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Author Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. pdf  doi
openurl 
  Title A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility Type A1 Journal article
  Year 2020 Publication (up) Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 534 Issue Pages 147607  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582367700045 Publication Date 2020-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:174301 Serial 6682  
Permanent link to this record
 

 
Author Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. pdf  doi
openurl 
  Title Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study Type A1 Journal article
  Year 2021 Publication (up) Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 540 Issue 1 Pages 148289  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000599883200005 Publication Date 2020-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174956 Serial 6688  
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Author Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H. pdf  doi
openurl 
  Title Stable Janus TaSe₂ single-layers via surface functionalization Type A1 Journal article
  Year 2021 Publication (up) Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 538 Issue Pages 148064  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000595860900001 Publication Date 2020-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174964 Serial 6699  
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Author Van Dijck, J.G.; Mampuys, P.; Ching, H.Y.V.; Krishnan, D.; Baert, K.; Hauffman, T.; Verbeeck, J.; Van Doorslaer, S.; Maes, B.U.W.; Dorbec, M.; Buekenhoudt, A.; Meynen, V. pdf  url
doi  openurl
  Title Synthesis – properties correlation and the unexpected role of the titania support on the Grignard surface modification Type A1 Journal article
  Year 2020 Publication (up) Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 527 Issue Pages 146851-17  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract While the impact of reaction conditions on surface modification with Grignard reactants has been studied for silica supports, such information is absent for metal oxides like titania. Differences between modified titania and silica are observed, making it paramount to explore the reaction mechanism. A detailed study on the impact of the reaction conditions is reported, with a focus on the chain length of the alkyl Grignard reactant, its concentration, the reaction time and temperature, and the type of titania support. While the increase in the chain length reduces the amount of organic groups on the surface, the concentration, time and temperature show little/no influence on the modification degree. However, the type of titania support used and the percentage of amorphous phase present has a significant impact on the amount of grafted groups. Even though the temperature and concentration show no clear impact on the modification degree, they can cause changes in the surface hydroxyl population, which are thus not linked to the modification degree. Furthermore, the titania support is reduced during functionalization. This reduction dependents on the reaction temperature, the titania support and the chain length of the Grignard reactant. Similarly, this reduction is not linked to the modification degree.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000564205300003 Publication Date 2020-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 5 Open Access OpenAccess  
  Notes ; The FWO (Fonds Wetenschappelijk Onderzoek) is gratefully acknowledged for the VITO-FWO grant of fellow Jeroen G. Van Dijck (11W9416N) and the financial support granted in project GO12712N. The E.U. is acknowledged for H.Y. Vincent Ching's H2020-MSCA-IF (grant number 792946, iSPY). Dileep Krishnan and Johan Verbeeck acknowledge funding from GOA project “solarpaint” of the University of Antwerp. ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:169722 Serial 6712  
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Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Ziabari, A.A.; Khatibani, A.B.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title Adsorption of habitat and industry-relevant molecules on the MoSi₂N₄ monolayer Type A1 Journal article
  Year 2021 Publication (up) Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 564 Issue Pages 150326  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption of various environmental gas molecules, including H-2, N-2, CO, CO2, O-2, NO, NO2, SO2 H2O, H2S, NH3 and CH4, on the surface of the recently synthesized two dimensional MoSi2N4 (MSN) monolayer has been investigated by means of spin-polarized first-principles calculations. The most stable adsorption configuration, adsorption energy, and charge transfer have been computed. Due to the weak interaction between molecules studied with the MSN monolayer surface, the adsorption energy is small and does not yield any significant distortion of the MSN lattice, i.e., the interaction between the molecules and MSN monolayer surface is physisorption. We find that all molecules are physisorbed on the MSM surface with small charge transfer, acting as either charge acceptors or donors. The MSN monolayer is a semiconductor with an indirect band gap of 1.79 eV. Our theoretical estimations reveal that upon adsorption of H-2, N-2, CO, CO2, NO, H2O, H2S, NH3 and CH4 molecules, the semiconducting character of MSN monolayer is preserved and the band gap value is decreased to similar to 1.5 eV. However, the electronic properties of the MSN monolayer can be significantly altered by adsorption of O-2, NO and SO2, and a spin polarization with magnetic moments of 2, 1, 2 mu(B), respectively, can be introduced. Furthermore, we demonstrate that the band gap and the magnetic moment of adsorbed MSN monolayer can be significantly modulated by the concentration of NO and SO2 molecules. As the concentration of NO2 molecule increases, the magnetic moment increase from 1 mu(B) to 2 and 3 mu(B). In the case of the SO2 molecule with increasing of concentration, the band gap decreases from 1.2 eV to 1.1 and 0.9 eV. Obviously, our theoretical studies indicate that MSN monolayer-based sensor has a high application potential for O-2, NO, NO2 and SO2 detection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000675534500002 Publication Date 2021-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:180421 Serial 6970  
