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Author Peng, L.; Xie, Y.; Van Beeck, W.; Zhu, W.; Van Tendeloo, M.; Tytgat, T.; Lebeer, S.; Vlaeminck, S.E.
Title Return-sludge treatment with endogenous free nitrous acid limits nitrate production and N₂O emission for mainstream partial nitritation/anammox Type A1 Journal article
Year 2020 Publication Environmental Science & Technology Abbreviated Journal Environ Sci Technol
Volume 54 Issue 9 Pages 5822-5831
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Nitrite oxidizing bacteria (NOB) and nitrous oxide (N2O) hinder the development of mainstream partial nitritation/anammox. To overcome these, endogenous free ammonia (FA) and free nitrous acid (FNA), which can be produced in the sidestream, were used for return-sludge treatment for two integrated-film activated sludge reactors containing biomass in flocs and on carriers. The repeated exposure of biomass from one reactor to FA shocks had a limited impact on NOB suppression but inhibited anammox bacteria (AnAOB). In the other reactor, repeated FNA shocks to the separated flocs failed to limit the system’s nitrate production since NOB activity was still high on the biofilms attached to the unexposed carriers. In contrast, the repeated FNA treatment of flocs and carriers favored aerobic ammonium-oxidizing bacteria (AerAOB) over NOB activity with AnAOB negligibly affected. It was further revealed that return-sludge treatment with higher FNA levels led to lower N2O emissions under similar effluent nitrite concentrations. On this basis, weekly 4 h FNA shocks of 2.0 mg of HNO2-N/L were identified as an optimal and realistic treatment, which not only enabled nitrogen removal efficiencies of ∼65% at nitrogen removal rates of ∼130 mg of N/L/d (20 °C) but also yielded the lowest cost and carbon footprint.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000530651900057 Publication Date 2020-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-936x; 1520-5851 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 11.4 Times cited 1 Open Access
Notes ; This study was supported by the European Commission Horizon 2020 Program through Marie Curie Individual Fellowship (N2OPNA-708592). W. V.B. and S. L. were supported by grants from the Flanders Innovation and Entrepreneurship Agency [IWT-SBO ProCure project (IWT/50052) by IWT-SBO ProCure and internal Uantwerpen funding]. The authors are grateful to the research collaboration. The authors declare no conflict of interest. ; Approved Most recent IF: 11.4; 2020 IF: 6.198
Call Number UA @ admin @ c:irua:168829 Serial 6596
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Author Kovács, A.; Billen, P.; Cornet, I.; Wijnants, M.; Neyts, E.C.
Title Modeling the physicochemical properties of natural deep eutectic solvents : a review Type A1 Journal article
Year 2020 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 13 Issue 15 Pages 3789-3804
Keywords A1 Journal article; Engineering sciences. Technology; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract Natural deep eutectic solvents (NADES) are mixtures of naturally derived compounds with a significantly decreased melting point due to the specific interactions among the constituents. NADES have benign properties (low volatility, flammability, toxicity, cost) and tailorable physicochemical properties (by altering the type and molar ratio of constituents), hence they are often considered as a green alternative to common organic solvents. Modeling the relation between their composition and properties is crucial though, both for understanding and predicting their behavior. Several efforts were done to this end, yet this review aims at structuring the present knowledge as an outline for future research. First, we reviewed the key properties of NADES and relate them to their structure based on the available experimental data. Second, we reviewed available modeling methods applicable to NADES. At the molecular level, density functional theory and molecular dynamics allow interpreting density differences and vibrational spectra, and computation of interaction energies. Additionally, properties at the level of the bulk media can be explained and predicted by semi-empirical methods based on ab initio methods (COSMO-RS) and equation of state models (PC-SAFT). Finally, methods based on large datasets are discussed; models based on group contribution methods and machine learning. A combination of bulk media and dataset modeling allows qualitative prediction and interpretation of phase equilibria properties on the one hand, and quantitative prediction of melting point, density, viscosity, surface tension and refractive indices on the other hand. In our view, multiscale modeling, combining the molecular and macroscale methods, will strongly enhance the predictability of NADES properties and their interaction with solutes, yielding truly tailorable solvents to accommodate (bio)chemical reactions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000541499100001 Publication Date 2020-05-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access
Notes Approved Most recent IF: 8.4; 2020 IF: 7.226
Call Number UA @ admin @ c:irua:168851 Serial 6770
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Author Dubinina, T.V.; Moiseeva, E.O.; Astvatsaturov, D.A.; Borisova, N.E.; Tarakanov, P.A.; Trashin, S.A.; De Wael, K.; Tomilova, L.G.
Title Novel 2-naphthyl substituted zinc naphthalocyanine : synthesis, optical, electrochemical and spectroelectrochemical properties Type A1 Journal article
Year 2020 Publication New Journal Of Chemistry Abbreviated Journal New J Chem
Volume 44 Issue 19 Pages 7849-7857
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract New zinc naphthalocyanine with bulky 2-naphthyl groups was obtained. Aggregation drastically influences its optical and electrochemical behavior. Spectroelectrochemistry helps to establish the oxidation potential and reveals unusual color change.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000536157700023 Publication Date 2020-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1144-0546 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access
Notes ; Synthesis, identification and optical studies of target compounds were supported by the Russian Science Foundation Grant No 19-73-00099. Electrochemical and spectroelectrochemical measurements were supported by ERA.Net RUS Plus Plasmon Electrolight and FWO funding (RFBR No 18-53-76006 ERA). Fluorescence studies were supported by the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grant MD-3847.2019.3). The NMR spectroscopic measurements were carried out in the Laboratory of Magnetic Tomography and Spectroscopy, Faculty of Fundamental Medicine of Moscow State University. ; Approved Most recent IF: 3.3; 2020 IF: 3.269
Call Number UA @ admin @ c:irua:168952 Serial 6570
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Author Morales-Yánez, F.; Trashin, S.; Sariego, I.; Roucher, C.; Paredis, L.; Chico, M.; De Wael, K.; Muyldermans, S.; Cooper, P.; Polman, K.
