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Author Kelly, S.; Bogaerts, A.
Title Nitrogen fixation in an electrode-free microwave plasma Type A1 Journal Article
Year 2021 Publication Joule Abbreviated Journal Joule
Volume 5 Issue 11 Pages 3006-3030
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Plasma-based gas conversion has great potential for enabling carbon-free fertilizer production powered by renewable electricity. Sustaining an energy-efficient plasma process without eroding the containment vessel is currently a significant challenge, limiting scaling to higher powers and throughputs. Isolation of the plasma from contact with any solid surfaces is an advantage, which both limits energy loss to the walls and prevents material erosion that could lead to disastrous soil contamination. This paper presents highly energy-efficient nitrogen fixation from air into NOx by microwave plasma, with the plasma filament isolated at the center of a quartz tube using a vortex gas flow. NOx production is found to scale very efficiently when increasing both gas flow rate and absorbed power. The lowest energy cost recorded of ~2 MJ/mol, for a total NOx production of ~3.8%, is the lowest reported up to now for atmospheric pressure plasmas.
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Publisher Place of Publication Editor
Language Wos 000723010700018 Publication Date (up) 2021-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2542-4351 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes We acknowledge financial support by the European Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182 – SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. We thank Dr. Waldo Bongers and Dr. Floran Peeters of the DIFFER institute for their help and advice in the initial phase of the project, as well as Mr. Luc van‘t Dack, Dr. Karen Leyssens and Ing. Karel Venken for their technical assistance. We thank Dr. Klaus Werner, executive director of the RF Energy Alliance, for his extensive expertise and helpful discourse regarding solid-state MW technology. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:184250 Serial 6835
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Author Bartholomeeusen, E.; De Cremer, G.; Kennes, K.; Hammond, C.; Hermans, I.; Lu, J.-B.; Schryvers, D.; Jacobs, P.A.; Roeffaers, M.B.J.; Hofkens, J.; Sels, B.F.; Coutino-Gonzalez, E.
Title Optical encoding of luminescent carbon nanodots in confined spaces Type A1 Journal article
Year 2021 Publication Chemical Communications Abbreviated Journal Chem Commun
Volume 57 Issue 90 Pages 11952-11955
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Stable emissive carbon nanodots were generated in zeolite crystals using near infrared photon irradiation gradually converting the occluded organic template, originally used to synthesize the zeolite crystals, into discrete luminescent species consisting of nano-sized carbogenic fluorophores, as ascertained using Raman microscopy, and steady-state and time-resolved spectroscopic techniques. Photoactivation in a confocal laser fluorescence microscope allows 3D resolved writing of luminescent carbon nanodot patterns inside zeolites providing a cost-effective and non-toxic alternative to previously reported metal-based nanoclusters confined in zeolites, and opens up opportunities in bio-labelling and sensing applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000711122000001 Publication Date (up) 2021-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345; 1364-548x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 6.319
Call Number UA @ admin @ c:irua:184147 Serial 6876
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Author Van Loenhout, J.; Freire Boullosa, L.; Quatannens, D.; De Waele, J.; Merlin, C.; Lambrechts, H.; Lau, H.W.; Hermans, C.; Lin, A.; Lardon, F.; Peeters, M.; Bogaerts, A.; Smits, E.; Deben, C.
Title Auranofin and Cold Atmospheric Plasma Synergize to Trigger Distinct Cell Death Mechanisms and Immunogenic Responses in Glioblastoma Type A1 Journal Article;oxidative stress
Year 2021 Publication Cells Abbreviated Journal Cells
Volume 10 Issue 11 Pages 2936
Keywords A1 Journal Article;oxidative stress; auranofin; cold atmospheric plasma; glioblastoma; cancer cell death; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract Targeting the redox balance of malignant cells via the delivery of high oxidative stress unlocks a potential therapeutic strategy against glioblastoma (GBM). We investigated a novel reactive oxygen species (ROS)-inducing combination treatment strategy, by increasing exogenous ROS via cold atmospheric plasma and inhibiting the endogenous protective antioxidant system via auranofin (AF), a thioredoxin reductase 1 (TrxR) inhibitor. The sequential combination treatment of AF and cold atmospheric plasma-treated PBS (pPBS), or AF and direct plasma application, resulted in a synergistic response in 2D and 3D GBM cell cultures, respectively. Differences in the baseline protein levels related to the antioxidant systems explained the cell-line-dependent sensitivity towards the combination treatment. The highest decrease of TrxR activity and GSH levels was observed after combination treatment of AF and pPBS when compared to AF and pPBS monotherapies. This combination also led to the highest accumulation of intracellular ROS. We confirmed a ROS-mediated response to the combination of AF and pPBS, which was able to induce distinct cell death mechanisms. On the one hand, an increase in caspase-3/7 activity, with an increase in the proportion of annexin V positive cells, indicates the induction of apoptosis in the GBM cells. On the other hand, lipid peroxidation and inhibition of cell death through an iron chelator suggest the involvement of ferroptosis in the GBM cell lines. Both cell death mechanisms induced by the combination of AF and pPBS resulted in a significant increase in danger signals (ecto-calreticulin, ATP and HMGB1) and dendritic cell maturation, indicating a potential increase in immunogenicity, although the phagocytotic capacity of dendritic cells was inhibited by AF. In vivo, sequential combination treatment of AF and cold atmospheric plasma both reduced tumor growth kinetics and prolonged survival in GBM-bearing mice. Thus, our study provides a novel therapeutic strategy for GBM to enhance the efficacy of oxidative stress-inducing therapy through a combination of AF and cold atmospheric plasma.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000807134000001 Publication Date (up) 2021-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4409 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Olivia Hendrickx Research Fund, 21OCL06 ; University of Antwerp, FFB160231 ; The authors would express their gratitude to Hans de Reu for technical assistance with flow cytometry. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:182915 Serial 6826
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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 (up) 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
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Author Zhu, W.; Van Tendeloo, M.; Xie, Y.; Timmer, M.J.; Peng, L.; Vlaeminck, S.E.
Title Storage without nitrite or nitrate enables the long-term preservation of full-scale partial nitritation/anammox sludge Type A1 Journal article
Year 2022 Publication The science of the total environment Abbreviated Journal Sci Total Environ
Volume 806 Issue 3 Pages 151330
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Bioaugmentation with summer harvested sludge during winter could compensate for bacterial activity loss but requires that sludge activity can be restored after storage. This study assesses the effect of temperature and redox adjustment during the storage over 180 days of partial nitritation/anammox (PN/A) granular resp. floccular sludge from potato processing resp. sludge reject water treatment. Anoxic storage conditions (in the presence of nitrite or nitrate and the absence of oxygen) resulted in a loss of 80-100% of the anammox bacteria (AnAOB) activity capacity at 20 degrees C and 4 degrees C, while anaerobic conditions (without oxygen, nitrite, and nitrate) lost only 45-63%. Storage at 20 degrees C was more cost-effective compared to 4 degrees C, and this was confirmed in the sludge reactivation experiment (20 CC). Furthermore, AnAOB activity correlated negatively with the electrical conductivity level (R-2 > 0.85, p < 0.05), so strong salinity increases should be avoided. No significant differences were found in the activity capacity of aerobic ammonia-oxidizing bacteria (AerAOB) under different storage conditions (p > 0.1). The relative abundance of dominant AnAOB (Candidatus Brocadia) and AerAOB genera (Nitrosomonas) remained constant in both sludges. In conclusion, preserving PN/A biomass without cooling and nitrite or nitrate addition proved to be a cost-effective strategy. (C) 2021 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000740216300013 Publication Date (up) 2021-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0048-9697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 9.8