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Author Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 Type A1 Journal article
  Year 2022 Publication (up) Applied surface science Abbreviated Journal Appl Surf Sci  
  Volume 572 Issue Pages 151361  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000723664000006 Publication Date 2021-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.7  
  Call Number UA @ admin @ c:irua:184752 Serial 6993  
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Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Khatibani, A.B.; Ziabari, A. abdolahzadeh; Ghergherehchi, M.; Nedaei, S.; Shayesteh, S.F.; Gogova, D. pdf  url
doi  openurl
  Title Tunable electronic and magnetic properties of MoSi₂N₄ monolayer via vacancy defects, atomic adsorption and atomic doping Type A1 Journal article
  Year 2021 Publication (up) Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 559 Issue Pages 149862  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i. e., beneficial as spin filters and chemical sensors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000655645300001 Publication Date 2021-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:179098 Serial 7038  
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Author Benedet, M.; Andrea Rizzi, G.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Maccato, C.; Barreca, D. pdf  url
doi  openurl
  Title Functionalization of graphitic carbon nitride systems by cobalt and cobalt-iron oxides boosts solar water oxidation performances Type A1 Journal article
  Year 2023 Publication (up) Applied surface science Abbreviated Journal  
  Volume 618 Issue Pages 156652  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The ever-increasing energy demand from the world population has made the intensive use of fossil fuels an overarching threat to global environment and human health. An appealing alternative is offered by sunlight-assisted photoelectrochemical water splitting to yield carbon-free hydrogen fuel, but kinetic limitations associated to the oxygen evolution reaction (OER) render the development of cost-effective, eco-friendly and stable electrocatalysts an imperative issue. In the present work, OER catalysts based on graphitic carbon nitride (g-C3N4) were deposited on conducting glass substrates by a simple decantation procedure, followed by functionalization with low amounts of nanostructured CoO and CoFe2O4 by radio frequency (RF)-sputtering, and final annealing under inert atmosphere. A combination of advanced characterization tools was used to investigate the interplay between material features and electrochemical performances. The obtained results highlighted the formation of a p-n junction for the g-C3N4-CoO system, whereas a Z-scheme junction accounted for the remarkable performance enhancement yielded by g-C3N4-CoFe2O4. The intimate contact between the system components also afforded an improved electrocatalyst stability in comparison to various bare and functionalized g-C3N4-based systems. These findings emphasize the importance of tailoring g-C3N4 chemico-physical properties through the dispersion of complementary catalysts to fully exploit its applicative potential.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000950654300001 Publication Date 2023-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 11 Open Access OpenAccess  
  Notes The authors gratefully acknowledge financial support from CNR (Progetti di Ricerca @CNR – avviso 2020 – ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO – NANOMAT, INSTM21PDBARMAC – ATENA) and the European Union's Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3. The FWO-Hercules fund G0H4316N 'Direct electron detector for soft matter TEM' is also acknowledged. Many thanks are due to Prof. Luca Gavioli (Università Cattolica del Sacro Cuore, Brescia, Italy) and Dr. Riccardo Lorenzin (Department of Chemical Sciences, Padova University, Italy) for their invaluable technical support.; esteem3reported; esteem3TA Approved Most recent IF: 6.7; 2023 IF: 3.387  
  Call Number EMAT @ emat @c:irua:196150 Serial 7376  
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Author Siriwardane, E.M.D.; Karki, P.; Sevik, C.; Cakir, D. doi  openurl
  Title Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation Type A1 Journal article
  Year 2018 Publication (up) Applied surface science Abbreviated Journal  
  Volume 458 Issue Pages 762-768  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this study, we predicted two new stable metallic Re-C based monolayer structures with a rectangular (r-ReC2) and a hexagonal (h-Re2C) crystal symmetry using first-principle calculations based on density functional theory. Our results obtained from mechanical and phonon calculations and high-temperature molecular dynamic simulations clearly proved the stability of these two-dimensional (2D) crystals. Interestingly, Re-C monolayers in common transition metal carbide structures (i.e. MXenes) were found to be unstable, contrary to expectations. We found that the stable structures, i.e. r-ReC2 and h-Re2C, display superior mechanical properties over the well-known 2D materials. The Young's modulus for r-ReC2 and h-Re2C are extremely high and were calculated as 351 (1310) and 617 (804) N/m (GPa), respectively. Both materials have larger Young's modulus values than the most of the well-known 2D materials. We showed that the combination of the short strong directional p-d bonds, the high coordination number of atoms in the unit-cell and high valence electron density result in strong mechanical properties. Due to its crystal structure, the r-ReC2 monolayer has anisotropic mechanical properties and the crystallographic direction parallel to the C-2 dimers is stiffer compared to perpendicular direction due to strong covalent bonding within C-2 dimers. h-Re2C was derived from the corresponding bulk structure for which we determined the critical thickness for the dynamically stable bulk-derived monolayer structures. In addition, we also investigated the electronic of these two stable structures. Both exhibit metallic behavior and Re-5d orbitals dominate the states around the Fermi level. Due to their ultra high mechanical stability and stiffness, these novel Re-C monolayers can be exploited in various engineering applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000441400000088 Publication Date 2018-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193776 Serial 7875  
