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Author Yang, S.; An, H.; Arnouts, S.; Wang, H.; Yu, X.; de Ruiter, J.; Bals, S.; Altantzis, T.; Weckhuysen, B.M.; van der Stam, W. url  doi
openurl 
  Title Halide-guided active site exposure in bismuth electrocatalysts for selective CO₂ conversion into formic acid Type A1 Journal article
  Year 2023 Publication Nature Catalysis Abbreviated Journal  
  Volume 6 Issue 9 Pages 796-806  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract It remains a challenge to identify the active sites of bismuth catalysts in the electrochemical CO2 reduction reaction. Here we show through in situ characterization that the activation of bismuth oxyhalide electrocatalysts to metallic bismuth is guided by the halides. In situ X-ray diffraction results show that bromide promotes the selective exposure of planar bismuth surfaces, whereas chloride and iodide result in more disordered active sites. Furthermore, we find that bromide-activated bismuth catalysts outperform the chloride and iodide counterparts, achieving high current density (>100 mA cm(-2)) and formic acid selectivity (>90%), suggesting that planar bismuth surfaces are more active for the electrochemical CO2 reduction reaction. In addition, in situ X-ray absorption spectroscopy measurements reveal that the reconstruction proceeds rapidly in chloride-activated bismuth and gradually when bromide is present, facilitating the formation of ordered planar surfaces. These findings show the pivotal role of halogens on selective facet exposure in activated bismuth-based electrocatalysts during the electrochemical CO2 reduction reaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001050367400001 Publication Date 2023-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2520-1158 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.8 Times cited 13 Open Access OpenAccess  
  Notes B.M.W. acknowledges support from the Strategic UU-TU/e Alliance project 'Joint Centre for Chemergy Research' as well as from the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO gravitation programme funded by the Ministry of Education, Culture and Science of the government of the Netherlands. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S.A. and T.A. acknowledge funding from the University of Antwerp Research fund (BOF). We also thank J. Wijten, J. Janssens and T. Prins (all from the Inorganic Chemistry and Catalysis group, Utrecht University) for helpful technical support. S. Deelen (Faculty of Science, Utrecht University) and L. Wu (Inorganic Chemistry and Catalysis group, Utrecht University) are acknowledged for the design of the in situ XRD cell. We also acknowledge B. Detlefs, P. Glatzel and V. Paidi (ESRF) for the support during the HERFD-XANES measurements on the ID26 beamline of the ESRF. Approved (down) Most recent IF: 37.8; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:199190 Serial 8877  
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Author Guttmann, P.; Bittencourt, C.; Rehbein, S.; Umek, P.; Ke, X.; Van Tendeloo, G.; Ewels, C.P.; Schneider, G. pdf  doi
openurl 
  Title Nanoscale spectroscopy with polarized X-rays by NEXAFS-TXM Type A1 Journal article
  Year 2012 Publication Nature photonics Abbreviated Journal Nat Photonics  
  Volume 6 Issue 1 Pages 25-29  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Near-edge X-ray absorption spectroscopy (NEXAFS)1 is an essential analytical tool in material science. Combining NEXAFS with scanning transmission X-ray microscopy (STXM) adds spatial resolution and the possibility to study individual nanostructures2, 3. Here, we describe a full-field transmission X-ray microscope (TXM) that generates high-resolution, large-area NEXAFS data with a collection rate two orders of magnitude faster than is possible with STXM. The TXM optical design combines a spectral resolution of E/ΔE = 1 × 104 with a spatial resolution of 25 nm in a field of view of 1520 µm and a data acquisition time of ~1 s. As an example, we present image stacks and polarization-dependent NEXAFS spectra from individual anisotropic sodium and protonated titanate nanoribbons. Our NEXAFS-TXM technique has the advantage that one image stack visualizes a large number of nanostructures and therefore already contains statistical information. This new high-resolution NEXAFS-TXM technique opens the way to advanced nanoscale science studies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000298416200011 Publication Date 2011-11-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1749-4885;1749-4893; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.852 Times cited 76 Open Access  
  Notes Approved (down) Most recent IF: 37.852; 2012 IF: 27.254  
  Call Number UA @ lucian @ c:irua:94198 Serial 2272  
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Author Parastaev, A.; Muravev, V.; Osta, E.H.; Kimpel, T.F.; Simons, J.F.M.; van Hoof, A.J.F.; Uslamin, E.; Zhang, L.; Struijs, J.J.C.; Burueva, D.B.; Pokochueva, E.V.; Kovtunov, K.V.; Koptyug, I.V.; Villar-Garcia, I.J.; Escudero, C.; Altantzis, T.; Liu, P.; Béché, A.; Bals, S.; Kosinov, N.; Hensen, E.J.M. url  doi
openurl 
  Title Breaking structure sensitivity in CO2 hydrogenation by tuning metal–oxide interfaces in supported cobalt nanoparticles Type A1 Journal article
  Year 2022 Publication Nature Catalysis Abbreviated Journal Nat Catal  
  Volume 5 Issue 11 Pages 1051-1060  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract A high dispersion of the active metal phase of transition metals on oxide supports is important when designing efficient heterogeneous catalysts. Besides nanoparticles, clusters and even single metal atoms can be attractive for a wide range of reactions. However, many industrially relevant catalytic transformations suffer from structure sensitivity, where reducing the size of the metal particles below a certain size substantially lowers catalytic performance. A case in point is the low activity of small cobalt nanoparticles in the hydrogenation of CO and CO2. Here we show how engineering of catalytic sites at the metal–oxide interface in cerium oxide–zirconium dioxide (ceria–zirconia)-supported cobalt can overcome this structure sensitivity. Few-atom cobalt clusters dispersed on 3 nm cobalt(II)-oxide particles stabilized by ceria–zirconia yielded a highly active CO2 methanation catalyst with a specific activity higher than that of larger particles under the same conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000884939300006 Publication Date 2022-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2520-1158 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.8 Times cited 32 Open Access OpenAccess  
  Notes This research was supported by the Applied and Engineering Sciences division of the Netherlands Organization for Scientific Research through the Alliander (now Qirion) Perspective program on Plasma Conversion of CO2. We acknowledge Diamond Light Source for time on beamline B18 under proposal SP20715-1. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO) and T.A. acknowledges funding from the University of Antwerp Research fund (BOF). A.B. received funding from the European Union under grant agreement No 823717 – ESTEEM3. The authors acknowledge funding through the Hercules grant (FWO, University of Antwerp) I003218N “Infrastructure for imaging nanoscale processes in gas/vapour or liquid environments”. I.V.K., D.B.B., and E.V.P. acknowledge the Russian Ministry of Science and Higher Education (contract 075-15-2021-580) for financial support of parahydrogen-based studies. Experiments using synchrotron radiation XPS were performed at the CIRCE beamline at ALBA Synchrotron with the collaboration of ALBA staff. F. Oropeza Palacio and Rim C.J. van de Poll are acknowledged for the help with RPES measurements.; esteem3reported; esteem3jra Approved (down) Most recent IF: 37.8  
  Call Number EMAT @ emat @c:irua:192068 Serial 7230  
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Author McCalla, E.; Abakumov, A.M.; Saubanere, M.; Foix, D.; Berg, E.J.; Rousse, G.; Doublet, M.-L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Dominko, R.; Tarascon, J.-M. pdf  doi
openurl 
  Title Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries Type A1 Journal article
  Year 2015 Publication Science Abbreviated Journal Science  
  Volume 350 Issue 350 Pages 1516-1521  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Lithium-ion (Li-ion) batteries that rely on cationic redox reactions are the primary energy source for portable electronics. One pathway toward greater energy density is through the use of Li-rich layered oxides. The capacity of this class of materials (>270 milliampere hours per gram) has been shown to be nested in anionic redox reactions, which are thought to form peroxo-like species. However, the oxygen-oxygen (O-O) bonding pattern has not been observed in previous studies, nor has there been a satisfactory explanation for the irreversible changes that occur during first delithiation. By using Li2IrO3 as a model compound, we visualize the O-O dimers via transmission electron microscopy and neutron diffraction. Our findings establish the fundamental relation between the anionic redox process and the evolution of the O-O bonding in layered oxides.  