Call Number UA @ admin @ c:irua:185447 Serial 7213
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Author Lin, A.; Biscop, E.; Gorbanev, Y.; Smits, E.; Bogaerts, A.
Title Toward defining plasma treatment dose : the role of plasma treatment energy of pulsed‐dielectric barrier discharge in dictating in vitro biological responses Type A1 Journal article
Year 2022 Publication Plasma Processes And Polymers Abbreviated Journal Plasma Process Polym
Volume 19 Issue 3 Pages e2100151
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The energy dependence of a pulsed-dielectric barrier discharge (DBD) plasma treatment on chemical species production and biological responses was investigated. We hypothesized that the total plasma energy delivered during treatment encompasses the influence of major application parameters. A microsecond-pulsed DBD system was used to treat three different cancer cell lines and cell viability was analyzed. The energy per pulse was measured and the total plasma treatment energy was controlled by adjusting the pulse frequency, treatment time, and application distance. Our data suggest that the delivered plasma energy plays a predominant role in stimulating a biological response in vitro. This study aids in developing steps toward defining a plasma treatment unit and treatment dose for biomedical and clinical research.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000711907800001 Publication Date (up) 2021-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.5
Call Number UA @ admin @ c:irua:182916 Serial 7219
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Author Alvarez-Martin, A.; Newsome, G.A.; Janssens, K.
Title High-resolution mass spectrometry and nontraditional mass defect analysis of brominated historical pigments Type A1 Journal article
Year 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem
Volume 93 Issue 44 Pages 14851-14858
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract The implementation of high-resolution mass spectrometry systems offers new possibilities for the analysis of complex art samples such as historical oil paintings. However, these multicomponent systems generate large and complex data sets that require advanced visualization tools to aid interpretation, especially when no chromatographic separation is performed. In the context of this research, it was crucial to propose a data analysis tool to identify the products generated during the synthesis, drying, and aging of historical pigments. This study reports for the first time a nontraditional mass defect analysis of oil paint samples containing a fugitive brominated-organic pigment, eosin or geranium lake, by using direct infusion electrospray ionization in combination with a high-resolution Orbitrap mass spectrometer. The use of nontraditional Kendrick mass defect plots is presented in this study as a processing and visualization tool to recognize brominated species based on their specific mass defect and isotope pattern. The results demonstrate that this approach could provide valuable molecular compositional information on the degradation pathways of this pigment. We anticipate that mass defect analysis will become highly relevant in future degradation studies of many more historical organic pigments.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000718171600037 Publication Date (up) 2021-10-29
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 OpenAccess
Notes Approved Most recent IF: 6.32
Call Number UA @ admin @ c:irua:182347 Serial 8038
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Author Van Tendeloo, M.; Bundervoet, B.; Carlier, N.; Van Beeck, W.; Mollen, H.; Lebeer, S.; Colsen, J.; Vlaeminck, S.E.
Title Piloting carbon-lean nitrogen removal for energy-autonomous sewage treatment Type A1 Journal article
Year 2021 Publication Environmental Science-Water Research & Technology Abbreviated Journal Environ Sci-Wat Res
Volume 7 Issue 12 Pages 2268-2281
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Energy-autonomous sewage treatment can be achieved if nitrogen (N) removal does not rely on organic carbon (∼chemical oxygen demand, COD), so that a maximum of the COD can be redirected to energy recovery. Shortcut N removal technologies such as partial nitritation/anammox and nitritation/denitritation are therefore essential, enabling carbon- and energy-lean nitrogen removal. In this study, a novel three-reactor pilot design was tested and consisted of a denitrification, an intermittent aeration, and an anammox tank. A vibrating sieve was added for differential sludge retention time (SRT) control. The 13 m3 pilot was operated on pre-treated sewage (A-stage effluent) at 12–24 °C. Selective suppression of unwanted nitrite-oxidizing bacteria over aerobic ammonium-oxidizing bacteria was achieved with strict floccular SRT management combined with innovative aeration control, resulting in a minimal nitrate production ratio of 17 ± 10%. Additionally, anoxic ammonium-oxidizing bacteria (AnAOB) activity could be maintained in the reactor for at least 150 days because of long granular SRT management and the anammox tank. Consequently, the COD/N removal ratio of 2.3 ± 0.7 demonstrated shortcut N removal almost three times lower than the currently applied nitrification/denitrification technology. The effluent total N concentrations of 17 ± 3 mg TN per L (at 21 ± 1 °C) and 17 ± 6 mg TN per L (at 15 ± 1 °C) were however too high for application at the sewage treatment plant Nieuwveer (Breda, The Netherlands). Corresponding N removal efficiencies were 52 ± 12% and 37 ± 21%, respectively. Further development should focus on redirecting more nitrite to AnAOB in the B-stage, exploring effluent-polishing options, or cycling nitrate for increased A-stage denitrification.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000714159900001 Publication Date (up) 2021-10-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1400 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.817 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.817
Call Number UA @ admin @ c:irua:183347 Serial 8383
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Author Bal, K.M.
Title Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work Type A1 Journal article
Year 2021 Publication Journal Of Chemical Theory And Computation Abbreviated Journal J Chem Theory Comput
Volume 17 Issue 11 Pages 6766-6774
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000718183600008 Publication Date (up) 2021-10-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.245
Call Number UA @ admin @ c:irua:184676 Serial 8479
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Author Parrilla, M.; Vanhooydonck, A.; Watts, R.; De Wael, K.
Title Wearable wristband-based electrochemical sensor for the detection of phenylalanine in biofluids Type A1 Journal article
Year 2022 Publication Biosensors and bioelectronics Abbreviated Journal
Volume 197 Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Wearable electrochemical sensors are driven by the user-friendly capability of on-site detection of key biomarkers for health management. Despite the advances in biomolecule monitoring such as glucose, still, several unmet clinical challenges need to be addressed. For example, patients suffering from phenylketonuria (PKU) should be able to monitor their phenylalanine (PHE) level in a rapid, decentralized, and affordable manner to avoid high levels of PHE in the body which can lead to a profound and irreversible mental disability. Herein, we report a wearable wristband electrochemical sensor for the monitoring of PHE tackling the necessity of controlling PHE levels in PHE hydroxylase deficiency patients. The proposed electrochemical sensor is based on a screen-printed electrode (SPE) modified with a membrane consisting of Nafion, to avoid interferences in biofluids. The membrane also consists of sodium 1,2-naphthoquinone-4-sulphonate for the in situ derivatization of PHE into an electroactive product, allowing its electrochemical oxidation at the surface of the SPE in alkaline conditions. Importantly, the electrochemical sensor is integrated into a wristband configuration to enhance user interaction and engage the patient with PHE self-monitoring. Besides, a paper-based sampling strategy is designed to alkalinize the real sample without the need for sample pretreatment, and thus simplify the analytical process. Finally, the wearable device is tested for the determination of PHE in saliva and blood serum. The proposed wristband-based sensor is expected to impact the PKU self-monitoring, facilitating the daily lives of PKU patients toward optimal therapy and disease management.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000719366400003 Publication Date (up) 2021-11-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0956-5663 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved no