Permanent link to this record
 

 
Author Alloul, A.; Wille, M.; Lucenti, P.; Bossier, P.; Van Stappen, G.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Purple bacteria as added-value protein ingredient in shrimp feed : Penaeus vannamei growth performance, and tolerance against Vibrio and ammonia stress Type A1 Journal article
  Year 2021 Publication (up) Aquaculture Abbreviated Journal Aquaculture  
  Volume 530 Issue Pages 735788  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Aquafeeds contain protein ingredients such as fishmeal and soybean meal, yet their production puts pressure on the environment. Finding novel protein sources such as dried microbial biomass produced on recovered or renewable resources, so-called single-cell protein or microbial protein, can contribute to a more sustainable aquaculture industry. New microbial protein sources are emerging with photoheterotrophic grown purple non‑sulfur bacteria (PNSB) showing high potential, yet research of PNSB as added-value protein ingredient is limited. This research studied their use as a protein source for the white leg shrimp (Penaeus vannamei) and investigated the shrimp's tolerance against Vibrio and ammonia stress. A 28-day shrimp feeding trial was performed with a commercial formulation without PNSB as experimental control (diet i), two pure PNSB species, namely Rhodopseudomonas palustris (diets ii-iii), Rhodobacter capsulatus (diets iv-v) at two protein inclusion levels of 5 and 11 g PNSBprotein 100 g−1 feedprotein and a PNSB enriched culture at a protein inclusion level of 11 g PNSBprotein 100 g−1 feedprotein (diet vi). For the shrimp fed with Rb. capsulatus, 5–25% higher individual weights (p < .05) and better feed conversion ratios were observed relative to the commercial diet (1.3–1.4 vs. control 1.7 g feed g−1 biomass; p < .05). The diet containing Rps. palustris at 5 g PNSBprotein 100 g−1 feedprotein inclusion also showed higher individual weights (26%, p < .05) and a better feed conversion ratio compared to the commercial feed (1.3 vs. control 1.7 g feed g−1 biomass; p < .05). The challenge test subsequent to the feeding trial showed a higher tolerance against ammonia (3 mg N L−1) for shrimp fed with Rps. palustris (survival 63–75% vs. 8% commercial diet; p < .05). For a post-feeding challenge test with Vibrio parahaemolyticus TW01, mortality rates were equal among all treatments. Yet, in vitro tests in 96-Well plates and agar spot assays showed that the PNSB species (i) Rps. palustris, (ii) Rb. capsulatus, (iii) Rb. sphaeroides, (iv) Rhodospirillum rubrum and (v) Afifella marina suppressed the pathogens V. parahaemolyticus TW01 and V. campbellii LMG 21363. Overall, this study demonstrated the potential of PNSB as an added-value protein ingredient in shrimp nursery feed. This can contribute to a circular economy, as PNSB can be cultivated on recovered or renewable resources (e.g. wastewater).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582169700073 Publication Date 2020-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0044-8486 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.57 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.57  
  Call Number UA @ admin @ c:irua:170549 Serial 8429  
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Author Salvant, J.; Williams, J.; Ganio, M.; Casadio, F.; Daher, C.; Sutherland, K.; Monico, L.; Vanmeert, F.; De Meyer, S.; Janssens, K.; Cartwright, C.; Walton, M. pdf  doi
openurl 
  Title A Roman Egyptian Painting Workshop : technical investigation of the portraits from Tebtunis, Egypt Type A1 Journal article
  Year 2018 Publication (up) Archaeometry Abbreviated Journal Archaeometry  
  Volume 60 Issue 4 Pages 815-833  
  Keywords A1 Journal article; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Roman-period mummy portraits are considered to be ancient antecedents of modern portraiture. However, the techniques and materials used in their manufacture are not thoroughly understood. Analytical study of the pigments as well as the binding materials helps to address questions on what aspects of the painting practices originate from Pharaonic and/or Graeco-Roman traditions, and can aid in determining the provenance of the raw materials from potential locations across the ancient Mediterranean and European worlds. Here, one of the largest assemblages of mummy portraits to remain intact since their excavation from the site of Tebtunis in Egypt was examined using multiple analytical techniques to address how they were made. The archaeological evidence suggests that these portraits were products of a single workshop and, correspondingly, they are found to be made using similar techniques and materials: wax-based and lead white-rich paint combined with a variety of iron-based pigments (including hematite, goethite and jarosite), as well as Egyptian blue, minium, indigo and madder lake to create subtle variations and tones.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000438195100011 Publication Date 2017-11-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-813x; 1475-4754 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.47 Times cited 6 Open Access  
  Notes ; This collaborative initiative is part of NU-ACCESS's broad portfolio of activities, made possible by generous support of the Andrew W. Mellon Foundation as well as supplemental support provided by the Materials Research Center, the Office of the Vice President for Research, the McCormick School of Engineering and Applied Science and the Department of Materials Science and Engineering at Northwestern University. This work made use of the Keck-II facility of the NUANCE Center at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1121262) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Part of this research was carried out at the light source PETRA III at DESY, a member of the Helmholtz Association (HGF), and at ESRF (experiment no. HG-79). We are grateful to Marine Cotte and Wout De Nolf for their support during the experiment at beamline ID21. We would like to thank Gerald Falkenberg and Jan Garrevoet for their assistance in using beamline P06. ; Approved Most recent IF: 1.47  