Title Electrochemical detection of Toxocara canis excretory-secretory antigens in children from rural communities in Esmeraldas Province, Ecuador : association between active infection and high eosinophilia Type A1 Journal article
Year 2020 Publication Parasites & Vectors Abbreviated Journal Parasite Vector
Volume 13 Issue 1 Pages 245-247
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Background The diagnosis of active Toxocara canis infections in humans is challenging. Larval stages of T. canis do not replicate in human tissues and disease may result from infection with a single T. canis larva. Recently, we developed a nanobody-based electrochemical magnetosensor assay with superior sensitivity to detect T. canis excretory-secretory (TES) antigens. Here, we evaluate the performance of the assay in children from an Ecuadorian birth cohort that followed children to five years of age. Methods Samples were selected based on the presence of peripheral blood eosinophilia and relative eosinophil counts. The samples were analyzed by the nanobody-based electrochemical magnetosensor assay, which utilizes a bivalent biotinylated nanobody as capturing agent on the surface of streptavidin pre-coated paramagnetic beads. Detection was performed by a different nanobody chemically labelled with horseradish peroxidase. Results Of 87 samples tested, 33 (38%) scored positive for TES antigen recognition by the electrochemical magnetosensor assay. The average concentration of TES antigen in serum was 2.1 ng/ml (SD = 1.1). The positive result in the electrochemical assay was associated with eosinophilia > 19% (P = 0.001). Parasitological data were available for 57 samples. There was no significant association between positivity by the electrochemical assay and the presence of other soil-transmitted helminth infections. Conclusions Our nanobody-based electrochemical assay provides highly sensitive quantification of TES antigens in serum and has potential as a valuable tool for the diagnosis of active human toxocariasis.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000535618800003 Publication Date 2020-05-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1756-3305 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.2 Times cited Open Access
Notes ; This project was funded by the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO-Flanders), project No. G.0189.13N. The ECUAVIDA cohort was funded by the Wellcome Trust (grant 072405/Z/03/Z and 088862/Z/09/Z). ; Approved Most recent IF: 3.2; 2020 IF: 3.08
Call Number UA @ admin @ c:irua:168966 Serial 6501
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Author Conti, S.
Title Multi-band superfluidity and BEC-BCS crossover in novel ultrathin materials Type Doctoral thesis
Year 2020 Publication Abbreviated Journal
Volume Issue Pages 123 p.
Keywords Doctoral thesis; Sociology; History; Condensed Matter Theory (CMT)
Abstract
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Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
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ISSN ISBN Additional Links (up) UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169036 Serial 6565
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Author Idrissi, H.; Samaee, V.; Lumbeeck, G.; van der Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P.
Title Supporting data for “In situ Quantitative Tensile Tests on Antigorite in a Transmission Electron Microscope” Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract The determination of the mechanical properties of serpentinites is essential towards the understanding of the mechanics of faulting and subduction. Here, we present the first in situ tensile tests on antigorite in a transmission electron microscope. A push-to-pull deformation device is used to perform quantitative tensile tests, during which force and displacement are measured, while the microstructure is imaged with the microscope. The experiments have been performed at room temperature on beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that some grains were well-oriented for plastic slip. However, no dislocation activity has been observed even though engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit an pure elastic-brittle behaviour since, despite the presence of defects, the specimens underwent plastic deformation and did not fail within the elastic regime. Instead, we observe that strain localizes at grain boundaries. All observations concur to show that under our experimental conditions, grain boundary sliding is the dominant deformation mechanism. This study sheds a new light on the mechanical properties of antigorite and calls for further studies on the structure and properties of grain boundaries in antigorite and more generally in phyllosilicates.
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Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
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Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169107 Serial 6891
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Author Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J.
Title Spectrocopic coincidence experiment in transmission electron microscopy Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract This dataset contains individual EEL and EDX events where for every event (electron or X-ray), their energy and time of arrival is stored. The experiment was performed in a transmission electron microscope (Tecnai Osiris) at 200 keV. The material investigated is an Al-Mg-Si-Cu alloy. The 'full_dataset.mat' contains the full dataset and the 'subset.mat' has the first five frames of the full dataset. The attached 'EELS-EDX.ipynb' is a jupyter notebook file. This file describes the data processing in order to observe the temporal correlation between the electrons and X-rays.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
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Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169112 Serial 6888
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Author Guzzinati, G.; Ghielens, W.; Mahr, C.; Béché, A.; Rosenauer, A.; Calders, T.; Verbeeck, J.
Title Electron Bessel beam diffraction patterns, line scan of Si/SiGe multilayer Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; ADReM Data Lab (ADReM); Electron microscopy for materials research (EMAT)
Abstract
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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 (up) UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169114 Serial 6865
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Author Cautaerts, N.; Lamm, S.; Stergar, E.; Pakarinen, J.; Yang, Y.; Hofer, C.; Schnitzer, R.; Felfer, P.; Verwerft, M.; Delville, R.; Schryvers, D.