Call Number UA @ admin @ c:irua:183086 Serial 8957
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Author Maes, R.R.; Potters, G.; Fransen, E.; Cayetano, F.C.; Van Schaeren, R.; Lenaerts, S.
Title Finding the optimal fatty acid composition for biodiesel improving the emissions of a one-cylinder diesel generator Type A1 Journal article
Year 2021 Publication Sustainability Abbreviated Journal Sustainability-Basel
Volume 13 Issue 21 Pages 12089
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Nitrogen oxides (NOx) and particulate matter (PM) currently are the main pollutants emitted by diesel engines. While there is a start in using hybrid and electric cars, ships will still be fueled by mineral oil products. In the quest to achieve zero-pollution and carbon-free shipping, alternative forms of energy carriers must be found to replace the commonly used mineral oil products. One of the possible alternative fuels is biodiesel. This paper explores the optimization of the composition of biodiesel in order to reduce the concentration of particulate matter and NOx in exhaust gases of a one-cylinder diesel generator.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000719122800001 Publication Date (up) 2021-11-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2071-1050 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.789 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.789
Call Number UA @ admin @ c:irua:184041 Serial 7969
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Author Zhang, T.; Schilling, W.; Khan, S.U.; Ching, H.Y.V.; Lu, C.; Chen, J.; Jaworski, A.; Barcaro, G.; Monti, S.; De Wael, K.; Slabon, A.; Das, S.
Title Atomic-level understanding for the enhanced generation of hydrogen peroxide by the introduction of an aryl amino group in polymeric carbon nitrides Type A1 Journal article
Year 2021 Publication Acs Catalysis Abbreviated Journal Acs Catal
Volume 11 Issue 22 Pages 14087-14101
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Heterogeneous catalysts are often & ldquo;black boxes & rdquo; due to the insufficient understanding of the detailed mechanisms at the catalytic sites. An atomic-level elucidation of the processes taking place in those regions is, thus, mandatory to produce robust and selective heterogeneous catalysts. We have improved the description of the whole reactive scenario for polymeric carbon nitrides (PCN) by combining atomic-level characterizations with magic-angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) spectroscopy, classical reactive molecular dynamics (RMD) simulations, and quantum chemistry (QC) calculations. We disclose the structure & minus;property relationships of an ad hoc modified PCN by inserting an aryl amino group that turned out to be very efficient for the production of H2O2. The main advancement of this work is the development of a difluoromethylene-substituted aryl amino PCN to generate H2O2 at a rate of 2.0 mM & middot;h & minus;1 under the irradiation of household blue LEDs and the identification of possible active catalytic sites with the aid of 15N and 19F MAS solid-state NMR without using any expensive labeling reagent. RMD simulations and QC calculations confirm and further extend the experimental descriptions by revealing the role and locations of the identified functionalities, namely, NH linkers, & minus;NH2 terminal groups, and difluoromethylene units, reactants, and products. <comment>Superscript/Subscript Available</comment
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000758012900020 Publication Date (up) 2021-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.614 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 10.614
Call Number UA @ admin @ c:irua:187276 Serial 7534
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Author Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
Title Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures Type A1 Journal article
Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater
Volume Issue Pages 015018
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000722020100001 Publication Date (up) 2021-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.937 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.937
Call Number UA @ admin @ c:irua:183053 Serial 7036
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Ab initio modeling of few-layer dilute magnetic semiconductors Type P1 Proceeding
Year 2021 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2021, Dallas, TX Abbreviated Journal
Volume Issue Pages 141-145
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We present a computational model to model the magnetic structure of two-dimensional (2D) dilute-magnetic-semiconductors (DMS) both the monolayers and multilayers using first-principles density functional theory (DFT), as well as their magnetic phase transition as a function of temperature using Monte-Carlo simulations. Using our method, we model the magnetic structure of bulk, bilayer, and monolayer MoS2 substitutionally doped with Fe atoms. We find that the out-of-plane interaction in bilayer MoS2 is weakly ferromagnetic, whereas in bulk MoS2 it is strongly anti-ferromagnetic. Finally, we show that the magnetic order is more robust in bilayer Fe-doped MoS2 compared to the monolayer and results in a room-temperature FM at an atomic substitution of 14-16%.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000766985400034 Publication Date (up) 2021-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-6654-0685-7 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:187291 Serial 7401
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Author Arslan Irmak, E.; Liu, P.; Bals, S.; Van Aert, S.
Title 3D Atomic Structure of Supported Metallic Nanoparticles Estimated from 2D ADF STEM Images: A Combination of Atom – Counting and a Local Minima Search Algorithm Type A1 Journal article
Year 2021 Publication Small methods Abbreviated Journal Small Methods
Volume Issue Pages 2101150
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Determining the three-dimensional (3D) atomic structure of nanoparticles (NPs) is critical to understand their structure-dependent properties. It is hereby important to perform such analyses under conditions relevant for the envisioned application. Here, we investigate the 3D structure of supported Au NPs at high temperature, which is of importance to understand their behavior during catalytic reactions. To overcome limitations related to conventional high-resolution electron tomography at high temperature, 3D characterization of NPs with atomic resolution has been performed by applying atom-counting using atomic resolution annular darkfield scanning transmission electron microscopy (ADF STEM) images followed by structural relaxation. However, at high temperatures, thermal displacements, which affect the ADF STEM intensities, should be taken into account. Moreover, it is very likely that the structure of a NP investigated at elevated temperature deviates from a ground state configuration, which is difficult to determine using purely computational energy minimization approaches. In this paper, we therefore propose an optimized approach using an iterative local minima search algorithm followed by molecular dynamics (MD) structural relaxation of candidate structures associated with each local minimum. In this manner, it becomes possible to investigate the 3D atomic structure of supported NPs, which may deviate from their ground state configuration.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000716511600001 Publication Date (up) 2021-11-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2366-9608 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 12 Open Access OpenAccess
Notes This work was supported by the European Research Council (Grant 815128 REALNANO to SB, Grant 770887 PICOMETRICS to SVA, Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project funding (G.0267.18N, G.0502.18N, G.0346.21N).; sygmaSB; esteem3jra; esteem3reported Approved Most recent IF: NA
Call Number EMAT @ emat @c:irua:183289 Serial 6820
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Author Milošević, M.V.; Mandrus, D.
Title 2D quantum materials : magnetism and superconductivity Type A1 Journal article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 130 Issue 18 Pages 180401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000720289900004 Publication Date (up) 2021-11-11
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
Impact Factor 2.068 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.068
Call Number UA @ admin @ c:irua:184090 Serial 6963
Permanent link to this record
 