  Call Number UA @ admin @ c:irua:152396 Serial 5455  
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Author Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. pdf  url
doi  openurl
  Title Transport of cystine across xC-antiporter Type A1 Journal article
  Year 2019 Publication (up) Archives of biochemistry and biophysics Abbreviated Journal Arch Biochem Biophys  
  Volume 664 Issue Pages 117-126  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Extracellular cystine (CYC) uptake by xC antiporter is important for the cell viability. Especially in cancer cells, the upregulation of xC activity is observed, which protects these cells from intracellular oxidative stress. Hence, inhibition of the CYC uptake may eventually lead to cancer cell death. Up to now, the molecular level mechanism of the CYC uptake by xC antiporter has not been studied in detail. In this study, we applied several different simulation techniques to investigate the transport of CYC through xCT, the light subunit of the xC antiporter, which is responsible for the CYC and glutamate translocation. Specifically, we studied the permeation of CYC across three model systems, i.e., outward facing (OF), occluded (OCC) and inward facing (IF) configurations of xCT. We also investigated the effect of mutation of Cys327 to Ala within xCT, which was also studied experimentally in literature. This allowed us to qualitatively compare our computation results with experimental observations, and thus, to validate our simulations. In summary, our simulations provide a molecular level mechanism of the transport of CYC across the xC antiporter, more specifically, which amino acid residues in the xC antiporter play a key role in the uptake, transport and release of CYC.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000461411200014 Publication Date 2019-02-07  
  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 3.165 Times cited 3 Open Access OpenAccess  
  Notes Research Foundation − FlandersResearch Foundation − Flanders (FWO), 1200216N 1200219N ; Hercules FoundationHercules Foundation; Flemish GovernmentFlemish Government (department EWI); UAUA; M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant numbers 1200216N and 1200219N. The computational work was carried out 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 UA. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. Approved Most recent IF: 3.165  
  Call Number PLASMANT @ plasmant @UA @ admin @ c:irua:158571 Serial 5183  
Permanent link to this record
 

 
Author Ghasemitarei, M.; Yusupov, M.; Razzokov, J.; Shokri, B.; Bogaerts, A. pdf  url
doi  openurl
  Title Effect of oxidative stress on cystine transportation by xC‾ antiporter Type A1 Journal article
  Year 2019 Publication (up) Archives of biochemistry and biophysics Abbreviated Journal Arch Biochem Biophys  
  Volume 674 Issue Pages 108114  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We performed computer simulations to investigate the effect of oxidation on the extracellular cystine (CYC) uptake by the xC− antiporter. The latter is important for killing of cancer cells. Specifically, applying molecular dynamics (MD) simulations we studied the transport of CYC across xCT, i.e., the light subunit of the xC− antiporter, in charge of bidirectional transport of CYC and glutamate. We considered the outward facing (OF) configuration of xCT, and to study the effect of oxidation, we modified the Cys327 residue, located in the vicinity of the extracellular milieu, to cysteic acid (CYO327). Our computational results showed that oxidation of Cys327 results in a free energy barrier for CYC translocation, thereby blocking the access of CYC to the substrate binding site of the OF system. The formation of the energy barrier was found to be due to the conformational changes in the channel. Analysis of the MD trajectories revealed that the reorganization of the side chains of the Tyr244 and CYO327 residues play a critical role in the OF channel blocking. Indeed, the calculated distance between Tyr244 and either Cys327 or CYO327 showed a narrowing of the channel after oxidation. The obtained free energy barrier for CYC translocation was found to be 33.9kJmol−1, indicating that oxidation of Cys327, by e.g., cold atmospheric plasma, is more effective in inhibiting the xC− antiporter than in the mutation of this amino acid to Ala (yielding a barrier of 32.4kJmol−1). The inhibition of the xC− antiporter may lead to Cys starvation in some cancer cells, eventually resulting in cancer cell death.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000525439700011 Publication Date 2019-09-23  
  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 3.165 Times cited Open Access  
  Notes Ministry of Science, Research and Technology of Iran; University of Antwerp; Research Foundation − Flanders, 1200219N ; Universiteit Antwerpen; Hercules Foundation; Flemish Government; UA; M. G. acknowledges funding from the Ministry of Science, Research and Technology of Iran and from the University of Antwerp in Belgium. M. Y. gratefully acknowledges financial support from the Research Foundation − Flanders (FWO), grant number 1200219N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Finally, we thank A. S. Mashayekh Esfehan and A. Mohseni for their important comments on the manuscript. Approved Most recent IF: 3.165  
  Call Number PLASMANT @ plasmant @c:irua:163474 Serial 5372  
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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 (up) 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 Most recent IF: 3.9; 2020 IF: 3.165  
  Call Number PLASMANT @ plasmant @c:irua:173861 Serial 6440  
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Author Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M. pdf  url
doi  openurl
  Title Distribution of lipid aldehydes in phase-separated membranes: A molecular dynamics study Type A1 Journal article
  Year 2022 Publication (up) Archives Of Biochemistry And Biophysics Abbreviated Journal Arch Biochem Biophys  