Title Atom probe tomography data collection from DIN 1.4970 (15-15Ti) austenitic stainless steel irradiated with Fe ions Type Dataset
Year 2020 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract This dataset comprises a large collection of atom probe tomography datasets collected from DIN 1.4970 alloy that was irradiated with Fe ions at different conditions. The DIN 1.4970 alloy is an austenitic stainless steel with 15 wt% Cr, 15 wt% Ni, a small addition of Ti. The full composition and characterization of our material can be found published elsewhere [1,2]. Some of our material was subjected to ageing heat treatments at different temperatures for different times. Small samples of our original material and aged material was irradiated at the Michigan Ion Beam Laboratory in 2017 with 4.5 MeV Fe ions up to 40 dpa at an average dose rate of 2×10−4 dpa/s. This was done at three different temperatures: 300, 450, and 600 ºC. Atom probe samples were made of the irradiated layers (approximately 1.5 micron deep) with focused ion beam and mounted on Microtip coupons. APT measurements took place on three CAMECA LEAP-HR systems located at CAES in Idaho Falls, USA (files beginning with R33), at Montanuniversität Leoben in Leoben, Austria (R21) and at Friedrich–Alexander University in Erlangen, Germany (R56).
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Corporate Author Thesis
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 (up) UA library record
Impact Factor Times cited Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169127 Serial 6454
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Author Guzzinati, G.; Béché, A.; McGrouther, D.; Verbeeck, J.
Title Rotation of electron beams in the presence of localised, longitudinal magnetic fields Type Dataset
Year 2019 Publication Abbreviated Journal
Volume Issue Pages
Keywords Dataset; Electron microscopy for materials research (EMAT)
Abstract Electron Bessel beams have been generated by inserting an annular aperture in the illumination system of a TEM. These beams have passed through a localised magnetic field. As a result a low amount of image rotation (which is expected to be proportional to the longitudinal component of the magnetic field) is observed in the far field. A measure of this rotation should give access to the magneti field. The two datasets have been acquired in a FEI Titan3 microscope, operated at 300kV. The file focalseries.tif contains a series of images acquired varying the magnetic field through the objective lens. The file lineprofile.ser contains a series of images acquired by scanning the beam over a sample with several magnetised nanopillars. For reference, check the associated publication.
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Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
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ISSN ISBN Additional Links (up) UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169135 Serial 6883
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Author Mescia, L.; Lamacchia, C.M.; Chiapperino, M.A.; Bia, P.; Gielis, J.; Caratelli, D.
Title Design of irregularly shaped lens antennas including supershaped feed Type P1 Proceeding
Year 2019 Publication Progress in Electromagnetic Research Symposium (PIERS) T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June, 2019, Rome, Italy Abbreviated Journal
Volume Issue Pages 169-173
Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A new class of irregularly shaped dielectric lens antennas with a supershaped microstrip antenna feeder is presented and detailed in this work. The surface of the lens antenna and the feeder shape have been modelled by using the three and two-dimensional Gielis formula, respectively. The antenna design has been carried out by integrating an home-made software tool with the CST Microwave Studio®. The radiation properties of the whole antenna system have been evaluated using a dedicated high-frequency technique based on the tube tracing approximation. Moreover, the effects due to the multiple internal reflections have been properly modeled. The proposed model was applied to study unusual and complex lens antenna systems with the aim to design special radiation characteristics.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000550769300021 Publication Date 2020-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-72813-403-1; 978-1-72813-404-8; 978-1-72813-403-1 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169169 Serial 7766
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Author Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D.
Title Multiphysics modelling of membrane electroporation in irregularly shaped cells Type P1 Proceeding
Year 2019 Publication Progress in Electromagnetic Research Symposium (PIERS) T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June 2019, Rome, Italy Abbreviated Journal
Volume Issue Pages 2992-2998
Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Electroporation is a non-thermal electromagnetic phenomenon widely used in medical diseases treatment. Different mathematical models of electroporation have been proposed in literature to study pore evolution in biological membranes. This paper presents a nonlinear dispersive multiphysic model of electroporation in irregular shaped biological cells in which the spatial and temporal evolution of the pores size is taken into account. The model solves Maxwell and asymptotic Smoluchowski equations and it describes the dielectric dispersion of cell media using a Debye-based relationship. Furthermore, the irregular cell shape has been modeled using the Gielis superformula. Taking into account the cell in mitosis phase, the electroporation process has been studied comparing the numerical results pertaining the model with variable pore radius with those in which the pore radius is supposed constant. The numerical analysis has been performed exposing the biological cell to a rectangular electric pulse having duration of 10 μs. The obtained numerical results highlight considerable differences between the two different models underling the need to include into the numerical algorithm the differential equation modeling the spatial and time evolution of the pores size.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000550769302159 Publication Date 2020-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-72813-404-8; 978-1-72813-403-1 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169170 Serial 8288
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Author Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D.
Title Relevance of the cell membrane modelling for accurate analysis of the pulsed electric field-induced electroporation Type P1 Proceeding
Year 2019 Publication Progress in Electromagnetic Research Symposium (PIERS) T2 – 2019 PhotonIcs & Electromagnetics Research Symposium – Spring (PIERS-Spring), 17-20 June 2019, Rome, Italy Abbreviated Journal
Volume Issue Pages 2985-2991
Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract In this work, a nonlinear dispersive multiphysic model based on Maxwell and asymptotic Smoluchowsky equations has been developed to analyze the electroporation phenomenon induced by pulsed electric field on biological cells. The irregular plasma membrane geometry has been modeled by incorporating in the numerical algorithm the Gielis superformula as well as the dielectric dispersion of the plasma membrane has been modeled using the multi-relaxation Debye-based relationship. The study has been carried out with the aim to compare our model implementing a thin plasma membrane with the simplified model in which the plasma membrane is modeled as a distributed impedance boundary condition. The numerical analysis has been performed exposing the cell to external electric pulses having rectangular shapes. By an inspection of the obtained results, significant differences can be highlighted between the two models confirming the need to incorporate the effective thin membrane into the numerical algorithm to well predict the cell response to the pulsed electric fields in terms of transmembrane voltages and pore densities, especially when the cell is exposed to external nanosecond pulses.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000550769302158 Publication Date 2020-03-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-72813-404-8; 978-1-72813-403-1 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:169171 Serial 8469
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Author Zhang, H.; Zhang, H.; Trenchev, G.; Li, X.; Wu, Y.; Bogaerts, A.
