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Author Salbu, B.; Janssens, K.; Lind, O.C.; Proost, K.; Danesi, P.R. doi  openurl
  Title Oxidation states of uranium in DU particles from Kosovo Type A1 Journal article
  Year 2003 Publication Journal of environmental radioactivity Abbreviated Journal J Environ Radioactiv  
  Volume 64 Issue Pages 167-173  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000179855200009 Publication Date 2002-12-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0265-931x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.31 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.31; 2003 IF: 0.837  
  Call Number UA @ admin @ c:irua:39942 Serial 5766  
Permanent link to this record
 

 
Author Hoat, D.M.; Nguyen, D.K.; Bafekry, A.; Van On, V.; Ul Haq, B.; Rivas-Silva, J.F.; Cocoletzi, G.H. pdf  doi
openurl 
  Title Strain-driven modulation of the electronic, optical and thermoelectric properties of beta-antimonene monolayer : a hybrid functional study Type A1 Journal article
  Year 2021 Publication Materials Science In Semiconductor Processing Abbreviated Journal Mat Sci Semicon Proc  
  Volume 131 Issue Pages 105878  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electronic, optical, and thermoelectric properties of the beta-antimonene (beta-Sb) monolayer under the external biaxial strain effects are fully investigated through the first-principles calculations. The studied two-dimensional (2D) system is dynamically and structurally stable as examined via phonon spectrum and cohesive energy. At equilibrium, the beta-Sb single layer exhibits an indirect band gap of 1.310 and 1.786 eV as predicted by the PBE and HSE06 functionals, respectively. Applying external strain may induce the indirect-direct gap transition and significant variation of the energy gap. The calculated optical spectra indicate the enhancement of the optical absorption in a wide energy range from infrared to ultraviolet as induced by the applied strain. In the visible and ultraviolet regime, the absorption coefficient can reach values as large as 82.700 (10(4)/cm) and 91.458 (10(4)/cm). Results suggest that the thermoelectric performance may be improved considerably by applying proper external strain with the figure of merit reaching a value of 0.665. Our work demonstrates that the external biaxial strains may be an effective method to make the beta-Sb monolayer prospective 2D material for optoelectronic and thermoelectric applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000663422800002 Publication Date 2021-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1369-8001 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.359 Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: 2.359  
  Call Number UA @ admin @ c:irua:179565 Serial 7021  
Permanent link to this record
 

 
Author Cagno, S.; Lind, O.C.; Popic, J.M.; Skipperud, L.; De Nolf, W.; Nuyts, G.; Vanmeert, F.; Jaroszewicz, J.; Janssens, K.; Salbu, B. url  doi
openurl 
  Title Micro-analytical characterization of thorium-rich aggregates from Norwegian NORM sites (Fen Complex, Telemark) Type A1 Journal article
  Year 2020 Publication Journal Of Environmental Radioactivity Abbreviated Journal J Environ Radioactiv  
  Volume 219 Issue Pages 106273  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract In this study we performed microscopic characterization of mineral particles that were collected in the thorium-rich Fen Complex in Norway and identified and isolated based on autoradiography in function of their radioactivity. For this we combined information obtained with X-ray absorption mu-CT, mu-XRF and mu-XRD, both in bi- and in three-dimensional (tomographic) mode. We demonstrate that radionuclides and metals are heterogeneously distributed both within soil samples and within individual Th-enriched aggregates, which are characterised as low-density mineral bulk particles with high density material inclusions, where Th as well as several metals are highly concentrated. For these sites, it is important to take into account how these inhomogeneous distributions could affect the overall environmental behaviour of Th and progeny upon weathering due to human or environmental factors. Moreover, the estimated size of the Th-containing inclusions as determined in this work represents information of importance for the characterization of radionuclides and toxic metals exposure, as well as for assessing the viability of mining for Th and rare-earth metals in the Fen Complex and the associated environmental impact.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000535130500005 Publication Date 2020-04-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0265-931x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.3 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.3; 2020 IF: 2.31  