  Volume 717 Issue Pages 109136  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract It is well established that lipid aldehydes (LAs) are able to increase the permeability of cell membranes and induce their rupture. However, it is not yet clear how LAs are distributed in phase-separated membranes (PSMs), which are responsible for the transport of selected molecules and intracellular signaling. Thus, we investigate here the distribution of LAs in a PSM by coarse-grained molecular dynamics simulations. Our results reveal that LAs derived from mono-unsaturated lipids tend to accumulate at the interface between the liquid-ordered/liquiddisordered domains, whereas those derived from poly-unsaturated lipids remain in the liquid-disordered domain. These results are important for understanding the effects caused by oxidized lipids in membrane structure, properties and organization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000767632000001 Publication Date 2022-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-9861 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access OpenAccess  
  Notes We thank the University of Antwerp and the Coordination of Superior Level Staff Improvement (CAPES, Brazil) for the scholarship granted. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Approved Most recent IF: 3.9  
  Call Number PLASMANT @ plasmant @c:irua:185874 Serial 6905  
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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 (up) 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 Most recent IF: 3.9; 2023 IF: 3.165  
  Call Number UA @ admin @ c:irua:200282 Serial 9028  
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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 (up) 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 Most recent IF: 3.9; 2024 IF: 3.165  
  Call Number UA @ admin @ c:irua:202185 Serial 9046  
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Author Van Grieken, R.; Stranger, M. openurl 
  Title Fijn stof en pollutiegassen in de binnenlucht Type A2 Journal article
  Year 2006 Publication (up) ARGUS milieumagazine Abbreviated Journal  
  Volume 4 Issue 2 Pages 18  
  Keywords A2 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  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 1379-4957 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:58863 Serial 7967  
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Author Van der Stighelen, K.; Janssens, K.; van der Snickt, G.; Alfeld, M.; Van Beneden, B.; Demarsin, B.; Proesmans, M.; Marchal, G.; Dik, J. pdf  openurl
  Title Young Anthony van Dyck revisited : a multidisciplinary approach to a portrait once attributed to Peter Paul Rubens Type A3 Journal article
  Year 2014 Publication (up) Art matters : international journal for technical art history Abbreviated Journal  
  Volume 6 Issue Pages 21-35  
  Keywords A3 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Part of the collection of the Rubens House in Antwerp is a portrait of young Anthony van Dyck, alternatively attributed to Peter Paul Rubens and his pupil Anthony van Dyck. In order to reconstruct the genesis of the portrait in a manner that improves upon past investigations, a number of high-end technological methods, such as X-radiography, X-ray computer tomography, mammographic tomosynthesis and macroscopic X-ray fluorescence, have been employed to render the overpainted layers visible again. The results of the interdisciplinary examinations of the portrait of the youthful Van Dyck are impressive. The combined results allow the later additions to be peeled away until the original composition can be reached. Several pentimenti are easily discernible and refer to a rather immature hand that makes the authorship of Peter Paul Rubens very unlikely. What emerges is a portrait of an ambitious young man with a luxuriant head of hair and a slightly turned-up collar. The hat and cape were added later. The facial features are more recognisable and the execution of the bold curls points irrefutably in the direction of Anthony van Dyck as the author of his own portrait.  
  Address  
  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 UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:122562 Serial 5922  
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Author Cardinali, M.; De Ruggieri, M.B.; Leone, G.; Prohaska, W.; Alfeld, M.; Janssens, K. openurl 
  Title The rediscovered portrait of Prospero Farinacci by Caravaggio Type A1 Journal article
  Year 2016 Publication (up) Artibus et historiae : an art anthology Abbreviated Journal  
  Volume Issue 73 Pages 249-284  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Caravaggio's early production as a portrait painter is still the subject of research and a fount of enigmas. Despite the numerous citations in documents, only rarely have these been linked unequivocally to paintings known to date. This is also the case with the `portrait of Farinaccio criminalist painted on a head-size canvas believed to be by Michelangelo from Caravaggio', that was listed in the 1638 inventory of the Marquis Giustiniani and with `the speaker wearing a robe, painted by Caravaggio' on a head-size canvas, owned in 1652 by Caterina Campani, Onorio Longhi's wife. The present multidisciplinary research examines the rediscovery of the portrait of Prospero Farinacci by Caravaggio. The painting, undisclosed until now, hides an underlying female portrait. The authors investigate both compositions from a technical, iconographical and critical point of view, supporting Caravaggio's attribution. The technical researches allow cross-validation in the brushwork and materials of the picture, compared to Caravaggio's early painting technique and style. The portrait of Maffeo Barberini, recently re-ascribed to Caravaggio, shows a significant similarity, while the underlying woman of the retrieved painting closely resembles the gipsy of the Louvre Fortune Teller. In addition, a newly introduced and advanced imaging technique (MaXRF) has detected on the male portrait the feature of the lawyer's robe, which supports the identification with Prospero Farinacci. The intriguing topic of physiognomic accuracy versus stylizing tendency in Caravaggio's portraiture is considered with the aid of Giulio Mancini's observations. Besides, the possible interpretation of the underlying figure as a religious subject sheds a light on the obscure activity of the young Caravaggio in Lorenzo Carli's workshop, recently brought to scholars' attention by new documents and hypotheses.  