  Address College de France, Chimie du Solide et de l'Energie, FRE 3677, 11 Place Marcelin Berthelot, 75231 Paris Cedex 05, France. ALISTORE-European Research Institute, FR CNRS 3104, 80039 Amiens, France. Reseau sur le Stockage Electrochimique de l'Energie (RS2E), FR CNRS 3459, France. Sorbonne Universites-UPMC Univ Paris 06, 4 Place Jussieu, F-75005 Paris, France. jean-marie.tarascon@college-de-france.fr  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000366591100056 Publication Date 2015-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 281 Open Access  
  Notes E.M. thanks the Fonds de Recherche du Québec–Nature et Technologies and ALISTORE–European Research Institute for funding this work, as well as the European community I3 networks for funding the neutron scattering research trip. This work was also funded by the Slovenian Research Agency research program P2-0148. This work is partially based on experiments performed at the Institut Laue Langevin. We thank J. Rodriguez-Carvajal for help with neutron scattering experiments and for fruitful discussions. We also thank M. T. Sougrati for performing the Sn-Mössbauer measurements. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02- 06CH11357. M.S. and M.-L.D. acknowledge high-performance computational resources from GENCI-CCRT/CINES (grant cmm6691). J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC Grant-Project670116-ARPEMA. Approved (down) Most recent IF: 37.205; 2015 IF: 33.611  
  Call Number c:irua:130202 Serial 4005  
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Author Boneschanscher, M.P.; Evers, W.H.; Geuchies, J.J.; Altantzis, T.; Goris, B.; Rabouw, F.T.; van Rossum, S.A.P.; van der Zant, H.S.J.; Siebbeles, L.D.A.; Van Tendeloo, G.; Swart, I.; Hilhorst, J.; Petukhov, A.V.; Bals, S.; Vanmaekelbergh, D.; pdf  url
doi  openurl
  Title Long-range orientation and atomic attachment of nanocrystals in 2D honeycomb superlattices Type A1 Journal article
  Year 2014 Publication Science Abbreviated Journal Science  
  Volume 344 Issue 6190 Pages 1377-1380  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Oriented attachment of synthetic semiconductor nanocrystals is emerging as a route for obtaining new semiconductors that can have Dirac-type electronic bands like graphene, but also strong spin-orbit coupling. The two-dimensional assembly geometry will require both atomic coherence and long-range periodicity of the superlattices. We show how the interfacial self-assembly and oriented attachment of nanocrystals results in two-dimensional (2D) metal chalcogenide semiconductors with a honeycomb superlattice. We present an extensive atomic and nanoscale characterization of these systems using direct imaging and wave scattering methods. The honeycomb superlattices are atomically coherent, and have an octahedral symmetry that is buckled; the nanocrystals occupy two parallel planes. Considerable necking and large-scale atomic motion occurred during the attachment process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000337531700035 Publication Date 2014-05-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075;1095-9203; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 304 Open Access OpenAccess  
  Notes Fwo; 262348 Esmi; 246791 Countatoms; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved (down) Most recent IF: 37.205; 2014 IF: 33.611  
  Call Number UA @ lucian @ c:irua:117095 Serial 1840  
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Author Flynn, G.J.; Janssens, K.; Vekemans, B.; [et al.] doi  openurl
  Title Elemental compositions of comet 81P/Wild 2 samples collected by Stardust Type A1 Journal article
  Year 2006 Publication Science Abbreviated Journal Science  
  Volume 314 Issue 5806 Pages 1731-1735  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000242833600046 Publication Date 2006-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075; 1095-9203 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 174 Open Access  
  Notes Approved (down) Most recent IF: 37.205; 2006 IF: 30.028  
  Call Number UA @ admin @ c:irua:61923 Serial 5603  
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Author Lundeberg, M.B.; Gao, Y.; Asgari, R.; Tan, C.; Van Duppen, B.; Autore, M.; Alonso-Gonzalez, P.; Woessner, A.; Watanabe, K.; Taniguchi, T.; Hillenbrand, R.; Hone, J.; Polini, M.; Koppens, F.H.L. pdf  doi
openurl 
  Title Tuning quantum nonlocal effects in graphene plasmonics Type A1 Journal article
  Year 2017 Publication Science Abbreviated Journal Science  
  Volume 357 Issue 6347 Pages 187-190  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The response of electron systems to electrodynamic fields that change rapidly in space is endowed by unique features, including an exquisite spatial nonlocality. This can reveal much about the materials' electronic structure that is invisible in standard probes that use gradually varying fields. Here, we use graphene plasmons, propagating at extremely slow velocities close to the electron Fermi velocity, to probe the nonlocal response of the graphene electron liquid. The near-field imaging experiments reveal a parameter-free match with the full quantum description of the massless Dirac electron gas, which involves three types of nonlocal quantum effects: single-particle velocity matching, interaction-enhanced Fermi velocity, and interaction-reduced compressibility. Our experimental approach can determine the full spatiotemporal response of an electron system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000405391700042 Publication Date 2017-07-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075; 1095-9203 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 87 Open Access  