  Call Number UA @ admin @ c:irua:181195 Serial 8229  
Permanent link to this record
 

 
Author Lian, M.; Shi, P.; Zhang, L.; Yao, W.; Gielis, J.; Niklas, K.J. pdf  url
doi  openurl
  Title A generalized performance equation and its application in measuring the Gini index of leaf size inequality Type A1 Journal article
  Year 2023 Publication Trees: structure and function Abbreviated Journal  
  Volume 37 Issue Pages 1555-1565  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The goal of this study is to provide a rigorous tool to quantify the inequality of the leaf size distribution of an individual plant, thereby serving as a reference trait for quantifying plant adaptations to local environmental conditions. The tool to be presented and tested employs three components: (1) a performance equation (PE), which can produce flexible asymmetrical and symmetrical bell-shaped curves, (2) the Lorenz curve (i.e., the cumulative proportion of leaf size vs. the cumulative proportion of number of leaves), which is the basis for calculating, and (3) the Gini index, which measures the inequality of leaf size distribution. We sampled 12 individual plants of a dwarf bamboo and measured the area and dry mass of each leaf of each plant. We then developed a generalized performance equation (GPE) of which the PE is a special case and fitted the Lorenz curve to leaf size distribution using the GPE and PE. The GPE performed better than the PE in fitting the Lorenz curve. We compared the Gini index of leaf area distribution with that of leaf dry mass distribution and found that there was a significant difference between the two indices that might emerge from the scaling relationship between leaf dry mass and area. Nevertheless, there was a strong correlation between the two Gini indices (r2 = 0.9846). This study provides a promising tool based on the GPE for quantifying the inequality of leaf size distributions across individual plants and can be used to quantify plant adaptations to local environmental conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001069570200001 Publication Date 2023-08-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0931-1890; 1432-2285 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.3 Times cited Open Access Not_Open_Access: Available from 26.02.2024  
  Notes Approved (up) Most recent IF: 2.3; 2023 IF: 1.842  
  Call Number UA @ admin @ c:irua:199562 Serial 8874  
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Author Alloul, A.; Van Kampen, W.; Cerruti, M.; Wittouck, S.; Pabst, M.; Weissbrodt, D.G. url  doi
openurl 
  Title Exploring the role of antimicrobials in the selective growth of purple phototrophic bacteria through genome mining and agar spot assays Type A1 Journal article
  Year 2022 Publication Letters in applied microbiology Abbreviated Journal Lett Appl Microbiol  
  Volume 75 Issue 5 Pages 1275-1285  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Purple non-sulphur bacteria (PNSB) are an emerging group of microbes attractive for applied microbiology applications such as wastewater treatment, plant biostimulants, microbial protein, polyhydroxyalkanoates and H-2 production. These photoorganoheterotrophic microbes have the unique ability to grow selectively on organic carbon in anaerobic photobioreactors. This so-called selectivity implies that the microbial community will have a low diversity and a high abundance of a particular PNSB species. Recently, it has been shown that certain PNSB strains can produce antimicrobials, yet it remains unclear whether these contribute to competitive inhibition. This research aimed to understand which type of antimicrobial PNSB produce and identify whether these compounds contribute to their selective growth. Mining 166 publicly-available PNSB genomes using the computational tool BAGEL showed that 59% contained antimicrobial encoding regions, more specifically biosynthetic clusters of bacteriocins and non-ribosomal peptide synthetases. Inter- and intra-species inhibition was observed in agar spot assays for Rhodobacter blasticus EBR2 and Rhodopseudomonas palustris EBE1 with inhibition zones of, respectively, 5.1 and 1.5-5.7 mm. Peptidomic analysis detected a peptide fragment in the supernatant (SVLQLLR) that had a 100% percentage identity match with a known non-ribosomal peptide synthetase with antimicrobial activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000837055500001 Publication Date 2022-07-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0266-8254 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.4 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.4  
  Call Number UA @ admin @ c:irua:189519 Serial 7162  
Permanent link to this record
 

 
Author Derks, K.; van der Snickt, G.; Legrand, S.; van der Stighelen, K.; Janssens, K. url  doi
openurl 