  Address  
  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 0391-9064 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:152697 Serial 5875  
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Author Ilgrande, C.; Mastroleo, F.; Christiaens, M.E.R.; Lindeboom, R.E.F.; Prat, D.; Van Hoey, O.; Ambrozova, I.; Coninx, I.; Heylen, W.; Pommerening-Roser, A.; Spieck, E.; Boon, N.; Vlaeminck, S.E.; Leys, N.; Clauwaert, P. pdf  url
doi  openurl
  Title Reactivation of microbial strains and synthetic communities after a spaceflight to the International Space Station : corroborating the feasibility of essential conversions in the MELiSSA Loop Type A1 Journal article
  Year 2019 Publication (up) Astrobiology Abbreviated Journal  
  Volume 19 Issue 9 Pages 1167-1176  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract To sustain human deep space exploration or extra-terrestrial settlements where no resupply from the Earth or other planets is possible, technologies for in situ food production, water, air, and waste recovery need to be developed. The Micro-Ecological Life Support System Alternative (MELiSSA) is such a Regenerative Life Support System (RLSS) and it builds on several bacterial bioprocesses. However, alterations in gravity, temperature, and radiation associated with the space environment can affect survival and functionality of the microorganisms. In this study, representative strains of different carbon and nitrogen metabolisms with application in the MELiSSA were selected for launch and Low Earth Orbit (LEO) exposure. An edible photoautotrophic strain (Arthrospira sp. PCC 8005), a photoheterotrophic strain (Rhodospirillum rubrum S1H), a ureolytic heterotrophic strain (Cupriavidus pinatubonensis 1245), and combinations of C. pinatubonensis 1245 and autotrophic ammonia and nitrite oxidizing strains (Nitrosomonas europaea ATCC19718, Nitrosomonas ureae Nm10, and Nitrobacter winogradskyi Nb255) were sent to the International Space Station (ISS) for 7 days. There, the samples were exposed to 2.8 mGy, a dose 140 times higher than on the Earth, and a temperature of 22 degrees C +/- 1 degrees C. On return to the Earth, the cultures were reactivated and their growth and activity were compared with terrestrial controls stored under refrigerated (5 degrees C +/- 2 degrees C) or room temperature (22 degrees C +/- 1 degrees C and 21 degrees C +/- 0 degrees C) conditions. Overall, no difference was observed between terrestrial and ISS samples. Most cultures presented lower cell viability after the test, regardless of the type of exposure, indicating a harsher effect of the storage and sample preparation than the spaceflight itself. Postmission analysis revealed the successful survival and proliferation of all cultures except for Arthrospira, which suffered from the premission depressurization test. These observations validate the possibility of launching, storing, and reactivating bacteria with essential functionalities for microbial bioprocesses in RLSS.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000475278300001 Publication Date 2019-06-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1557-8070; 1531-1074 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:161342 Serial 8456  
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Author Deutsch, F.; Stranger, M.; Kaplinskii, A.E.; Samek, L.; Joos, P.; Van Grieken, R. openurl 
  Title On the impact of precipitation amount on the concentration of elements and ions in urban aerosol particles Type A3 Journal article
  Year 2003 Publication (up) Atmospheric and oceanic optics Abbreviated Journal  
  Volume 16 Issue 10 Pages 850-855  
  Keywords A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  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 UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:43561 Serial 8330  
Permanent link to this record
 

 
Author Cataldo, M.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.; Van Grieken, R. url  doi
openurl 
  Title Mineral dust variability in central West Antarctica associated with ozone depletion Type A1 Journal article
  Year 2013 Publication (up) Atmospheric chemistry and physics Abbreviated Journal  
  Volume 13 Issue 4 Pages 2165-2175  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract We present here data of mineral dust variability retrieved from an ice core of the central West Antarctic, spanning the last five decades. Main evidence provided by the geochemical analysis is that northerly air mass incursions to the coring site, tracked by insoluble dust microparticles, have declined over the past 50 yr. This result contrasts with dust records from ice cores reported to the coastal West Antarctic that show increases since mid-20th century. We attribute this difference to regional climatic changes due to the ozone depletion and its implications to westerly winds. We found that the diameters of insoluble microparticles in the central West Antarctica ice core are significantly correlated with cyclone depth (energy) and wind intensity around Antarctica.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000315406600027 Publication Date 2013-02-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1680-7316; 1680-7324 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:105832 Serial 8250  
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Author Cataldo,.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.E.; Van Grieken, R. url  doi
openurl 
  Title Mineral dust variability in central West Antarctica associated with ozone depletion Type A1 Journal article
  Year 2012 Publication (up) Atmospheric chemistry and physics discussions Abbreviated Journal  
  Volume 12 Issue 5 Pages 12685-12714  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Here we show that mineral dust retrieved from an ice core in the central West Antarctic sector, spanning the last five decades, provides evidence that northerly air mass incursions into Antarctica, tracked by dust microparticles, have slightly declined. This result contrasts with dust in ice core records reported in West/coastal Antarctica, which show significant increases to the present day. We attribute that difference, in part, to changes in the regional climate regime triggered by the ozone depletion and its consequences for the polar vortex intensity. The vortex maintains the Antarctic central region relatively isolated from mid-latitude air mass incursions with implications to the intensification of the Westerlies and to a persistent positive phase of the Southern Annular Mode. We also show that variability of the diameter of insoluble microparticles in central West Antarctica can be modeled by linear/quadratic functions of both cyclone depth (energy) and wind intensity around Antarctica.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2012-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1680-7367 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102568 Serial 8251  