  Notes ; F.H.L.K., M.P., and R.H. acknowledge support by the European Union Seventh Framework Programme under grant agreement no. 696656 Graphene Flagship. M. P. acknowledges support by Fondazione Istituto Italiano di Tecnologia. F. H. L. K. acknowledges financial support from the European Union Seventh Framework Programme under the ERC starting grant (307806, CarbonLight) and project GRASP (FP7-ICT-2013-613024-GRASP). F. H. L. K. acknowledges support from the Spanish Ministry of Economy and Competitiveness, through the “ Severo Ochoa” Programme for Centres of Excellence in R& D (SEV-2015-0522), support by Fundacio Cellex Barcelona, CERCA Programme/Generalitat de Catalunya, the Mineco grants Ramon y Cajal (RYC-2012-12281), Plan Nacional (FIS2013-47161-P and FIS2014-59639-JIN), and support from the Government of Catalonia through the SGR grant (2014-SGR-1535). R. H. acknowledges support from the Spanish Ministry of Economy and Competitiveness (national project MAT-2015-65525-R). P. A-G. acknowledges financial support from the national project FIS2014-60195-JIN and the ERC starting grant 715496, 2DNANOPTICA. K. W. and T. T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan, and JSPS KAKENHI grant numbers JP26248061, JP15K21722, and JP25106006. Y. G., C. T., and J. H. acknowledge support from the U. S. Office of Naval Research N00014-13-1-0662. C. T. was supported under contract FA9550-11-C-0028 and awarded by the Department of Defense, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate (NDSEG) Fellowship, 32 CFR 168a. This research used resources of the Center for Functional Nanomaterials, which is a U. S. Department of Energy Office of Science Facility at Brookhaven National Laboratory under contract no. DE-SC0012704. B. V. D. acknowledges support from the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. M. P. is extremely grateful for the financial support granted by ICFO during a visit in August 2016. This work used open source software (www. python. org, www. matplotlib. org, and www. blender. org). R. H. is cofounder of Neaspec GmbH, a company producing scattering-type scanning near-field optical microscope systems such as the ones used in this study. All other authors declare no competing financial interests. ; Approved (down) Most recent IF: 37.205  
  Call Number UA @ lucian @ c:irua:144833 Serial 4730  
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Author Udayabhaskararao, T.; Altantzis, T.; Houben, L.; Coronado-Puchau, M.; Langer, J.; Popovitz-Biro, R.; Liz-Marzán, L.M.; Vuković, L.; Král, P.; Bals, S.; Klajn, R. pdf  url
doi  openurl
  Title Tunable porous nanoallotropes prepared by post-assembly etching of binary nanoparticle superlattices Type A1 Journal article
  Year 2017 Publication Science Abbreviated Journal Science  
  Volume 358 Issue 358 Pages 514-518  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Self-assembly of inorganic nanoparticles has been used to prepare hundreds of different colloidal crystals, but almost invariably with the restriction that the particles must be densely packed. Here,we show that non–close-packed nanoparticle arrays can be fabricated through the selective removal of one of two components comprising binary nanoparticle superlattices. First, a variety of binary nanoparticle superlattices were prepared at the liquid-air interface, including several arrangements that were previously unknown. Molecular dynamics simulations revealed the particular role of the liquid in templating the formation of superlattices not achievable through self-assembly in bulk solution. Second, upon stabilization, all of these binary superlattices could be transformed into distinct “nanoallotropes”—nanoporous materials having the same chemical composition but differing in their nanoscale architectures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000413757500043 Publication Date 2017-10-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0036-8075 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.205 Times cited 113 Open Access OpenAccess  
  Notes This work was supported by the European Research Council (grants 336080 CONFINEDCHEM to R.K. and 335078 COLOURATOM to S.B.), the Rothschild Caesarea Foundation (R.K.), the NSF (Division of Materials Research, grant 1506886) (P.K.), the European Commission (grant EUSMI 731019 to L.M.L.-M. and S.B.), and the startup funding from the University of Texas at El Paso (L.V.). L.M.L.-M. acknowledges funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013- 46101-R). T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. The computer support was provided by the Texas Advanced Computing Center. All data are reported in the main text and supplementary materials. ECAS_Sara (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved (down) Most recent IF: 37.205  
  Call Number EMAT @ emat @c:irua:147242UA @ admin @ c:irua:147242 Serial 4770  
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Author Osorio-Tejada, J.; Escriba-Gelonch, M.; Vertongen, R.; Bogaerts, A.; Hessel, V. url  doi
openurl 
  Title CO₂ conversion to CO via plasma and electrolysis : a techno-economic and energy cost analysis Type A1 Journal article
  Year 2024 Publication Energy & environmental science Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Electrification and carbon capture technologies are essential for achieving net-zero emissions in the chemical sector. A crucial strategy involves converting captured CO2 into CO, a valuable chemical feedstock. This study evaluates the feasibility of two innovative methods: plasma activation and electrolysis, using clean electricity and captured CO2. Specifically, it compares a gliding arc plasma reactor with an embedded novel carbon bed system to a modern zero-gap type low-temperature electrolyser. The plasma method stood out with an energy cost of 19.5 GJ per tonne CO, marking a 43% reduction compared to electrolysis and conventional methods. CO production costs for plasma- and electrolysis-based plants were $671 and $962 per tonne, respectively. However, due to high uncertainty regarding electrolyser costs, the CO production costs in electrolysis-based plants may actually range from $570 to $1392 per tonne. The carbon bed system in the plasma method was a key factor in facilitating additional CO generation from O-2 and enhancing CO2 conversion, contributing to its cost-effectiveness. Challenges for electrolysis included high costs of equipment and low current densities. Addressing these limitations could significantly decrease production costs, but challenges arise from the mutual relationship between intrinsic parameters, such as CO2 conversion, CO2 input flow, or energy cost. In a future scenario with affordable feedstocks and equipment, costs could drop below $500 per tonne for both methods. While this may be more challenging for electrolysis due to complexity and expensive catalysts, plasma-based CO production appears more viable and competitive.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001218045900001 Publication Date 2024-05-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1754-5692; 1754-5706 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 32.5 Times cited Open Access  
  Notes Approved (down) Most recent IF: 32.5; 2024 IF: 29.518  
  Call Number UA @ admin @ c:irua:205986 Serial 9138  
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Author Rouwenhorst, K.H.R.; Jardali, F.; Bogaerts, A.; Lefferts, L. url  doi
openurl 
  Title Correction: From the Birkeland–Eyde process towards energy-efficient plasma-based NOXsynthesis: a techno-economic analysis Type A1 Journal Article
  Year 2023 Publication Energy & Environmental Science Abbreviated Journal Energy Environ. Sci.  