 
Author Jannis, D.; Hofer, C.; Gao, C.; Xie, X.; Béché, A.; Pennycook, Tj.; Verbeeck, J.
Title Event driven 4D STEM acquisition with a Timepix3 detector: Microsecond dwell time and faster scans for high precision and low dose applications Type A1 Journal article
Year 2022 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 233 Issue Pages 113423
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Four dimensional scanning transmission electron microscopy (4D STEM) records the scattering of electrons in a material in great detail. The benefits offered by 4D STEM are substantial, with the wealth of data it provides facilitating for instance high precision, high electron dose efficiency phase imaging via centre of mass or ptychography based analysis. However the requirement for a 2D image of the scattering to be recorded at each probe position has long placed a severe bottleneck on the speed at which 4D STEM can be performed. Recent advances in camera technology have greatly reduced this bottleneck, with the detection efficiency of direct electron detectors being especially well suited to the technique. However even the fastest frame driven pixelated detectors still significantly limit the scan speed which can be used in 4D STEM, making the resulting data susceptible to drift and hampering its use for low dose beam sensitive applications. Here we report the development of the use of an event driven Timepix3 direct electron camera that allows us to overcome this bottleneck and achieve 4D STEM dwell times down to 100 ns; orders of magnitude faster than what has been possible with frame based readout. We characterize the detector for different acceleration voltages and show that the method is especially well suited for low dose imaging and promises rich datasets without compromising dwell time when compared to conventional STEM imaging.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000734396800003 Publication Date (up) 2021-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.2 Times cited 31 Open Access OpenAccess
Notes This project has received funding from the Euro- pean Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3. J.V. and A.B. acknowledge funding from FWO project G093417N (‘Compressed sensing enabling low dose imaging in transmission electron microscopy’). J.V. and D.J. ac- knowledge funding from FWO project G042920N ‘Co- incident event detection for advanced spectroscopy in transmission electron microscopy’. We acknowledge funding under the European Union’s Horizon 2020 re- search and innovation programme (J.V. and D.J un- der grant agreement No 101017720, FET-Proactive EBEAM, and C.H., C.G., X.X. and T.J.P. from the Eu- ropean Research Council (ERC) Grant agreement No. 802123-HDEM).; esteem3JRA; esteem3reported Approved Most recent IF: 2.2
Call Number EMAT @ emat @c:irua:183948 Serial 6828
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Author Robert, Hl.; Lobato, I.; Lyu, Fj.; Chen, Q.; Van Aert, S.; Van Dyck, D.; Müller-Caspary, K.
Title Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution Type A1 Journal article
Year 2022 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 233 Issue Pages 113425
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission

electron microscopy under varying illumination conditions. As we perform successive changes of the probe

focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave.

With support from extensive simulations, each signal is shown to be characterised by an optimum focus for

which the contrast is maximum and which differs among different signals. For instance, a systematic focus

mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical

composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single

recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most

importantly, we demonstrate in experiment and simulation that the second moment (
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000734396800009 Publication Date (up) 2021-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.2 Times cited Open Access OpenAccess
Notes We thank Dr. Florian Winkler for valuable discussions and experimental work at the early stages of this study. This work was supported by the Initiative and Network Fund of the Helmholtz Association (Germany) under contracts VH-NG-1317 and ZT-I-0025. This project furthermore received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No. 770887). Approved Most recent IF: 2.2
Call Number EMAT @ emat @c:irua:184833 Serial 6898
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Author Barich, H.; Cánovas, R.; De Wael, K.
Title Electrochemical identification of hazardous phenols and their complex mixtures in real samples using unmodified screen-printed electrodes Type A1 Journal article
Year 2022 Publication Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. Abbreviated Journal J Electroanal Chem
Volume 904 Issue Pages 115878
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract The electrochemical behavior of some of the most relevant endocrine-disrupting phenols using unmodified carbon screen-printed electrodes (SPEs) is described for the first time. Experiments were made to assess the electrochemical behavior of phenol (PHOH), pentachlorophenol (PCP), 4-tert octylphenol (OP) and bisphenol A (BPA) and their determination in the most favorable conditions, using voltammetric methods such as cyclic voltammetry (CV), linear sweep voltammetry (LSV) and square wave voltammetry (SWV) in Britton Robinson (BR) buffer. Further, the usefulness of the electrochemical approach was validated with real samples from a local river and was compared to commercial phenols test kit, which is commonly used for on-site screening in industrial streams and wastewaters. Finally, the approach was compared with a lab-bench standard method using real samples, i.e., high-performance liquid chromatography with a photodiode array detector (HPLC-DAD).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000741151200005 Publication Date (up) 2021-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1572-6657; 1873-2569 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.5 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.5
Call Number UA @ admin @ c:irua:184384 Serial 7150
Permanent link to this record
 

 
Author Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B.
Title Tailoring dirac plasmons via anisotropic dielectric environment by design Type A1 Journal article
Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 16 Issue 5 Pages 054030
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000720372500002 Publication Date (up) 2021-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.808 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 4.808
Call Number UA @ admin @ c:irua:184063 Serial 7028
Permanent link to this record
 

 
Author Mushtaq, A.; Pradhan, B.; Kushavah, D.; Zhang, Y.; Wolf, M.; Schrenker, N.; Fron, E.; Bals, S.; Hofkens, J.; Debroye, E.; Pal, S.K.
Title Third-Order Nonlinear Optical Properties and Saturation of Two-Photon Absorption in Lead-Free Double Perovskite Nanocrystals under Femtosecond Excitation Type A1 Journal article
Year 2021 Publication Acs Photonics Abbreviated Journal Acs Photonics
Volume 8 Issue 11 Pages 3365-3374
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Lead halide perovskites have been widely explored

in the field of photovoltaics, light-emitting diodes, and lasers due to

their outstanding linear and nonlinear optical (NLO) properties.

But, the presence of lead toxicity and low chemical stability remain

serious concerns. Lead-free double perovskite with excellent

optical properties and chemical stability could be an alternative.