Title Multi-dimensional modelling of a magnetically stabilized gliding arc plasma in argon and CO2 Type A1 Journal article
Year 2020 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T
Volume 29 Issue 4 Pages 045019
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This study focuses on a magnetically stabilized gliding arc (MGA) plasma. Two fully coupled flow-plasma models (in 3D and 2D) are presented. The 3D model is applied to compare the arc dynamics of the MGA with a traditional gas-driven gliding arc. The 2D model is used for a detailed parametric study on the effect of the external magnetic field. The results show that the relative velocity between the plasma and feed gas is generated due to the Lorentz force, which can increase the plasma-treated gas fraction. The magnetic field also helps to decrease the gas temperature by enhancing heat transfer and to increase the electron number density. This work shows the potential of an external magnetic field to control the gliding arc behavior, for enhanced gas conversion at low gas flow rates.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000570241800001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.8 Times cited Open Access
Notes Fonds Wetenschappelijk Onderzoek, G.0383.16N ; National Natural Science Foundation of China, 51706204 51707144 ; State Key Laboratory of Electrical Insulation and Power Equipment, EIPE19302 ; The authors acknowledge financial support from the Fund for Scientific Research—Flanders (FWO; Grant G.0383.16 N), National Natural Science Foundation of China under Grant Nos. 51706204, 51707144, and State Key Laboratory of Electrical Insulation and Power Equipment (EIPE19302). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and Universiteit Antwerpen. Finally, Hantian Zhang acknowledges financial support from the China Scholarship Council. Approved Most recent IF: 3.8; 2020 IF: 3.302
Call Number PLASMANT @ plasmant @c:irua:169218 Serial 6360
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Author Uytdenhouwen, Y.; Meynen, V.; Cool, P.; Bogaerts, A.
Title The Potential Use of Core-Shell Structured Spheres in a Packed-Bed DBD Plasma Reactor for CO2 Conversion Type A1 Journal article
Year 2020 Publication Catalysts Abbreviated Journal Catalysts
Volume 10 Issue 5 Pages 530
Keywords A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This work proposes to use core-shell structured spheres to evaluate whether it allows to individually optimize bulk and surface effects of a packing material, in order to optimize conversion and energy efficiency. Different core-shell materials have been prepared by spray coating, using dense spheres (as core) and powders (as shell) of SiO2, Al2O3, and BaTiO3. The materials are investigated for their performance in CO2 dissociation and compared against a benchmark consisting of a packed-bed reactor with the pure dense spheres, as well as an empty reactor. The results in terms of CO2 conversion and energy efficiency show various interactions between the core and shell material, depending on their combination. Al2O3 was found as the best core material under the applied conditions here, followed by BaTiO3 and SiO2, in agreement with their behaviour for the pure spheres. Applying a thin shell layer on the cores showed equal performance between the different shell materials. Increasing the layer thickness shifts this behaviour, and strong combination effects were observed depending on the specific material. Therefore, this method of core-shell spheres has the potential to allow tuning of the packing properties more closely to the application by designing an optimal combination of core and shell.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000546007000092 Publication Date 2020-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2073-4344 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.9 Times cited Open Access
Notes Interreg, Project EnOp ; Fonds Wetenschappelijk Onderzoek, G.0254.14N ; Universiteit Antwerpen, Project SynCO2Chem ; We want to thank Jasper Lefevre (VITO) for assistance in the development of the coating suspension for the core-shell spheres. Approved Most recent IF: 3.9; 2020 IF: 3.082
Call Number PLASMANT @ plasmant @c:irua:169222 Serial 6364
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Author Borah, R.; Verbruggen, S.W.
Title Silver–Gold Bimetallic Alloy versus Core–Shell Nanoparticles: Implications for Plasmonic Enhancement and Photothermal Applications Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume Issue Pages acs.jpcc.0c02630
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Bimetallic plasmonic nanoparticles enable tuning of the optical response and chemical stability by variation of the composition. The present numerical simulation study compares Ag–Au alloy, Ag@Au core–shell, and Au@Ag core–shell bimetallic plasmonic nanoparticles of both spherical and anisotropic (nanotriangle and nanorods) shapes. By studying both spherical and anisotropic (with LSPR in the near-infrared region) shapes, cases with and without interband transitions of Au can be decoupled. Explicit comparisons are facilitated by numerical models supported by careful validation and examination of optical constants of Au–Ag alloys reported in the literature. Although both Au–Ag core–shell and alloy nanoparticles exhibit an intermediary optical response between that of pure Ag and Au nanoparticles, there are noticeable differences in the spectral characteristics. Also, the effect of the bimetallic constitution in anisotropic nanoparticles is starkly different from that in spherical nanoparticles due to the absence of Au interband transitions in the former case. In general, the improved chemical stability of Ag nanoparticles by incorporation of Au comes with a cost of reduction in plasmonic enhancement, also applicable to anisotropic nanoparticles with a weaker effect. A photothermal heat transfer study confirms that increased absorption by the incorporation of Au in spherical Ag nanoparticles also results in an increased steady-state temperature. On the other hand, anisotropic nanoparticles are inherently better absorbers and hence better photothermal sources, and their photothermal properties are apparently not strongly affected by the incorporation of one metal in the other. This study of the optical/spectral and photothermal characteristics of bimetallic Au–Ag alloy versus core–shell nanoparticles provides detailed physical insight for development of new taylor-made plasmonic nanostructures.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000538758700039 Publication Date 2020-05-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes Universiteit Antwerpen, DOCPRO4 Rituraj Borah ; Approved Most recent IF: 3.7; 2020 IF: 4.536
Call Number DuEL @ duel @c:irua:169223 Serial 6367
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Author Borah, R.; Verbruggen, S.W.