  Volume 16 Issue 12 Pages 6170-6173  
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;  
  Abstract Correction for ‘From the Birkeland–Eyde process towards energy-efficient plasma-based NO<sub><italic>X</italic></sub>synthesis: a techno-economic analysis’ by Kevin H. R. Rouwenhorst<italic>et al.</italic>,<italic>Energy Environ. Sci.</italic>, 2021,<bold>14</bold>, 2520–2534, https://doi.org/10.1039/D0EE03763J.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-11-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1754-5692 ISBN Additional Links  
  Impact Factor 32.5 Times cited Open Access  
  Notes H2020 European Research Council; Horizon 2020, 810182 ; Ministerie van Economische Zaken en Klimaat; Approved (down) Most recent IF: 32.5; 2023 IF: 29.518  
  Call Number PLASMANT @ plasmant @ Serial 8980  
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Author Poppe, R.; Roth, N.; Neder, R.B.; Palatinus, L.; Iversen, B.B.; Hadermann, J. url  doi
openurl 
  Title Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data Type A1 Journal article
  Year 2024 Publication IUCrJ Abbreviated Journal  
  Volume 11 Issue 1 Pages 82-91  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb0.84CoSb was chosen as a reference material. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms were refined from the diffuse scattering using a Monte Carlo refinement in DISCUS. The difference between the Sb and Co displacements refined from the diffuse scattering and the Sb and Co displacements refined from the Bragg reflections in single-crystal X-ray diffraction data is 0.012 (7) angstrom for the refinement on diffuse scattering in single-crystal X-ray diffraction data and 0.03 (2) angstrom for the refinement on the diffuse scattering in single-crystal electron diffraction data. As electron diffraction requires much smaller crystals than X-ray diffraction, this opens up the possibility of refining short-range order parameters in many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001168018300012 Publication Date 2023-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-2525 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access  
  Notes Approved (down) Most recent IF: 3.9; 2024 IF: 5.793  
  Call Number UA @ admin @ c:irua:205513 Serial 9170  
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Author Rezaei, M.; Ghasemitarei, M.; Razzokov, J.; Yusupov, M.; Ghorbanalilu, M.; Ejtehadi, M.R. pdf  doi
openurl 
  Title In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel Type A1 Journal article
  Year 2024 Publication Archives of biochemistry and biophysics Abbreviated Journal  
  Volume 751 Issue Pages 109835-109837  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The overexpression of voltage dependent anion channels (VDACs), particularly VDAC1, in cancer cells compared to normal cells, plays a crucial role in cancer cell metabolism, apoptosis regulation, and energy homeostasis. In this study, we used molecular dynamics (MD) simulations to investigate the effect of a low level of VDAC1 oxidation (induced e.g., by cold atmospheric plasma (CAP)) on the pyruvate (Pyr) uptake by VDAC1. Inhibiting Pyr uptake through VDAC1 can suppress cancer cell proliferation. Our primary target was to study the translocation of Pyr across the native and oxidized forms of hVDAC1, the human VDAC1. Specifically, we employed MD simulations to analyze the hVDAC1 structure by modifying certain cysteine residues to cysteic acids and methionine residues to methionine sulfoxides, which allowed us to investigate the effect of oxidation. Our results showed that the free energy barrier for Pyr translocation through the native and oxidized channel was approximately 4.3 +/- 0.7 kJ mol-1 and 10.8 +/- 1.8 kJ mol-1, respectively. An increase in barrier results in a decrease in rate of Pyr permeation through the oxidized channel. Thus, our results indicate that low levels of CAP oxidation reduce Pyr translocation, resulting in decreased cancer cell proliferation. Therefore, low levels of oxidation are likely sufficient to treat cancer cells given the inhibition of Pyr uptake.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001127850500001 Publication Date 2023-11-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-9861; 1096-0384 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access Not_Open_Access  
  Notes Approved (down) Most recent IF: 3.9; 2024 IF: 3.165  
  Call Number UA @ admin @ c:irua:202185 Serial 9046  
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Author Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R. url  doi
openurl 
  Title Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro Type A1 Journal article
  Year 2023 Publication Journal of petrology Abbreviated Journal  
  Volume 64 Issue 3 Pages egad008-18  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Oriented needle-, lath- and plate-shaped magnetite micro-inclusions in rock forming plagioclase from mafic intrusive rocks, were investigated using correlated optical microscopy and scanning transmission electron microscopy. The magnetite micro-inclusions were analysed on cuts parallel and perpendicular to the inclusion-elongation directions. The crystal structures of the two phases are in direct contact along the interfaces. The shape, shape orientation and crystallographic orientation relationships between the magnetite micro-inclusions and the plagioclase host appear to be controlled by the tendency of the system to optimise lattice match along the interfaces. The elongation direction of the inclusions ensures good match between prominent oxygen layers in the magnetite and plagioclase crystal structures across the interfaces bounding the inclusions parallel to their elongation direction. In cross-section, additional modes of lattice match, such as the commensurate impingement of magnetite and plagioclase lattice planes along the interfaces, the parallel alignment of the interfaces to low-index lattice planes of magnetite or plagioclase, or the parallel alignment to low index lattice planes of both phases are observed, which appear to control the selection of interface facets, as well as the shape and crystallographic orientation relationships between magnetite micro-inclusions and plagioclase host. The systematics of the inclusion cross-sectional shapes and crystallographic orientation relationships indicate recrystallisation of magnetite with potential implications for natural remanent magnetisation of magnetite-bearing plagioclase grains.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001010636400007 Publication Date 2023-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3530 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 3.28  
  Call Number UA @ admin @ c:irua:195160 Serial 7292  
Permanent link to this record
 

 
Author Oliveira, M.C.; Cordeiro, R.M.; Bogaerts, A. pdf  url
doi  openurl
  Title Effect of lipid oxidation on the channel properties of Cx26 hemichannels : a molecular dynamics study Type A1 Journal article
  Year 2023 Publication Archives of biochemistry and biophysics Abbreviated Journal  
  Volume 746 Issue Pages 109741-12  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Intercellular communication plays a crucial role in cancer, as well as other diseases, such as inflammation, tissue degeneration, and neurological disorders. One of the proteins responsible for this, are connexins (Cxs), which come together to form a hemichannel. When two hemichannels of opposite cells interact with each other, they form a gap junction (GJ) channel, connecting the intracellular space of these cells. They allow the passage of ions, reactive oxygen and nitrogen species (RONS), and signaling molecules from the interior of one cell to another cell, thus playing an essential role in cell growth, differentiation, and homeostasis. The importance of GJs for disease induction and therapy development is becoming more appreciated, especially in the context of oncology. Studies have shown that one of the mechanisms to control the formation and disruption of GJs is mediated by lipid oxidation pathways, but the underlying mechanisms are not well understood. In this study, we performed atomistic molecular dynamics simulations to evaluate how lipid oxidation influences the channel properties of Cx26 hemichannels, such as channel gating and permeability. Our results demonstrate that the Cx26 hemichannel is more compact in the presence of oxidized lipids, decreasing its pore diameter at the extracellular side and increasing it at the amino terminus domains, respectively. The permeability of the Cx26 hemichannel for water and RONS molecules is higher in the presence of oxidized lipids. The latter may facilitate the intracellular accumulation of RONS, possibly increasing oxidative stress in cells. A better understanding of this process will help to enhance the efficacy of oxidative stress-based cancer treatments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001079100300001 Publication Date 2023-09-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-9861; 1096-0384 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 3.165  