However, proper examination of the NLO properties of such a

material is crucial to identify their utility for future nonlinear device

applications. Herein, we have made use of femtosecond (fs) Z-scan

technique to explore the NLO properties of Cs2AgIn0.9Bi0.1Cl6

nanocrystals (NCs). Our measurements suggest that under

nonresonant fs excitation, perovskite NCs exhibit strong twophoton

absorption (TPA). The observed saturation of TPA at high

light intensities has been explained by a customized model. Furthermore, we have demonstrated a change in the nonlinear refractive

index of the NCs under varying input intensities. The strong TPA absorption of lead-free double perovskite NCs could be used for

Kerr nonlinearity-based nonlinear applications such as optical shutters for picosecond lasers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000757024100028 Publication Date (up) 2021-11-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.756 Times cited 25 Open Access OpenAccess
Notes A.M. is thankful to IIT Mandi for his fellowship and Advanced Materials Research Centre for the experimental facilities. A.M. is also thankful to Torbjörn Pascher (Pascher Instrument) for writing the Z-scan data acquisition program. J.H. acknowledges financial support from the Research Foundation-Flanders (FWO, Grant No. G983.19N, G0A5817N, and G0H6316N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). B.P. acknowledges postdoctoral fellowship from the Research Foundation- Flanders (FWO Grant No. 1275521N). D.K. acknowledges the financial support from Science and Engineering Research Board (Grant No. PDF/2018/003146), India. N.J.S. acknowledges financial support from the Research Foundation- Flanders via a postdoctoral fellowship (FWO Grant No. 1238622N). Approved Most recent IF: 6.756
Call Number EMAT @ emat @c:irua:184249 Serial 6832
Permanent link to this record
 

 
Author Monico, L.; Prati, S.; Sciutto, G.; Catelli, E.; Romani, A.; Balbas, D.Q.; Li, Z.; De Meyer, S.; Nuyts, G.; Janssens, K.; Cotte, M.; Garrevoet, J.; Falkenberg, G.; Tardillo Suarez, V.I.; Tucoulou, R.; Mazzeo, R.
Title Development of a multi-method analytical approach based on the combination of synchrotron radiation X-ray micro-analytical techniques and vibrational micro-spectroscopy methods to unveil the causes and mechanism of darkening of “fake-gilded” decorations in a Cimabue painting Type A1 Journal article
Year 2022 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 37 Issue 1 Pages 114-129
Keywords A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract Redox processes activated by environmental factors have been identified as the main cause of the chromatic alterations of a number of artists' pigments, including the yellow pigment orpiment (As2S3). Although a general comprehension of the mechanisms has been provided through characterization of degradation compounds of As2S3, experimental evidences to prove how other paint components and how different environmental agents influence the formation pathways of specific secondary compounds are still lacking. Thus, it becomes fundamental to develop a methodological strategy which enable achieving a discrimination among the causes affecting the chemical stability of more heterogenous As2S3-based paints and defining the mechanism through which the alteration establishes and evolves, with the ultimate goal of optimizing the preventive conservation measures of unique masterpieces. In this paper, we propose a comprehensive multi-material and multi-method approach based on the combination of synchrotron radiation X-ray micro-analytical techniques (i.e., X-ray diffraction, X-ray fluorescence and X-ray absorption near edge structure spectroscopy at S K-/Ag L-3-/As K-edges) and vibrational micro-spectroscopy methods to unveil the causes and mechanism of darkening of “fake-gilded” decorations in tempera paintings, originally consisting of an unusual mixture of As2S3 and metallic silver (Ag-0). Such degradation process is a not yet understood phenomenon threatening a series of Old Master paintings, including those by the Italian painters Cimabue and Pietro Lorenzetti. The high specificity, sensitivity and lateral resolution of the employed analytical methods allowed providing first-time evidence for the presence of black acanthite (alpha-Ag2S), mimetite [Pb-5(AsO4)(3)Cl] and syngenite [K2Ca(SO4)(2)center dot H2O] as degradation products of the “fake-gilded” decorations in the Maesta by Cimabue (Church of Santa Maria dei Servi, Bologna, Italy). Furthermore, the study of the painting combined with that of tempera paint mock-ups permitted to explore and define the environmental agents and internal factors causing the darkening, by proving that: (i) Ag-0 and moisture are key-factors for triggering the transformation of As2S3 to alpha-Ag2S and As-oxides; (ii) S2--ions arising from the degradation of As2S3 are the main responsible for the formation of alpha-Ag2S; (iii) light exposure strengthens the tendency of the paint components towards alteration. Based on our findings, we finally propose a degradation mechanism of As2S3/Ag-0-based tempera paints.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000722353400001 Publication Date (up) 2021-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.4
Call Number UA @ admin @ c:irua:184871 Serial 7142
Permanent link to this record
 

 
Author Puglisi, A.; Bassini, S.; Reimhult, E.
Title Cyclodextrin-appended superparamagnetic iron oxide nanoparticles as cholesterol-mopping agents Type A1 Journal article
Year 2021 Publication Frontiers In Chemistry Abbreviated Journal Front Chem
Volume 9 Issue Pages 795598
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Cholesterol plays a crucial role in major cardiovascular and neurodegenerative diseases, including Alzheimer’s disease and rare genetic disorders showing altered cholesterol metabolism. Cyclodextrins (CDs) have shown promising therapeutic efficacy based on their capacity to sequester and mobilise cholesterol. However, the administration of monomeric CDs suffers from several drawbacks due to their lack of specificity and poor pharmacokinetics. We present core-shell superparamagnetic iron oxide nanoparticles (SPIONs) functionalised with CDs appended to poly (2-methyl-2-oxazoline) polymers grafted in a dense brush to the iron oxide core. The CD-decorated nanoparticles (CySPIONs) are designed so that the macrocycle is specifically cleaved off the nanoparticle’s shell at a slightly acidic pH. In the intended use, free monomeric CDs will then mobilise cholesterol out of the lysosome to the cytosol and beyond through the formation of an inclusion complex. Hence, its suitability as a therapeutic platform to remove cholesterol in the lysosomal compartment. Synthesis and full characterization of the polymer as well as of the core-shell SPION are presented. Cholesterol-binding activity is shown through an enzymatic assay.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (up) 2021-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-2646 ISBN Additional Links UA library record
Impact Factor 3.994 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3.994
Call Number UA @ admin @ c:irua:192273 Serial 7749
Permanent link to this record
 