  Title The dark halo technique in the oeuvre of Michael Sweerts and other Flemish and Dutch baroque painters. A 17th c. empirical solution to mitigate the optical 'simultaneous contrast' effect? Type A1 Journal article
  Year 2022 Publication Heritage science Abbreviated Journal  
  Volume 10 Issue 1 Pages 5  
  Keywords A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract Although the topic is rarely addressed in literature, a significant number of baroque paintings exhibit dark, halo-like shapes around the contours of the dramatis personae. Close examination of both finished and unfinished works suggests that this intriguing feature was a practical tool that helped the artist in the early painting stages. When applying the final brushwork, the halo lost its function, with some artists undertaking efforts to hide it. Although their visibility might not have been intended by the artists, today this dark paint beneath the surface is partially visible through the upper paint layers. Moreover, the disclosure of many halos using infrared photography (IRP), infrared reflectography (IRR) and macro X-ray fluorescence imaging (MA-XRF), additional to those that can be observed visually, suggests that this was a common and established element of 17th-century painting practice in Western Europe. Building on an existing hypothesis, we argue that halos can be considered as a solution to an optical problem that arose when baroque painters reversed the traditional, 15th- and 16th-century painting sequence of working from background to foreground. Instead, they started with the dominant parts of a composition, such as the face of a sitter. In that case, a temporary halo can provide the essential tonal reference to anticipate the chromatic impact of the final dark colored background on the adjacent delicate carnations. In particular, we attempt to clarify the prevalence of dark halos as a response to optical effects such as 'simultaneous contrast' and 'the crispening effect', described in literature only centuries later. As such, the recently termed 'ring condition' can be seen as the present-day equivalent of the 'halo solution' that was seemingly empirically or intuitively developed by 17th-century artists. Modern studies in visual perception proves that by laying a black ring around a target color, the optical impact of a surrounding color can be efficiently neutralized. Finally, by delving into works by Michael Sweerts, it becomes clear that resourceful artists might have adapted the halo technique and the underlying principles to their individual challenges, such as dealing with differently colored grounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000739965700001 Publication Date 2022-01-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.5  
  Call Number UA @ admin @ c:irua:185458 Serial 7217  
Permanent link to this record
 

 
Author Maso, L.; Trande, M.; Liberi, S.; Moro, G.; Daems, E.; Linciano, S.; Sobott, F.; Covaceuszach, S.; Cassetta, A.; Fasolato, S.; Moretto, L.M.; De Wael, K.; Cendron, L.; Angelini, A. pdf  doi
openurl 
  Title Unveiling the binding mode of perfluorooctanoic acid to human serum albumin Type A1 Journal article
  Year 2021 Publication Protein Science Abbreviated Journal Protein Sci  
  Volume 30 Issue 4 Pages 830-841  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Perfluorooctanoic acid (PFOA) is a toxic compound that is absorbed and distributed throughout the body by noncovalent binding to serum proteins such as human serum albumin (hSA). Though the interaction between PFOA and hSA has been already assessed using various analytical techniques, a high resolution and detailed analysis of the binding mode is still lacking. We report here the crystal structure of hSA in complex with PFOA and a medium-chain saturated fatty acid (FA). A total of eight distinct binding sites, four occupied by PFOAs and four by FAs, have been identified. In solution binding studies confirmed the 4:1 PFOA-hSA stoichiometry and revealed the presence of one high and three low affinity binding sites. Competition experiments with known hSA-binding drugs allowed locating the high affinity binding site in sub-domain IIIA. The elucidation of the molecular basis of the interaction between PFOA and hSA might provide not only a better assessment of the absorption and elimination mechanisms of these compounds in vivo but also have implications for the development of novel molecular receptors for diagnostic and biotechnological applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000625392600001 Publication Date 2021-02-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0961-8368 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.523 Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: 2.523  
  Call Number UA @ admin @ c:irua:176725 Serial 8714  
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 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 (up) Most recent IF: 2.57  