Title Silver–Gold Bimetallic Alloy versus Core–Shell Nanoparticles: Implications for Plasmonic Enhancement and Photothermal Applications Type A1 Journal article
Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
Volume Issue Pages acs.jpcc.0c02630
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Bimetallic plasmonic nanoparticles enable tuning of the optical response and chemical stability by variation of the composition. The present numerical simulation study compares Ag–Au alloy, Ag@Au core–shell, and Au@Ag core–shell bimetallic plasmonic nanoparticles of both spherical and anisotropic (nanotriangle and nanorods) shapes. By studying both spherical and anisotropic (with LSPR in the near-infrared region) shapes, cases with and without interband transitions of Au can be decoupled. Explicit comparisons are facilitated by numerical models supported by careful validation and examination of optical constants of Au–Ag alloys reported in the literature. Although both Au–Ag core–shell and alloy nanoparticles exhibit an intermediary optical response between that of pure Ag and Au nanoparticles, there are noticeable differences in the spectral characteristics. Also, the effect of the bimetallic constitution in anisotropic nanoparticles is starkly different from that in spherical nanoparticles due to the absence of Au interband transitions in the former case. In general, the improved chemical stability of Ag nanoparticles by incorporation of Au comes with a cost of reduction in plasmonic enhancement, also applicable to anisotropic nanoparticles with a weaker effect. A photothermal heat transfer study confirms that increased absorption by the incorporation of Au in spherical Ag nanoparticles also results in an increased steady-state temperature. On the other hand, anisotropic nanoparticles are inherently better absorbers and hence better photothermal sources, and their photothermal properties are apparently not strongly affected by the incorporation of one metal in the other. This study of the optical/spectral and photothermal characteristics of bimetallic Au–Ag alloy versus core–shell nanoparticles provides detailed physical insight for development of new taylor-made plasmonic nanostructures.
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Publisher Place of Publication Editor
Language Wos 000538758700039 Publication Date 2020-05-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes Universiteit Antwerpen, DOCPRO4 Rituraj Borah ; Approved Most recent IF: 3.7; 2020 IF: 4.536
Call Number DuEL @ duel @c:irua:169223 Serial 6368
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Author Velazco, A.; Nord, M.; Béché, A.; Verbeeck, J.
Title Evaluation of different rectangular scan strategies for STEM imaging Type A1 Journal article
Year 2020 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume Issue Pages 113021
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract STEM imaging is typically performed by raster scanning a focused electron probe over a sample. Here we investigate and compare three different scan patterns, making use of a programmable scan engine that allows to arbitrarily set the sequence of probe positions that are consecutively visited on the sample. We compare the typical raster scan with a so-called ‘snake’ pattern where the scan direction is reversed after each row and a novel Hilbert scan pattern that changes scan direction rapidly and provides an homogeneous treatment of both scan directions. We experimentally evaluate the imaging performance on a single crystal test sample by varying dwell time and evaluating behaviour with respect to sample drift. We demonstrate the ability of the Hilbert scan pattern to more faithfully represent the high frequency content of the image in the presence of sample drift. It is also shown that Hilbert scanning provides reduced bias when measuring lattice parameters from the obtained scanned images while maintaining similar precision in both scan directions which is especially important when e.g. performing strain analysis. Compared to raster scanning with flyback correction, both snake and Hilbert scanning benefit from dose reduction as only small probe movement steps occur.
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Language Wos 000544042800007 Publication Date 2020-05-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 2.2 Times cited 13 Open Access OpenAccess
Notes A.V., A.B. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. M.N. received support for this work from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 838001. J.V acknowledges funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. Approved Most recent IF: 2.2; 2020 IF: 2.843
Call Number EMAT @ emat @c:irua:169225 Serial 6369
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Author Engelmann, Y.; Mehta, P.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A.
Title Predicted Influence of Plasma Activation on Nonoxidative Coupling of Methane on Transition Metal Catalysts Type A1 Journal article
Year 2020 Publication Acs Sustainable Chemistry & Engineering Abbreviated Journal Acs Sustain Chem Eng
Volume 8 Issue 15 Pages 6043-6054
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
Abstract The combination of catalysis and nonthermal plasma holds promise for enabling difficult chemical conversions. The possible synergy between both depends strongly on the nature of the reactive plasma species and the catalyst material. In this paper, we show how vibrationally excited species and plasma-generated radicals interact with transition metal catalysts and how changing the catalyst material can improve the conversion rates and product selectivity. We developed a microkinetic model to investigate the impact of vibrational excitations and plasma-generated radicals on the nonoxidative coupling of methane over transition metal surfaces. We predict a significant increase in ethylene formation for vibrationally excited methane. Plasma-generated radicals have a stronger impact on the turnover frequencies with high selectivity toward ethylene on noble catalysts and mixed selectivity on non-noble catalysts. In general, we show how the optimal catalyst material depends on the desired products as well as the plasma conditions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000526884000025 Publication Date 2020-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-0485 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access
Notes Herculesstichting; University of Notre Dame; Universiteit Antwerpen; Division of Engineering Education and Centers, EEC-1647722 ; We would like to thank Tom Butterworth for his work on methane vibrational distribution functions (VDF) and for sharing his thoughts and experiences on this matter, specifically regarding the VDF of the degenerate modes of methane. We ACS Sustainable Chemistry & Engineering pubs.acs.org/journal/ascecg Research Article https://dx.doi.org/10.1021/acssuschemeng.0c00906 ACS Sustainable Chem. Eng. 2020, 8, 6043−6054 6052 also acknowledge financial support from the DOC-PRO3 and the TOP-BOF projects of the University of Antwerp. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. Support for W.F.S. was provided by the National Science Foundation under cooperative agreement no. EEC-1647722, an Engineering Research Center for the Innovative and Strategic Transformation of Alkane Resources (CISTAR). P.M. acknowledges support through the Eilers Graduate Fellowship of the University of Notre Dame. Approved Most recent IF: 8.4; 2020 IF: 5.951
Call Number PLASMANT @ plasmant @c:irua:169228 Serial 6366
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Author Marimuthu, P.; Razzokov, J.; Eshonqulov, G.
