive such changes at the system level. Through this thesis, the future of landfill mining research is guided towards addressing key challenges and potential solutions for improvement. Furthermore, this thesis highlights the role of assessment as a tool for learning and guiding the development of emerging concepts such as landfill mining. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | 978-91-7929-056-6 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:183155 | Serial | 6920 | ||
| Permanent link to this record | |||||