  Call Number UA @ admin @ c:irua:170549 Serial 8429  
Permanent link to this record
 

 
Author Wang, W.; Butterworth, T.; Bogaerts, A. pdf  doi
openurl 
  Title Plasma propagation in a single bead DBD reactor at different dielectric constants : insights from fluid modelling Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 21 Pages 214004  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Packed bed dielectric barrier discharge (PB-DBD) plasma reactors are very promising for various plasma catalysis applications, but the exact mechanisms of plasma-catalyst interaction are far from understood, because the plasma discharge and catalyst/packing properties are mutually dependent. To better understand the effect of packing dielectric material on the electrical plasma properties, we study here a single bead DBD plasma reactor operating in dry air, with beads of different dielectric constant and for different applied voltages, by means of fluid modelling validated by optical imaging experiments. Our study reveals that the plasma in the single bead DBD reactor can manifest itself in two different modalities, i.e. (a) polar discharges at the bead poles in contact with the electrodes, and (b) a streamer discharge caused by surface ionization waves, which bridges the gas gap. Beads with high dielectric constant result in localised electric field enhancement and hence yield a reduction of the applied voltage required for plasma production. At low applied voltage, the discharge appears as polar discharges between the bead and the electrodes, and upon higher voltage it undergoes a transition into a bridging streamer discharge. The transition voltage to the streamer mode rises for beads with higher dielectric constant. These observations are important for plasma catalysis applications. A higher dielectric constant yields a higher electric field and thus higher average electron energy and density, giving rise to more reactive species, but it also yields a confined discharge near the contact points of packing beads, limiting the interaction area between the catalyst and the active plasma species. In addition, our model reveals that the dielectric bead behaves as a capacitor and traps charges, which can explain the significant occurrence of partial discharging in PB-DBDs and non-parallelogram shaped Lissajous plots. Hence, equivalent circuit modelling of PB-DBDs should take into account the role of packing beads in charge trapping as a capacitor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626451000001 Publication Date 2021-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:177571 Serial 6772  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Hieu, N.N.; Ghergherehchi, M.; Feghhi, S.A.H.; Gogova, D. pdf  url
doi  openurl
  Title Prediction of two-dimensional bismuth-based chalcogenides Bi₂X₃(X = S, Se, Te) monolayers with orthorhombic structure : a first-principles study Type A1 Journal article
  Year 2021 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys  
  Volume 54 Issue 39 Pages 395103  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculation is a very powerful tool for discovery and design of novel two-dimensional materials with unique properties needed for the next generation technology. Motivated by the successful preparation of Bi2S3 nanosheets with orthorhombic structure in the last year, herein we gain a deep theoretical insight into the crystal structure, stability, electronic and optical properties of Bi2X3 (X = S, Se, Te) monolayers of orthorhombic phase employing the first-principles calculations. The Molecular dynamics study, phonon spectra, criteria for elastic stability, and cohesive energy results confirm the desired stability of the Bi2X3 monolayers. From S, to Se and Te, the work function value as well as stability of the systems decrease due to the decline in electronegativity. Mechanical properties study reveals that Bi2X3 monolayers have brittle nature. The electronic bandgap values of Bi2S3, Bi2Se3 and Bi2Te3 monolayers are predicted by the HSE06 functional to be 2.05, 1.20 and 1.16 eV, respectively. By assessing the optical properties, it has been found that Bi2X3 monolayers can absorb ultraviolet light. The high in-plane optical anisotropy offers an additional degree of freedom in the design of optical devices. The properties revealed in our survey will stimulate and inspire the search for new approaches of orthorhombic Bi2X3 (X = S, Se, Te) monolayers synthesis and properties manipulation for fabrication of novel nanoelectronic and optoelectronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000674464700001 Publication Date 2021-07-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.588  
  Call Number UA @ admin @ c:irua:179863 Serial 7014  
Permanent link to this record
 

 