Title Disruption of conserved polar interactions causes a sequential release of Bim mutants from the canonical binding groove of Mcl1 Type A1 Journal article
Year 2020 Publication International Journal Of Biological Macromolecules Abbreviated Journal Int J Biol Macromol
Volume 158 Issue Pages 364-374
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Mcl1 is an important anti-apoptotic member of the Bcl2 family proteins that are upregulated in several cancer malignancies. The canonical binding groove (CBG) located at the surface of Mcl1 exhibits a critical role in binding partners selectively via the BH3-domain of pro-apoptotic Bcl2 family members that trigger the downregulation of Mcl1 function. There are several crystal structures of point-mutated pro-apoptotic Bim peptides in complex with Mcl1. However, the mechanistic effects of such point-mutations towards peptide binding and complex stability still remain unexplored. Here, the effects of the reported point mutations in Bim peptides and their binding mechanisms to Mcl1 were computationally evaluated using atomistic-level steered molecular dynamics (SMD) simulations. A range of external-forces and constant-velocities were applied to the Bim peptides to uncover the mechanistic basis of peptide dissociation from the CBG of Mcl1. Although the peptides showed similarities in their dissociation pathways, the peak rupture forces varied significantly. According to simulations results, the disruption of the conserved polar contacts at the complex interface causes a sequential release of the peptides from the CBG of Mcl1. Overall, the results obtained from the current study may provide valuable insights for the development of novel anti-cancer peptide-inhibitors that can downregulate Mcl1’s function.
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Publisher Place of Publication Editor
Language Wos 000564486400010 Publication Date 2020-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-8130 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 8.2 Times cited Open Access
Notes P.M. gratefully acknowledges the Sigrid Jusélius Foundation, Joe, Pentti and Tor Borg Memorial Fund for computational and laboratory infrastructure, the Bioinformatics infrastructure facility supported by Biocenter Finland, CSC-IT Center for Science (Project: 2000461) for the high performance computational facility; Prof. Outi Salo-Ahen, SBL, Pharmacy, Åbo Akademi University and Prof. Olli Pentikäinen, MedChem, University of Turku for valuable discussion; Dr. Jukka Lehtonen for the IT support; and specially thanks Prof. Mark Johnson, SBL, Åbo Akademi University, for providing the lab facility. Approved Most recent IF: 8.2; 2020 IF: 3.671
Call Number PLASMANT @ plasmant @c:irua:169231 Serial 6365
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Author Reclusa, P.; Verstraelen, P.; Taverna, S.; Gunasekaran, M.; Pucci, M.; Pintelon, I.; Claes, N.; de Miguel-Pérez, D.; Alessandro, R.; Bals, S.; Kaushal, S.; Rolfo, C.
Title Improving extracellular vesicles visualization: From static to motion Type A1 Journal article
Year 2020 Publication Scientific Reports Abbreviated Journal Sci Rep-Uk
Volume 10 Issue 10 Pages 6494
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In the last decade extracellular vesicles (EVs) have become a hot topic. The findings on EVs content and effects have made them a major field of interest in cancer research. EVs, are able to be internalized through integrins expressed in parental cells, in a tissue specific manner, as a key step of cancer progression and pre-metastatic niche formation. However, this specificity might lead to new opportunities in cancer treatment by using EVs as devices for drug delivery. For future applications of EVs in cancer, improved protocols and methods for EVs isolation and visualization are required. Our group has put efforts on developing a protocol, able to track the EVs for in vivo internalization analysis. We showed, for the first time, the videos of labeled EVs uptake by living lung cancer cells.
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Publisher Place of Publication Editor
Language Wos 000562145000002 Publication Date 2020-04-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited 25 Open Access OpenAccess
Notes Marzia Pucci is supported by a “AIRC” (Associazione Italiana Ricerca sul Cancro) fellowship. “The Leica SP 8 (Hercules grant AUHA.15.12) microscope was funded by the Hercules Foundation of the Flemish Government.” DdM-P is funded by the University of Granada PhD grant and University of Granada international mobility grant 2018/19. Approved Most recent IF: 4.6; 2020 IF: 4.259
Call Number EMAT @ emat @c:irua:169234 Serial 6362
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Author Nematollahi, P.
Title Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts Type Doctoral thesis
Year 2020 Publication Abbreviated Journal
Volume Issue Pages 173 p.
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
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Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169310 Serial 6481
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Author Eliaerts, J.
Title Qualitative and quantitative determination of cocaine using mid-infrared spectroscopy and chemometrics Type Doctoral thesis
Year 2020 Publication Abbreviated Journal
Volume Issue Pages 184 p.
Keywords Doctoral thesis; Law; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
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Language Wos Publication Date
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Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169398 Serial 6589
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Author Chen, C.; Sang, X.; Cui, W.; Xing, L.; Nie, X.; Zhu, W.; Wei, P.; Hu, Z.-Y.; Zhang, Q.; Van Tendeloo, G.; Zhao, W.