Permanent link to this record
 

 
Author Lauriks, T.; Longo, R.; Baetens, D.; Derudi, M.; Parente, A.; Bellemans, A.; van Beeck, J.; Denys, S. pdf  url
doi  openurl
  Title Application of improved CFD modeling for prediction and mitigation of traffic-related air pollution hotspots in a realistic urban street Type A1 Journal article
  Year 2021 Publication (up) Atmospheric Environment Abbreviated Journal Atmos Environ  
  Volume 246 Issue Pages 118127  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The correct prediction of air pollutants dispersed in urban areas is of paramount importance to safety, public health and a sustainable environment. Vehicular traffic is one of the main sources of nitrogen oxides (NO ) and particulate matter (PM), strongly related to human morbidity and mortality. In this study, the pollutant level and distribution in a section of one of the main road arteries of Antwerp (Belgium, Europe) are analyzed. The assessment is performed through computational fluid dynamics (CFD), acknowledged as a powerful tool to predict and study dispersion phenomena in complex atmospheric environments. The two main traffic lanes are modeled as emitting sources and the surrounding area is explicitly depicted. A Reynolds-averaged Navier–Stokes (RANS) approach specific for Atmospheric Boundary Layer (ABL) simulations is employed. After a validation on a wind tunnel urban canyon test case, the dispersion within the canopy of two relevant urban pollutants, nitrogen dioxide (NO) and particulate matter with an aerodynamic diameter smaller than 10 m (PM10), is studied. An experimental field campaign led to the availability of wind velocity and direction data, as well as PM10 concentrations in some key locations within the urban canyon. To accurately predict the concentration field, a relevant dispersion parameter, the turbulent Schmidt number, , is prescribed as a locally variable quantity. The pollutant distributions in the area of interest – exhibiting strong heterogeneity – are finally demonstrated, considering one of the most frequent and concerning wind directions. Possible local remedial measures are conceptualized, investigated and implemented and their outcomes are directly compared. A major goal is, by realistically reproducing the district of interest, to identify the locations inside this intricate urban canyon where the pollutants are stagnating and to analyze which solution acts as best mitigation measure. It is demonstrated that removal by electrostatic precipitation (ESP), an active measure, and by enhancing the dilution process through wind catchers, a passive measure, are effective for local pollutant removal in a realistic urban canyon. It is also demonstrated that the applied ABL methodology resolves some well known problems in ABL dispersion modeling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000613550100003 Publication Date 2020-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.629 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.629  
  Call Number UA @ admin @ c:irua:173917 Serial 7477  
Permanent link to this record
 

 
Author Malenky, B.; Van Grieken, R.; Van 't dack, L.; Luria, M. pdf  doi
openurl 
  Title Atmospheric trace element concentrations in Jerusalem, Israel Type A1 Journal article
  Year 1983 Publication (up) Atmospheric environment Abbreviated Journal  
  Volume 17 Issue 4 Pages 819-822  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Trace elements found in aerosols were monitored in Jerusalem during the 1979 winter season utilizing an X-ray fluoresence technique. Most of the particulate mass was associated with the natural soil elements, such as Ca, Fe, K and Ti. Only a small fraction of the mass was comprised of elements clearly emitted from human sources, e.g. Pb, Br, V, Ni and Zn. An excellent correspondence was found between the enrichment factors observed in this study and those postulated for other parts of the world. However, the concentration of Ca and Sr in the Jerusalem suspended dust is substantially higher when compared with world averages of urban aerosols.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1983QS29300018 Publication Date 2003-08-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:111438 Serial 7532  
Permanent link to this record
 

 
Author Górka, M.; Jedrysek, M.O.; Maj, J.; Worobiec, A.; Buczyńska, A.; Stefaniak, E.; Krata, A.; Van Grieken, R.; Zwozdziak, A.; Sówka, I.; Zwozdziak, J.; Lewicka-Szczebak, D. pdf  doi
openurl 
  Title Comparative assessment of air quality in two health resorts using carbon isotopes and palynological analyses Type A1 Journal article
  Year 2009 Publication (up) Atmospheric environment Abbreviated Journal  
  Volume 43 Issue 3 Pages 682-688  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract This paper describes results of applying the palynological and carbon isotopic analysis of the organic fraction of Total Suspended Particles (TSP) to discriminate distinct pollution sources and assess the anthropogenic impact for the investigated areas. The samples of atmospheric particles were collected in Czerniawa and Cieplice (two health resorts in Lower Silesia, SW Poland) twice a year in summer and winter season (from July 2006 to February 2008). The palynological spectra represent in the vast majority local plant communities without a noticeable contribution of long-transported plant particles. Palynological analysis revealed also differences in the specificity of the two sampling areas, i.e. the higher contribution of identified organic material in Czerniawa stands for more natural character of this site, but is also responsible for the higher allergic pressure when compared to Cieplice. The carbon isotopic composition of TSP varied seasonally (ä13C value from −27.09 in summer to −25.47 in winter). The increased ä13C value in winter (heating period) is most probably caused by uncontrolled contribution of coal soot. On the basis of isotopic mass balance the calculated contribution of anthropogenic organic particles in the atmosphere reached in winter season 72% in Czerniawa and 79% in Cieplice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000262737900024 Publication Date 2008-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:72492 Serial 7686  
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Author Rojas, C.M.; Van Grieken, R.E.; Laane, R.W. pdf  doi
openurl 