  Call Number UA @ admin @ c:irua:200282 Serial 9028  
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Author Craco, L.; Carara, S.S.; Barboza, E. da S.; Milošević, M.V.; Pereira, T.A.S. url  doi
openurl 
  Title Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder Type A1 Journal article
  Year 2023 Publication RSC advances Abbreviated Journal  
  Volume 13 Issue 26 Pages 17907-17913  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT + CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron arsenide (BAs). It is demonstrated that tensile strain and static diagonal disorder both reduce the semiconducting one-particle band gap of BAs, and a V-shaped p-band electronic state emerges – enabling advanced valleytronics based on strained and disordered semiconducting bulk crystals. At biaxial tensile strains close to 15% the valence band lineshape relevant for optoelectronics is shown to coincide with one reported for GaAs at low energies. The role played by static disorder on the As sites is to promote p-type conductivity in the unstrained BAs bulk crystal, consistent with experimental observations. These findings illuminate the intricate and interdependent changes in crystal structure and lattice disorder on the electronic degrees of freedom of semiconductors and semimetals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001008414700001 Publication Date 2023-06-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 3.108  
  Call Number UA @ admin @ c:irua:197317 Serial 8861  
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Author Ulu Okudur, F.; Batuk, M.; Hadermann, J.; Safari, M.; De Sloovere, D.; Kumar Mylavarapu, S.; Joos, B.; D'Haen, J.; Van Bael, M.K.; Hardy, A. url  doi
openurl 
  Title Solution-gel-based surface modification of LiNi0.5Mn1.5O4-δ with amorphous Li-Ti-O coating Type A1 Journal article
  Year 2023 Publication RSC advances Abbreviated Journal  
  Volume 13 Issue 47 Pages 33146-33158  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract LNMO (LiNi0.5Mn1.5O4-delta) is a high-energy density positive electrode material for lithium ion batteries. Unfortunately, it suffers from capacity loss and impedance rise during cycling due to electrolyte oxidation and electrode/electrolyte interface instabilities at high operating voltages. Here, a solution-gel synthesis route was used to coat 0.5-2.5 mu m LNMO particles with amorphous Li-Ti-O (LTO) for improved Li conduction, surface structural stability and cyclability. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) analysis coupled with energy dispersive X-ray (EDX) showed Ti-rich amorphous coatings/islands or Ti-rich spinel layers on many of the LTO-modified LNMO facets, with a thickness varying from about 1 to 10 nm. The surface modification in the form of amorphous islands was mostly possible on high-energy crystal facets. Physicochemical observations were used to propose a molecular mechanism for the surface modification, combining insights from metalorganic chemistry with the crystallographic properties of LNMO. The improvements in functional properties were investigated in half cells. The cell impedance increased faster for the bare LNMO compared to amorphous LTO modified LNMO, resulting in R-ct values as high as 1247 Omega (after 1000 cycles) for bare LNMO, against 216 Omega for the modified material. At 10C, the modified material boosted a 15% increase in average discharge capacity. The improvements in electrochemical performance were attributed to the increase in electrochemically active surface area, as well as to improved HF-scavenging, resulting in the formation of protective byproducts, generating a more stable interface during prolonged cycling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001102666700001 Publication Date 2023-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 3.108  
  Call Number UA @ admin @ c:irua:202091 Serial 9096  
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Author Bathula, G.; Rana, S.; Bandalla, S.; Dosarapu, V.; Mavurapu, S.; Rajeevan, V.V.A.; Sharma, B.; Jonnalagadda, S.B.; Baithy, M.; Vasam, C.S. url  doi
openurl 
  Title The role of WOx and dopants (ZrO₂ and SiO₂) on CeO₂-based nanostructure catalysts in the selective oxidation of benzyl alcohol to benzaldehyde under ambient conditions Type A1 Journal article
  Year 2023 Publication RSC advances Abbreviated Journal  
  Volume 13 Issue 51 Pages 36242-36253  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Herein, the efficacy of WOx-promoted CeO2-SiO2 and CeO2-ZrO2 mixed oxide catalysts in the solvent-free selective oxidation of benzyl alcohol to benzaldehyde using molecular oxygen as an oxidant is reported. We evaluated the effects of the oxidant and catalyst concentration, reaction duration, and temperature on the reaction with an aim to optimize the reaction conditions. The as-prepared CeO2, CeO2-ZrO2, CeO2-SiO2, WOx/CeO2, WOx/CeO2-ZrO2, and WOx/CeO2-SiO2 catalysts were characterized by X-ray diffraction (XRD), N-2 adsorption-desorption, Raman spectroscopy, temperature-programmed desorption of ammonia (TPD-NH3), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). These characterisation results indicated that the WOx/CeO2-SiO2 catalyst possessed improved physicochemical (i.e., structural, textural, and acidic) properties owing to the strong interactivity between WOx and CeO2-SiO2. A higher number of Ce3+ ions (I-u '''/I-Total) were created with the WOx/CeO2-SiO2 catalyst than those with the other catalysts in this work, indicating the generation of a high number of oxygen vacancies. The WOx/CeO2-SiO2 catalyst exhibited a high conversion of benzyl alcohol (>99%) and a high selectivity (100%) toward benzaldehyde compared to the other promoted catalysts (i.e., WOx/CeO2 and WOx/CeO2-ZrO2), which is attributed to the smaller particle size of the WOx and CeO2 and their high specific surface area, more significant number of acidic sites, and superior number of oxygen vacancies. The WOx/CeO2-SiO2 catalyst could be quickly recovered and utilized at least five times without suffering any appreciable activity loss.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001123102800001 Publication Date 2023-12-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 3.108  
  Call Number UA @ admin @ c:irua:202115 Serial 9107  
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Author Phuttaro, C.; Krishnan, S.; Saritpongteeraka, K.; Charnnok, B.; Diels, L.; Chaiprapat, S. pdf  doi
openurl 
  Title Integrated poultry waste management by co-digestion with perennial grass : effects of mixing ratio, pretreatments, reaction temperature, and effluent recycle on biomethanation yield Type A1 Journal article
  Year 2023 Publication Biochemical engineering journal Abbreviated Journal  