Title Atomic-resolution fine structure and chemical reaction mechanism of Gd/YbAl₃ thermoelectric-magnetocaloric heterointerface Type A1 Journal article
Year 2020 Publication Journal Of Alloys And Compounds Abbreviated Journal J Alloy Compd
Volume 831 Issue Pages 154722-154728
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Thermoelectric materials and magnetocaloric materials are promising candidates for solid-state refrigeration applications. The combination of thermoelectric and magnetocaloric effects could potentially lead to more efficient refrigeration techniques. We designed and successfully synthesized Gd/YbAl3 composites using a YbAl3 matrix with good low-temperature thermoelectric performance and Gd microspheres with a high magnetocaloric performance, using a sintering condition of 750 degrees C and 50 MPa. Using aberration-corrected scanning transmission electron microscopy (STEM), it was discovered that the heterointerface between Gd and YbAl 3 is composed of five sequential interfacial layers: GdAl3, GdAl2, GdAl, Gd3Al2, and Gd3Al. The diffusion of Al atoms plays a crucial role in the formation of these interfacial layers, while Yb or Gd do not participate in the interlayer diffusion. This work provides the essential structural information for further optimizing and designing high-performance composites for thermoelectric-magnetocaloric hybrid refrigeration applications. (C) 2020 Elsevier B.V. All rights reserved.
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Language Wos 000531727900005 Publication Date 2020-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 6.2 Times cited 1 Open Access Not_Open_Access
Notes ; This work was supported by National Natural Science Foundation of China (Nos. 11834012, 51620105014, 91963207, 91963122, 51902237) and National Key R&D Program of China (No. 2018YFB0703603, 2019YFA0704903, SQ2018YFE010905). EPMA experiments were performed at the Center for Materials Research and Testing of Wuhan University of Technology. The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX). ; Approved Most recent IF: 6.2; 2020 IF: 3.133
Call Number UA @ admin @ c:irua:169447 Serial 6455
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Author Van Oijstaeijen, W.; Van Passel, S.; Cools, J.
Title Urban green infrastructure: A review on valuation toolkits from an urban planning perspective Type A1 Journal Article
Year 2020 Publication Journal Of Environmental Management Abbreviated Journal J Environ Manage
Volume 267 Issue Pages 110603
Keywords A1 Journal Article; Engineering Management (ENM) ;
Abstract As a response to increasing urbanization and changing weather and climatic patterns, urban green infrastructure (UGI) emerged as a concept to increase resilience within the urban boundaries. Given that implementing these (semi-) natural solutions in practice requires a clear overview of the costs and benefits, valuation becomes ever important. A range of decision-support tools for green infrastructure and ecosystem services exist, developed for various purposes. This paper reviews the potential of 10 shortlisted and existing valuation tools to support investment decisions of urban green infrastructure. In the assessment, the functionality is regarded specifically from the urban planning and decision-making viewpoint. The toolkits were evaluated on 12 different criteria. After analyzing the toolkits on these criteria, the findings are evaluated on the (mis)match with specific requirements in the urban planning and management context. Secondly, recommendations and guidelines are formulated to support the design of simple valuation tools, tailored to support the development of green infrastructure in urban areas. Approaching the valuation toolkits biophysically and (socio-)economically provides an integral overview of the challenges and opportunities of the capacities of each framework. It was found that most tools are not designed for the peculiarities of the urban context. Several elements contribute to the hampering uptake of GI valuation tools. Firstly, the limited effort in the economic case for green infrastructure remains a burden to use toolkits to compare grey and green alternatives. Secondly, tools are currently seldom designed for the peculiarities of cities: urban ecosystem (dis)services, multi-scalability, life-span assessments of co-benefits and the importance of social benefits. Thirdly, toolkits should be the result of co-development between the scientific community and local authorities in order to create toolkits that are tailor made to the specific needs in the urban planning process. It can be concluded that current tools, are not readily applicable to support decision making as such. However, if applied cautiously, they can have an indicative role to pinpoint further targeted and in-depth analyses.
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Language Wos 000533525100040 Publication Date 2020-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-4797 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 8.7 Times cited Open Access
Notes Nature Smart Cities across the 2 Seas is an Interreg 2 Seas co-funded project to the value of €6,380,472. It consists of a total of 11 Partners from 4 EU Member States, who will work together to develop a business model that local authorities can use to justify the use of ‘city finance’ to fund their urban greening programmes. This project has received funding from the Interreg 2 Seas programme 2014-2020 co-funded by the European Regional Development Fund under subsidy contract No 2S05-048. Approved Most recent IF: 8.7; 2020 IF: 4.01
Call Number ENM @ enm @c:irua:169448 Serial 6384
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Author Parsons, T.G.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A.
Title Preparation of the noncentrosymmetric ferrimagnetic phase La0.9Ba0.1Mn0.96O2.43 by topochemical reduction Type A1 Journal article
Year 2020 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
Volume 287 Issue Pages 121356-121357
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Topochemical reduction of La0.9Ba0.1MnO3 with NaH at 225 degrees C yields the brownmillerite phase La0.9Ba0.1MnO2.5. However, reduction with CaH2 at 435 degrees C results in the formation of La0.9Ba0.1Mn0.96O2.43 via the deintercalation of both oxide anions and manganese cations from the parent perovskite phase. Electron and neutron diffraction data reveal La0.9Ba0.1Mn0.96O2.43 adopts a complex noncentrosymmetric structure, described in space group I23, confirmed by SHG measurements. Low-temperature neutron diffraction data reveal La0.9Ba0.1Mn0.96O2.43 adopts an ordered magnetic structure in which all the nearest neighbor interactions are antiferromagnetic. However, the presence of ordered manganese cation-vacancies results in a net ferrimagnetic structure with net saturated moment of 0.157(2) mu B per manganese center.