 
Author Xiaoyan, S.; Zhang, Y.-R.; Wang, Y.-N.; He, J.-X.
Title Fluid simulation of the superimposed dual-frequency source effect in inductively coupled discharges Type A1 Journal article
Year 2021 Publication Physics Of Plasmas Abbreviated Journal Phys Plasmas
Volume 28 Issue 11 Pages 113504-113510
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Superimposition of dual frequencies (DFs) is one of the methods used for controlling plasma distribution in an inductively coupled plasma (ICP) source. The effects of a superimposed DF on the argon plasma characteristics have been investigated using a two-dimensional self-consistent fluid model. When both currents are fixed at 6A, the plasma density drops with decrease in one of the source frequencies due to less efficient heating and the plasma uniformity improves significantly. Moreover, for ICP operated with superimposed DFs (i.e., 4.52MHz/13.56MHz and 2.26MHz/13.56MHz), the current source exhibits the same period as the low frequency (LF) component, and the plasma density is higher than that obtained at a single frequency (i.e., 4.52 and 2.26MHz) with the same total current of 12A. However, at superimposed current frequencies of 6.78MHz/13.56MHz, the plasma density is lower than that obtained at a single frequency of 6.78MHz due to the weaker negative azimuthal electric field between two positive maxima during one period of 6.78MHz. When the superimposed DF ICP operates at 2.26 and 13.56MHz, the rapid oscillations of the induced electric field become weaker during one period of 2.26MHz as the current ratio of 2.26MHz/13.56MHz rises from 24A/7 A to 30A/1 A, and the plasma density drops with the current ratio due to weakened electron heating. The uniformity of plasma increases due to sufficient diffusion under the low-density condition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000760326100004 Publication Date (up) 2021-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664x ISBN Additional Links UA library record; WoS full record
Impact Factor 2.115 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.115
Call Number UA @ admin @ c:irua:187245 Serial 7974
Permanent link to this record
 

 
Author Walters, A.A.; Santacana-Font, G.; Li, J.; Routabi, N.; Qin, Y.; Claes, N.; Bals, S.; Tzu-Wen Wang, J.; Al-Jamal, K.T.
Title Nanoparticle-MediatedIn SituMolecular Reprogramming of Immune Checkpoint Interactions for Cancer Immunotherapy Type A1 Journal article
Year 2021 Publication Acs Nano Abbreviated Journal Acs Nano
Volume 15 Issue 11 Pages 17549-17564
Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Immune checkpoint blockade involves targeting immune

regulatory molecules with antibodies. Preclinically, complex multiantibody

regimes of both inhibitory and stimulatory targets are a promising

candidate for the next generation of immunotherapy. However, in this

setting, the antibody platform may be limited due to excessive toxicity

caused by off target effects as a result of systemic administration. RNA

can be used as an alternate to antibodies as it can both downregulate

immunosuppressive checkpoints (siRNA) or induce expression of

immunostimulatory checkpoints (mRNA). In this study, we demonstrate

that the combination of both siRNA and mRNA in a single

formulation can simultaneously knockdown and induce expression of

immune checkpoint targets, thereby reprogramming the tumor

microenvironment from immunosuppressive to immunostimulatory

phenotype. To achieve this, RNA constructs were synthesized and

formulated into stable nucleic acid lipid nanoparticles (SNALPs); the SNALPs produced were 140−150 nm in size with >80%

loading efficiency. SNALPs could transfect macrophages and B16F10 cells in vitro resulting in 75% knockdown of inhibitory

checkpoint (PDL1) expression and simultaneously express high levels of stimulatory checkpoint (OX40L) with minimal

toxicity. Intratumoral treatment with the proposed formulation resulted in statistically reduced tumor growth, a greater

density of CD4+ and CD8+ infiltrates in the tumor, and immune activation within tumor-draining lymph nodes. These data

suggest that a single RNA-based formulation can successfully reprogram multiple immune checkpoint interactions on a

cellular level. Such a candidate may be able to replace future immune checkpoint therapeutic regimes composed of both

stimulatory- and inhibitory-receptor-targeting antibodies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000747115200039 Publication Date (up) 2021-11-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.942 Times cited 11 Open Access OpenAccess
Notes A.A.W. is the grateful recipient of a Maplethorpe Fellowship. K.A.J. acknowledges funding from the British Council (Newton Fund, 337313), Wellcome Trust (WT103913), and the Cancer Research UK King’s Health Partners Centre at King’s College London. Financial support is acknowledged from the European Commission under the Horizon 2020 Programme, by means of Grant Agreement No. 731019 (EUSMI). Images were drawn on BioRender.com. Approved Most recent IF: 13.942
Call Number EMAT @ emat @c:irua:183950 Serial 6829
Permanent link to this record
 