  Volume 196 Issue Pages 108937-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This work aims to enhance the efficiency of integrated poultry waste management in bio-circular-green economy by maximizing the co-digestion of chicken manure and its digestate-grown biomass. In a series of batch assays, Napier grass (NG) was mixed with chicken manure (CM) at various proportions (100:0, 80:20, 60:40, 50:50, 40:60, 20:80 and 0:100) to identify co-substrate synergism, followed by physiochemical conditioning (size reduction and ultrasonication) of NG before co-digestion. Results indicated that NG mix of at least 80% was required to gain a full methanation potential of the individual substrates; no synergistic ratio above unity was found. However, the combined effect of size reduction and sonication was found to markedly improve the cosubstrate's biodegradability by 88.7%. The findings were then used to run continuous co-digestion at various operating regimes. In optimal continuous co-digestion condition, NG particle size of 0.6-2.4 mm combined with sonication intensity at 1111 kJ/kgTS improved biomethanation yield as high as 106.3%. Sub-thermophilic digestion at 45 degrees C was shown to give a higher and more stable CH4 yield than at 55 degrees C. Finally, it was also found that recycling liquid effluent at 40% to replace freshwater in feed, although showed no significant difference in CH4 yield (& alpha; = 0.05), noticeably increased system buffer capacity. This optimized biodegradation regime could give co-digestion waste management a higher overall plant efficiency and economic return.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001054826200001 Publication Date 2023-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1369-703x; 1873-295x ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access Not_Open_Access  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 2.892  
  Call Number UA @ admin @ c:irua:199209 Serial 8887  
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Author Dinger, J.; Friedrich, T.; Reimann, T.; Toepfer, J. url  doi
openurl 
  Title NiMn₂O₄ revisited : temperature-dependent cation distribution from in situ neutron diffraction and thermopower studies Type A1 Journal article
  Year 2023 Publication Journal of the American Ceramic Society Abbreviated Journal  
  Volume 106 Issue 3 Pages 1834-1847  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The cation distribution of the negative temperature coefficient (NTC) thermistor spinel NiMn2O4 was studied in the temperature range from 55 to 900 degrees C, using a combined in situ neutron diffraction and thermopower study. Rietveld refinements of in situ neutron diffraction data reveal a temperature dependence of the degree of inversion with an inversion parameter of 0.70(1) at 900 degrees C and 0.87(1) at 55 degrees C. Thermopower measurements were evaluated using a modified Heikes formula, and the [Mn4+]/[Mn3+] ratio on octahedral sites of the spinel structure was calculated considering spin and orbital degeneracy. The inversion degree and disproportionation parameter, determined independently as function of temperature, were used to calculate the cation distribution of NiMn2O4 in the whole temperature range. At high temperature, within the stability range of the spinel, the cation distribution is characterized by a moderate degree of inversion with a concentration of NiB2+${\mathrm{Ni}}\mathrm{B}<  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000880360600001 Publication Date 2022-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7820 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 2.841  
  Call Number UA @ admin @ c:irua:192087 Serial 7326  
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Author Maes, R.R.; Potters, G.; Fransen, E.; Geuens, J.; Van Schaeren, R.; Lenaerts, S. url  doi
openurl 
  Title Can we find an optimal fatty acid composition of biodiesel in order to improve oxidation stability? Type A1 Journal article
  Year 2023 Publication Sustainability Abbreviated Journal  
  Volume 15 Issue 13 Pages 10310-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Medical Genetics (MEDGEN)  
  Abstract Air quality currently poses a major risk for human health. Currently, diesel is widely used as fuel and is a significant source of nitrogen oxides (NOx) and particulate matter (PM), both hazardous to human health. A good alternative for mineral diesel is biodiesel, not only for the improvement of hazardous components in the exhaust gases but also because it can be produced in view of a circular economy. Biodiesel consists of a mix of different fatty acid methyl esters, which can react with oxygen. As a consequence, the oxidation stability of biodiesel has to be studied, because the oxidation of biodiesel could affect the performance of the engine due to the wear of injectors and fuel pumps. The oxidation stability could also affect the quality of the exhaust gases due to increases in NOx and PM. The basic question we try to answer in this communication is: 'Can we find an optimal fatty acid composition in order to have a maximal oxidation stability?' In this article, we try to find the optimal fatty acid composition according to the five most common fatty acid methyl esters present in biodiesel in order to reach a maximal oxidation stability. The measurements and statistical analysis show, however, that there is no useful regression model because there are statistically significant two- and three-way interactions among the different fatty acids.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001028597300001 Publication Date 2023-06-30  
  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 3.9 Times cited Open Access OpenAccess  
  Notes Approved (down) Most recent IF: 3.9; 2023 IF: 1.789  
  Call Number UA @ admin @ c:irua:198241 Serial 8839  
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Author Idrissi, H.; Samaee, V.; Lumbeeck, G.; Werf, T.; Pardoen, T.; Schryvers, D.; Cordier, P. pdf  url
doi  openurl
  Title In Situ Quantitative Tensile Testing of Antigorite in a Transmission Electron Microscope Type A1 Journal article
  Year 2020 Publication Journal Of Geophysical Research-Solid Earth Abbreviated Journal J Geophys Res-Sol Ea  
  Volume 125 Issue 3 Pages  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The determination of the mechanical properties of serpentinites is essential toward 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 evolving microstructure is imaged with the microscope. The experiments have been performed at room temperature on 2 × 1 × 0.2 μm3 beams prepared by focused ion beam. The specimens are not single crystals despite their small sizes. Orientation mapping indicated that several grains were well oriented for plastic slip. However, no dislocation activity has been observed even though the engineering tensile stress went up to 700 MPa. We show also that antigorite does not exhibit a purely elastic‐brittle behavior since, despite the presence of defects, the specimens accumulate permanent 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 these 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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000530895800023 Publication Date 2020-02-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2169-9313 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes We thank S. Guillot for having kindly provided us with the two antigorite samples investigated in this study. We acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program under Grant Agreement 787198—TimeMan. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR‐FNRS). We acknowledge fruitful discussions with A. Baronnet. We thank J. Gasc and an anonymous reviewer for their critical comments. Data (movies of the three in situ deformation experiments) can be downloaded (from https://doi.org/10.5281/zenodo.3583135). Approved (down) Most recent IF: 3.9; 2020 IF: 3.35  
  Call Number EMAT @ emat @c:irua:167594 Serial 6355  
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Author Reijniers, J.; Partoens, B.; Steckel, J.; Peremans, H. doi  openurl
  Title HRTF measurement by means of unsupervised head movements with respect to a single fixed speaker Type A1 Journal article
  Year 2020 Publication Ieee Access Abbreviated Journal Ieee Access  
  Volume 8 Issue Pages 92287-92300  
  Keywords A1 Journal article; Mass communications; Engineering Management (ENM); Condensed Matter Theory (CMT); Co-Design of Cyber-Physical Systems (Cosys-Lab)  