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Language Wos 000533632700029 Publication Date 2020-04-05
Series Editor Series Title Abbreviated Series Title
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ISSN 0022-4596 ISBN Additional Links (up) UA library record; WoS full record
Impact Factor 3.3 Times cited Open Access Not_Open_Access
Notes ; We thank the EPSRC for funding this work and E. Suard for assisting with the collection of the neutron powder diffraction data. PSH thanks the Welch Foundation (Grant E-1457) for support. ; Approved Most recent IF: 3.3; 2020 IF: 2.299
Call Number UA @ admin @ c:irua:169450 Serial 6583
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Author Muys, M.; Papini, G.; Spiller, M.; Sakarika, M.; Schwaiger, B.; Lesueur, C.; Vermeir, P.; Vlaeminck, S.E.
Title Dried aerobic heterotrophic bacteria from treatment of food and beverage effluents: Screening of correlations between operation parameters and microbial protein quality Type A1 Journal article
Year 2020 Publication Bioresource Technology Abbreviated Journal Bioresource Technol
Volume 307 Issue Pages 123242-11
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000528857700051 Publication Date 2020-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-8524 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 11.4 Times cited 1 Open Access
Notes ; The authors kindly thank (i) i-Cleantech Flanders MIP (Milieu-innovatieplatform) for financial support through the MicroNOD project (Microbial Nutrients on Demand), (ii) Erik Fransen (StatUA) for the helpful advice on the statistical analysis, and (iii) Ilse De Leersnyder and Diederik Leenknecht for assistance with the EAA analysis. ; Approved Most recent IF: 11.4; 2020 IF: 5.651
Call Number UA @ admin @ c:irua:169452 Serial 6491
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Author Van Pottelberge, R.
Title Comment on “Electron states for gapped pseudospin-1 fermions in the field of a charged impurity” Type Editorial
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 19 Pages 197102-197103
Keywords Editorial; Condensed Matter Theory (CMT)
Abstract In a recent paper [Phys. Rev. B 99, 155124 (2019)], the spectrum of a regularized Coulomb charge was studied in gapped pseudospin-1 systems generated by an alpha – T-3 lattice. The electronic spectrum was studied as a function of the impurity strength Z alpha. However, the results and conclusions on the behavior of the flatband states as a function of the impurity strength are incomplete. In this Comment, I argue that because of the dispersionless nature of the flatband, the states spread out under the influence of a charged impurity forming a continuous band of states. I support my arguments with explicit numerical calculations which show the emergence of a continuum of states.
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Language Wos 000533793600004 Publication Date 2020-05-20
Series Editor Series Title Abbreviated Series Title
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ISSN 2469-9969; 2469-9950 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited Open Access
Notes ; I would like to acknowledge very insightful discussions with the authors of the commented paper (V. P. Gusynin, E. V. Gorbar, and D. O. Oriekhov). F. M. Peeters is acknowledged for interesting discussions and proofreading. This research was supported by the Flemish Science Foundation through an aspirant research grant for R.V.P. ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:169476 Serial 6472
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Author Ji, Z.; Wang, H.; Canossa, S.; Wuttke, S.; Yaghi, O.M.
Title Pore Chemistry of Metal–Organic Frameworks Type A1 Journal article
Year 2020 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater
Volume 30 Issue 41 Pages 2000238
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The pores in metal–organic frameworks (MOFs) can be functionalized by placing chemical entities along the backbone and within the backbone. This chemistry is enabled by the architectural, thermal, and chemical robustness of the frameworks and the ability to characterize them by many diffraction and spectroscopic techniques. The pore chemistry of MOFs is articulated in terms of site isolation, coupling, and cooperation and relate that to their functions in guest recognition, catalysis, ion and electron transport, energy transfer, pore‐dynamic modulation, and interface construction. It is envisioned that the ultimate control of pore chemistry requires arranging functionalities into defined sequences and developing techniques for reading and writing such sequences within the pores.
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Publisher Place of Publication Editor
Language Wos 000532830900001 Publication Date 2020-05-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1616-301X ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 19 Times cited Open Access OpenAccess
Notes (Not present) Approved Most recent IF: 19; 2020 IF: 12.124
Call Number EMAT @ emat @c:irua:169485 Serial 6422
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Author Kong, X.; Li, L.; Liang, L.; Peeters, F.M.; Liu, X.-J.
Title The magnetic, electronic, and light-induced topological properties in two-dimensional hexagonal FeX₂ (X=Cl, Br, I) monolayers Type A1 Journal article
Year 2020 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett
Volume 116 Issue 19 Pages 192404-192405
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using Floquet-Bloch theory, we propose to realize chiral topological phases in two-dimensional (2D) hexagonal FeX2 (X=Cl, Br, I) monolayers under irradiation of circularly polarized light. Such 2D FeX2 monolayers are predicted to be dynamically stable and exhibit both ferromagnetic and semiconducting properties. To capture the full topological physics of the magnetic semiconductor under periodic driving, we adopt ab initio Wannier-based tight-binding methods for the Floquet-Bloch bands, with the light-induced bandgap closings and openings being obtained as the light field strength increases. The calculations of slabs with open boundaries show the existence of chiral edge states. Interestingly, the topological transitions with branches of chiral edge states changing from zero to one and from one to two by tuning the light amplitude are obtained, showing that the topological Floquet phase of high Chern number can be induced in the present Floquet-Bloch systems. Published under license by AIP Publishing.
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Language Wos 000533500900001 Publication Date 2020-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited 13 Open Access
Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (Nos. 11574008, 11761161003, 11825401, and 11921005), the Strategic Priority Research Program of Chinese Academy of Science (Grant No. XDB28000000), the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl), and the FLAG-ERA Project TRANS 2D TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-Department EWI-and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. This research also used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. X.K. and L.L. also acknowledge the work conducted at the Center for Nanophase Materials Sciences, which is a U.S. Department of Energy Office of Science User Facility. ; Approved Most recent IF: 4; 2020 IF: 3.411
Call Number UA @ admin @ c:irua:169496 Serial 6623
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