 
Author Van Echelpoel, R.; Kranenburg, R.; van Asten, A.; De Wael, K.
Title Electrochemical detection of MDMA and 2C-B in ecstasy tablets using a selectivity enhancement strategy by in-situ derivatization Type A1 Journal article
Year 2022 Publication Forensic chemistry Abbreviated Journal
Volume 27 Issue Pages 100383
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Forensic drug laboratories are confronted with increasing amounts of drugs and a demand for faster results that are directly available on-site. In addition, the drug market is getting more complex with hundreds of new psychoactive substances (NPS) entering the market in recent years. Rapid and on-scene presumptive drug testing therefore faces a shift from manual colorimetric tests towards approaches that can detect a wider range of components and process results automatically. Electrochemical detection offers these desired characteristics, making it a suitable candidate for on-site drug detection. In this study, a two-step electrochemical sensor is introduced for the detection of MDMA and 2C-B. Firstly, a direct electrochemical analysis was performed to detect MDMA. Validation experiments on over 70 substances revealed that 2C-B was the only frequently encountered drug that gave a false positive result for MDMA in this first analysis. A second step using in-situ derivatization was subsequently introduced. To this end, formaldehyde was used for N-methylation of 2C-B thereby enhancing its electrochemical profile. The enriched electrochemical fingerprint in the second step allowed for clear differentiation between MDMA and 2C-B. The applicability of this approach was demonstrated with 71 ecstasy tablets seized by the Amsterdam Police. The MDMA/2C-B sensor correctly identified all 39 MDMA-containing tablets and 10 out of 11 tablets containing 2C-B. Most notably, correct results were also obtained for dark colored tablets in which both spectroscopic analysis and colorimetric tests failed due to obscured signals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000725708200002 Publication Date (up) 2021-11-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2468-1709 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7
Call Number UA @ admin @ c:irua:183340 Serial 7149
Permanent link to this record
 

 
Author Shi, R.; Choudhuri, D.; Kashiwar, A.; Dasari, S.; Wang, Y.; Banerjee, R.; Banerjee, D.
Title α phase growth and branching in titanium alloys Type A1 Journal article
Year 2021 Publication Philosophical magazine Abbreviated Journal Philos Mag
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The morphology and spatial distribution of alpha (α) precipitates have been mapped as a function of Mo content in Ti-Mo binary alloys employing a combinatorial approach. Heat-treatments were carried out on compositionally graded Ti-xMo samples processed using a rapid throughput laser engineered net shape (LENS) process. The composition space spans 1.5 at% to 6 at% Mo with ageing at 750°C, 650°C and 600°C following a β solution treatment. Three distinct regimes of α morphology and distribution were observed. These are colony-dominated microstructures originating from grain boundary α allotriomorphs, bundles of intragranular α laths, and homogeneously distributed individual fine-scale α laths. Branching of the α precipitates was observed in all these domains in a manner reminiscent of solid-state dendritic growth. The phenomenon is particularly apparent at low volume fractions of α. Similar features are present in a wide variety of alloy compositions. 3-dimensional features of such branched structures have been analysed. Simulation of the branching process by phase field methods incorporating anisotropy in the α/β interface energy and elasticity suggests that it can be initiated at growth ledges present at broad faces of the α laths, driven by the enhancement of the diffusion flux at these steps. The dependence of branching on various parameters such as supersaturation and diffusivity, and microstructural features like ledge height and distribution and the presence of adjacent α variants has been evaluated.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000722082700001 Publication Date (up) 2021-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1478-6435 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.505 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 1.505
Call Number UA @ admin @ c:irua:183616 Serial 6849
Permanent link to this record
 

 
Author Baij, L.; Liu, C.; Buijs, J.; Alvarez Martin, A.; Westert, D.; Raven, L.; Geels, N.; Noble, P.; Sprakel, J.; Keune, K.
Title Understanding and optimizing Evolon® CR for varnish removal from oil paintings Type A1 Journal article
Year 2021 Publication Heritage science Abbreviated Journal
Volume 9 Issue 1 Pages 155-17
Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (up) 2021-11-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7445 ISBN Additional Links UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:183747 Serial 8707
Permanent link to this record
 

 
Author Bruggeman, P.J.; Bogaerts, A.; Pouvesle, J.M.; Robert, E.; Szili, E.J.
Title Plasma–liquid interactions Type A1 Journal Article
Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
Volume 130 Issue 20 Pages 200401
Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date (up) 2021-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979 ISBN Additional Links UA library record
Impact Factor 2.068 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.068
Call Number PLASMANT @ plasmant @c:irua:184245 Serial 6830
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Author Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E.
Title Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers Type A1 Journal article
Year 2022 Publication Green chemistry : cutting-edge research for a greener sustainable future Abbreviated Journal Green Chem
Volume 24 Issue 2 Pages 754-766
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC. Here, we report on the upcycling of such waste-extracted phthalate esters into analogues of the much safer diisononyl 1,2-cyclohexanedicarboxylate plasticizer (DINCH), via a catalytic one-pot (trans)esterification-hydrogenation process. For most of the virgin phthalates, Ru/Al2O3 is a highly effective hydrogenation catalyst, yielding >99% ring-hydrogenated products under mild reaction conditions (0.1 mol% Ru, 80 degrees C, 50 bar H-2). However, applying this reaction to PVC-extracted phthalates proved problematic, (1) as benzyl phthalates are hydrogenolyzed to benzoic acids that inhibit the Ru-catalyst, and (2) because impurities in the plasticizer extract (PVC, sulfur) further retard the hydrogenation. These complications were solved by coupling the hydrogenation to an in situ (trans)esterification with a higher alcohol, and by pretreating the extract with an activated carbon adsorbent. In this way, a real phthalate extract obtained from post-consumer PVC waste was eventually completely (>99%) hydrogenated to phthalate-free, cycloaliphatic plasticizers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000726865200001 Publication Date (up) 2021-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9262; 1463-9270 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.8 Times cited 8 Open Access Not_Open_Access
Notes This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement no. 821366 (programma acronym: Circular Flooring). D. E. D. V. thanks FWO for project funding (SBO project S001819N Triple Cycle); N. J. and S. B. acknowledge the financial support from FWO and FNRS (EOS 30489208). Finally, the authors also thank S. Smolders for assistance with the TGA-MS experiments and D. Paredaens for his experimental contribution Approved Most recent IF: 9.8
Call Number UA @ admin @ c:irua:184746 Serial 6958
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