  Title Comparison of 3 dry deposition models applied to field-measurements in the Southern Bight of the North-Sea Type A1 Journal article
  Year 1993 Publication (up) Atmospheric environment Abbreviated Journal  
  Volume 27 Issue 3 Pages 363-370  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Dry deposition velocities have been calculated using three different approaches. Turbulent wind profile theory has been used to predict the drag coefficient, wind speed and friction velocity at 10 m height when the wind speed is measured at a higher altitude. The resulting parameters were introduced in a two-layer deposition model. The second approach was the well-known model of Slinn and Slinn (1980, Atmospheric Environment 14, 1013-1016), whereas the third corresponded to the model published by Williams (1982, Atmospheric Environment 16, 1933 1938). Results point to clear differences. However, in a field experiment carried out at the Southern Bight of the North Sea, all three approaches show relatively comparable results. The role played by the size distribution of atmospheric particulate matter is essential. In our case any of the three models could have given satisfactory outcomes taking into account the wide spread of the experimental results cited in the literature for the same airshed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1993KQ75200008 Publication Date 2003-08-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0004-6981 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:100018 Serial 7690  
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Author Buczyńska, A.J.; Krata, A.; Stranger, M.; Godoi, A.F.L.; Kontozova-Deutsch, V.; Bencs, L.; Naveau, I.; Roekens, E.; Van Grieken, R. pdf  doi
openurl 
  Title Atmospheric BTEX-concentrations in an area with intensive street traffic Type A1 Journal article
  Year 2009 Publication (up) Atmospheric environment : an international journal Abbreviated Journal  
  Volume 43 Issue 2 Pages 311-318  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The major threat to clean air in developed and industrializing countries is now posed by traffic emissions. The effects of traffic road modifications on the air quality are, however, rarely reported in the literature. The aim of this study was to determine the influence of the modernization and renovation of a traffic artery in the region of Mortsel (Antwerp, Belgium) on the concentration of volatile organic compounds such as: benzene, toluene, ethylbenzene and m-, p-, o-xylenes (BTEX). The original goal of the reconstruction works was to reduce the traffic lanes of one of the busiest streets in Antwerp, in order to discourage the road traffic and in consequence also to improve the air quality in this region. The average concentrations of BTEX before these works in 2003 were: 1.6, 7.0, 0.9, 2.3, and 0.9 ìg/m3, for benzene, toluene, ethylbenzene, m + p xylenes, and o-xylene, respectively. However, after the completion of the works, in 2005, they were slightly higher: 2.5, 9.5, 1.6, 3.4, and 1.3 ìg/m3, respectively. The scatter plots of benzene against toluene, ethylbenzene and xylenes in 2003 and 2005 showed very good correlations. This fact indicated that all of the measured compounds originated from the same source, namely the road traffic. Moreover, the data obtained from an air-monitoring station at less than 6 km distance from the sampling site (operated by the Flemish Environment Agency, and located in Borgerhout, Antwerp), confirmed the lack of influence of background concentrations of BTEX. The obtained results led to the conclusion that the reduction of the number of traffic lanes had apparently increased the traffic jams and also increased the emission from cars. Therefore, these modernization works had even a negative impact on the local concentration of traffic-related pollutants as BTEX.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000262956500011 Publication Date 2008-10-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:72925 Serial 7518  
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Author Bencs, L.; Krata, A.; Horemans, B.; Buczyńska, A.J.; Dirtu, A.C.; Godoi, A.F.L.; Godoi, R.H.M.; Potgieter-Vermaak, S.; Van Grieken, R. pdf  doi
openurl 
  Title Atmospheric nitrogen fluxes at the Belgian coast: 2004-2006 Type A1 Journal article
  Year 2009 Publication (up) Atmospheric environment : an international journal Abbreviated Journal  
  Volume 43 Issue 24 Pages 3786-3798  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Daily and seasonal variations in dry and wet atmospheric nitrogen fluxes have been studied during four campaigns between 2004 and 2006 at a coastal site of the Southern North Sea at De Haan (Belgium) located at coordinates of 51.1723° N and 3.0369° E. Concentrations of inorganic N-compounds were determined in the gaseous phase, size-segregated aerosol (coarse, medium, and fine), and rainwater samples. Dissolved organic nitrogen (DON) was quantified in rainwater. The daily variations in N-fluxes of compounds were evaluated with air-mass backward trajectories, classified into the main air-masses arriving at the sampling site (i.e., continental, North Sea, and Atlantic/UK/Channel). The three, non-episodic campaigns showed broadly consistent fluxes, but during the late summer campaign exceptionally high episodic N-deposition was observed. The average dry and wet fluxes for non-episodic campaigns amounted to 2.6 and 4.0 mg N m−2 d−1, respectively, whereas during the episodic late summer period these fluxes were as high as 5.2 and 6.2 mg N m−2 d−1, respectively. Non-episodic seasons/campaigns experienced average aerosol fluxes of 0.91.4 mg N m−2 d−1. Generally, the contribution of aerosol NH4+ was more significant in the medium and fine particulate fractions than that of aerosol NO3−, whereas the latter contributed more in the coarse fraction, especially in continental air-masses. During the dry mid-summer campaign, the DON contributed considerably (15%) to the total N-budget. Exceptionally high episodic aerosol-N inputs have been observed for the late summer campaign, with especially high deposition rates of 3.6 and 2.9 mg N m−2 d−1 for Atlantic/UK/Channel and North Sea-continental (mixed) air-masses, respectively. During this pollution episode, the flux of NH4+ was dominating in each aerosol fraction/air-mass, except for coarse continental aerosols. High deposition of gaseous-N was also observed in this campaign with an average total N-flux of 22.5-times higher than in other campaigns.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000268609000015 Publication Date 2009-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:77255 Serial 7527  
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