  Abstract In a standard state-of-the-art measurement the head-related transfer function (HRTF) is obtained in an anechoic room with an elaborate setup involving multiple calibrated loudspeakers. In search for a simplified method that would open up the possibility for an HRTF measurement in a home environment, it has been suggested that this setup could be replaced with one with a single, fixed loudspeaker. In such a setup, the subject samples different directions by moving the head with respect to this loudspeaker, while the head movements are tracked in some way. In this paper, the feasibility of such an approach is studied. To this end, the HRTF is measured in an unmodified (non-anechoic) room by means of a single external speaker and a high resolution head tracking system. The differences between the dynamically obtained HRTF and the standard static HRTF are investigated, and are shown to be mostly due to variable torso reflections.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000539041600001 Publication Date 2020-05-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2169-3536 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited 4 Open Access  
  Notes ; This work was supported in part by the Research Foundation Flanders (FWO) under Grant G023619N, and in part by the Agency for Innovation and Entrepreneurship (VLAIO). ; Approved (down) Most recent IF: 3.9; 2020 IF: 3.244  
  Call Number UA @ admin @ c:irua:170318 Serial 6539  
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Author Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M. pdf  url
doi  openurl
  Title How do nitrated lipids affect the properties of phospholipid membranes? Type A1 Journal article
  Year 2020 Publication Archives Of Biochemistry And Biophysics Abbreviated Journal Arch Biochem Biophys  
  Volume 695 Issue Pages 108548  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Biological membranes are under constant attack of free radicals, which may lead to lipid nitro-oxidation, pro­ ducing a complex mixture of nitro-oxidized lipids that are responsible for structural and dynamic changes on the membrane. Despite the latter, nitro-oxidized lipids are also associated with several inflammatory and neuro­ degenerative diseases, the underlying mechanisms of which remain elusive. We perform atomistic molecular dynamics simulations using several isomers of nitro-oxidized lipids to study their effect on the structure and permeability of the membrane, as well as the interaction between the mixture of these products in the phos­pholipid membrane environment. Our results show that the stereo- and positional isomers have a stronger effect on the properties of the membrane composed of oxidized lipids compared to that containing nitrated lipids. Nevertheless, nitrated lipids lead to three-fold increase in water permeability compared to oxidized lipids. In addition, we show that in a membrane consisting of combined nitro-oxidized lipid products, the presence of oxidized lipids protects the membrane from transient pores. Is well stablished that plasma application and photodynamic therapy produces a number of oxidative species used to kill cancer cells, through membrane damage induced by nitro-oxidative stress. This study is important to elucidate the mechanisms and the molecular level properties involving the reactive species produced during that cancer therapies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000594173400010 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-9861 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited Open Access  
  Notes CAPES; Flanders Research Foundation, 1200219N ; We thank Universidade Federal do ABC for providing the computa­tional resources needed for completion of this work and CAPES for scholarship granted. M.Y. acknowledges the Flanders Research Foun­dation (grant 1200219N) for financial support. Approved (down) Most recent IF: 3.9; 2020 IF: 3.165  
  Call Number PLASMANT @ plasmant @c:irua:173861 Serial 6440  
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Author Jovanović, Z.; Gauquelin, N.; Koster, G.; Rubio-Zuazo, J.; Ghosez, P.; Verbeeck, J.; Suvorov, D.; Spreitzer, M. pdf  url
doi  openurl
  Title Simultaneous heteroepitaxial growth of SrO (001) and SrO (111) during strontium-assisted deoxidation of the Si (001) surface Type A1 Journal article
  Year 2020 Publication Rsc Advances Abbreviated Journal Rsc Adv  
  Volume 10 Issue 52 Pages 31261-31270  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Epitaxial integration of transition-metal oxides with silicon brings a variety of functional properties to the well-established platform of electronic components. In this process, deoxidation and passivation of the silicon surface are one of the most important steps, which in our study were controlled by an ultra-thin layer of SrO and monitored by using transmission electron microscopy (TEM), electron energy-loss spectroscopy (EELS), synchrotron X-ray diffraction (XRD) and reflection high energy electron diffraction (RHEED) methods. Results revealed that an insufficient amount of SrO leads to uneven deoxidation of the silicon surface<italic>i.e.</italic>formation of pits and islands, whereas the composition of the as-formed heterostructure gradually changes from strontium silicide at the interface with silicon, to strontium silicate and SrO in the topmost layer. Epitaxial ordering of SrO, occurring simultaneously with silicon deoxidation, was observed. RHEED analysis has identified that SrO is epitaxially aligned with the (001) Si substrate both with SrO (001) and SrO (111) out-of-plane directions. This observation was discussed from the point of view of SrO desorption, SrO-induced deoxidation of the Si (001) surface and other interfacial reactions as well as structural ordering of deposited SrO. Results of the study present an important milestone in understanding subsequent epitaxial integration of functional oxides with silicon using SrO.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000566579400025 Publication Date 2020-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited 1 Open Access OpenAccess  
  Notes Vlaamse regering, Hercules Fund ; Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja, III 45006 ; Javna Agencija za Raziskovalno Dejavnost RS, J2-9237 P2-0091 ; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; Ministerio de Ciencia, Innovación y Universidades; Universiteit Antwerpen, GOA project Solarpaint ; F.R.S.-FNRS, PDR project PROMOSPAN ; Consejo Superior de Investigaciones Cientificas; University of Liège, ARC project AIMED ; Ministry of Education, Science and Sport, M.ERA-NET project SIOX ; Approved (down) Most recent IF: 3.9; 2020 IF: 3.108  
  Call Number EMAT @ emat @c:irua:172059 Serial 6416  
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Author Bafekry, A.; Nguyen, C., V; Goudarzi, A.; Ghergherehchi, M.; Shafieirad, M. url  doi
openurl 
  Title Investigation of strain and doping on the electronic properties of single layers of C₆N₆ and C₆N₈: a first principles study Type A1 Journal article
  Year 2020 Publication Rsc Advances Abbreviated Journal Rsc Adv  
  Volume 10 Issue 46 Pages 27743-27751  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this work, by performing first-principles calculations, we explore the effects of various atom impurities on the electronic and magnetic properties of single layers of C(6)N(6)and C6N8. Our results indicate that atom doping may significantly modify the electronic properties. Surprisingly, doping Cr into a holey site of C(6)N(6)monolayer was found to exhibit a narrow band gap of 125 meV upon compression strain, considering the spin-orbit coupling effect. Also, a C atom doped in C(6)N(8)monolayer shows semi-metal nature under compression strains larger than -2%. Our results propose that Mg or Ca doped into strained C(6)N(6)may exhibit small band gaps in the range of 10-30 meV. In addition, a magnetic-to-nonmagnetic phase transition can occur under large tensile strains in the Ca doped C(6)N(8)monolayer. Our results highlight the electronic properties and magnetism of C(6)N(6)and C(6)N(8)monolayers. Our results show that the electronic properties can be effectively modified by atom doping and mechanical strain, thereby offering new possibilities to tailor the electronic and magnetic properties of C(6)N(6)and C(6)N(8)carbon nitride monolayers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000553911800053 Publication Date 2020-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited 11 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; Approved (down) Most recent IF: 3.9; 2020 IF: 3.108  
  Call Number UA @ admin @ c:irua:172111 Serial 6553  
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Author Bafekry, A.; Shojai, F.; Hoat, D.M.; Shahrokhi, M.; Ghergherehchi, M.; Nguyen, C. url  doi
openurl 
  Title The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations Type A1 Journal article
  Year 2020 Publication Rsc Advances Abbreviated Journal Rsc Adv  
  Volume 10 Issue 51 Pages 30398-30405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Herein, by using first-principles calculations, we demonstrate a two-dimensional (2D) of XSb (X = Si, Ge, and Sn) monolayers that have a honey-like crystal structure. The structural, mechanical, electronic, thermoelectric efficiency, and optical properties of XSb monolayers are studied.Ab initiomolecular dynamic simulations and phonon dispersion calculations suggests their good thermal and dynamical stabilities. The mechanical properties of XSb monolayers shows that the monolayers are considerably softer than graphene, and their in-plane stiffness decreases from SiSb to SnSb. Our results shows that the single layers of SiSb, GeSb and SnSb are semiconductor with band gap of 1.48, 0.77 and 0.73 eV, respectively. The optical analysis illustrate that the first absorption peaks of the SiSb, GeSb and SnSb monolayers along the in-plane polarization are located in visible range of light which may serve as a promising candidate to design advanced optoelectronic devices. Thermoelectric properties of the XSb monolayers, including Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor and figure of merit are calculated as a function of doping level at temperatures of 300 K and 800 K. Between the studied two-dimensional materials (2DM), SiSb single layer may be the most promising candidate for application in the thermoelectric generators.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000561344000009 Publication Date 2020-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited 2 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). ; Approved (down) Most recent IF: 3.9; 2020 IF: 3.108  
  Call Number UA @ admin @ c:irua:172074 Serial 6624  
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Author Bafekry, A.; Shojaei, F.; Obeid, M.M.; Ghergherehchi, M.; Nguyen, C.; Oskouian, M. url  doi
openurl 
  Title Two-dimensional silicon bismotide (SiBi) monolayer with a honeycomb-like lattice: first-principles study of tuning the electronic properties Type A1 Journal article
  Year 2020 Publication Rsc Advances Abbreviated Journal Rsc Adv  
  Volume 10 Issue 53 Pages 31894-31900  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using density functional theory, we investigate a novel two-dimensional silicon bismotide (SiBi) that has a layered GaSe-like crystal structure.Ab initiomolecular dynamic simulations and phonon dispersion calculations suggest its good thermal and dynamical stability. The SiBi monolayer is a semiconductor with a narrow indirect bandgap of 0.4 eV. Our results show that the indirect bandgap decreases as the number of layers increases, and when the number of layers is more than six layers, direct-to-indirect bandgap switching occurs. The SiBi bilayer is found to be very sensitive to an E-field. The bandgap monotonically decreases in response to uniaxial and biaxial compressive strain, and reaches 0.2 eV at 5%, while at 6%, the semiconductor becomes a metal. For both uniaxial and biaxial tensile strains, the material remains a semiconductor and indirect-to-direct bandgap transition occurs at a strain of 3%. Compared to a SiBi monolayer with a layer thickness of 4.89 angstrom, the bandgap decreases with either increasing or decreasing layer thickness, and at a thicknesses of 4.59 to 5.01 angstrom, the semiconductor-to-metal transition happens. In addition, under pressure, the semiconducting character of the SiBi bilayer with a 0.25 eV direct bandgap is preserved. Our results demonstrate that the SiBi nanosheet is a promising candidate for designing high-speed low-dissipation devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000565206400027 Publication Date 2020-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited 8 Open Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant, funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). ; Approved (down) Most recent IF: 3.9; 2020 IF: 3.108  
  Call Number UA @ admin @ c:irua:172045 Serial 6644  
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Author Uytdenhouwen, Y.; Meynen, V.; Cool, P.; Bogaerts, A. pdf  url
doi  openurl
  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.  
  Address  
  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 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 (down) Most recent IF: 3.9; 2020 IF: 3.082  
  Call Number PLASMANT @ plasmant @c:irua:169222 Serial 6364  
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Author Finizola e Silva, M.; Van Passel, S. url  doi
openurl 
  Title Climate-Smart Agriculture in the Northeast of Brazil: An Integrated Assessment of the Aquaponics Technology Type A1 Journal Article
  Year 2020 Publication Sustainability Abbreviated Journal Sustainability-Basel  
  Volume 12 Issue 9 Pages 3734  
  Keywords A1 Journal Article; aquaponics; Aquaponova; Brazil; semi-arid region; food insecurity; cost–benefit analysis; socio-economic approach; climate-smart agriculture; Engineering Management (ENM) ;  
  Abstract The purpose of this study is to determine if aquaponic systems can reduce food insecurity in the semi-arid regions of Brazil and generate income for the beneficiaries. Aquaponics is a potentially sustainable way to produce food based on gardening, hydroponics and aquaculture. A case study, based on a project called Aquaponova, was developed. The aquaponic systems currently used in the project are non-commercial and designed for households with limited resources. The data based on six existing systems within this project were used to compare the costs and the benefits. The cost–benefit analysis covers four scenarios and three financing options. The results show that aquaponic systems have a large potential and can reduce food insecurity in semi-arid regions while generating income for the beneficiaries. Even if the system only produces 40% of the total estimated production, the system will still be feasible. However, the low opportunity cost of labour is an essential factor for obtaining these positive results. Moreover, the social benefits, such as a community spirit and the health benefits of the system, should not be underestimated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000537476200232 Publication Date 2020-05-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2071-1050 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.9 Times cited Open Access  
  Notes We would like to express our gratitude to Francisco Fechine Borges who introduced Maíra Finizola e Silva the basics of aquaponics and gave her the opportunity to base her research on the data from the Aquaponova project. We would also like to thank the participants of the 2nd LA SDEWES conference in Buenos Aires (9–12 February 2020) for the useful comments and suggestions. Approved (down) Most recent IF: 3.9; 2020 IF: 1.789  
  Call Number ENM @ enm @c:irua:170074 Serial 6382  
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Author Puglisi, A.; Bassini, S.; Reimhult, E. doi  openurl
  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 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 (down) Most recent IF: 3.994  
  Call Number UA @ admin @ c:irua:192273 Serial 7749  
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