Author Eliaerts, J.; Meert, N.; Dardenne, P.; Baeten, V.; Pierna, J.-A.F.; Van Durme, F.; De Wael, K.; Samyn, N. doi  openurl
  Title Comparison of spectroscopic techniques combined with chemometrics for cocaine powder analysis Type A1 Journal article
  Year 2020 Publication Journal Of Analytical Toxicology Abbreviated Journal J Anal Toxicol  
  Volume 44 Issue 8 Pages 851-860  
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Spectroscopic techniques combined with chemometrics are a promising tool for analysis of seized drug powders. In this study, the performance of three spectroscopic techniques [Mid-InfraRed (MIR), Raman and Near-InfraRed (NIR)] was compared. In total, 364 seized powders were analyzed and consisted of 276 cocaine powders (with concentrations ranging from 4 to 99 w%) and 88 powders without cocaine. A classification model (using Support Vector Machines [SVM] discriminant analysis) and a quantification model (using SVM regression) were constructed with each spectral dataset in order to discriminate cocaine powders from other powders and quantify cocaine in powders classified as cocaine positive. The performances of the models were compared with gas chromatography coupled with mass spectrometry (GC-MS) and gas chromatography with flame-ionization detection (GC-FID). Different evaluation criteria were used: number of false negatives (FNs), number of false positives (FPs), accuracy, root mean square error of cross-validation (RMSECV) and determination coefficients (R-2). Ten colored powders were excluded from the classification data set due to fluorescence background observed in Raman spectra. For the classification, the best accuracy (99.7%) was obtained with MIR spectra. With Raman and NIR spectra, the accuracy was 99.5% and 98.9%, respectively. For the quantification, the best results were obtained with NIR spectra. The cocaine content was determined with a RMSECV of 3.79% and a R-2 of 0.97. The performance of MIR and Raman to predict cocaine concentrations was lower than NIR, with RMSECV of 6.76% and 6.79%, respectively and both with a R-2 of 0.90. The three spectroscopic techniques can be applied for both classification and quantification of cocaine, but some differences in performance were detected. The best classification was obtained with MIR spectra. For quantification, however, the RMSECV of MIR and Raman was twice as high in comparison with NIR. Spectroscopic techniques combined with chemometrics can reduce the workload for confirmation analysis (e.g., chromatography based) and therefore save time and resources.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000606735000011 Publication Date 2020-08-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0146-4760; 1945-2403 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: 2.409  
  Call Number UA @ admin @ c:irua:175117 Serial 7697  
Permanent link to this record
 

 
Author Simonsen, K.P.; Poulsen, J.N.; Vanmeert, F.; Ryhl-Svendsen, M.; Bendix, J.; Sanyova, J.; Janssens, K.; Mederos-Henry, F. url  doi
openurl 
  Title Formation of zinc oxalate from zinc white in various oil binding media: the influence of atmospheric carbon dioxide by reaction with 13CO2 Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 126  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The formation of metal oxalates in paintings has recently gained a great deal of interest within the field of heritage science as several types of oxalate compounds have been identified in oil paintings. The present work investigates the formation of metal oxalates in linseed oil in the presence of the artists' pigments zinc white, calcite, lead white, zinc yellow, chrome yellow, cadmium yellow, cobalt violet, and verdigris. The oil paint films were artificially photo-aged by exposure to UVA light at low and high relative humidity, and afterwards analysed by attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR). The results showed that, compared to the other pigments investigated, zinc white is especially prone to metal oxalate formation and that high humidity is a crucial factor in this process. Consequently, the reactivity and photo-aging of ZnO in various oil binding media was investigated further under simulated solar radiation and at high relative humidity levels. ATR-FTIR showed that zinc oxalate is formed in all oil binding media while X-ray powder diffraction (PXRD) revealed it was mainly present in an amorphous state. To examine whether atmospheric CO2(g) has any influence on the formation of zinc oxalate, experiments with isotopically enriched (CO2(g))-C-13 were performed. Based on ATR-FTIR measurements, neither (ZnC2O4)-C-13 nor (ZnCO3)-C-13 were formed which suggests that the carbon source for the oxalate formation is most likely the paint itself (and its oil component) and not the surrounding atmosphere.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000596527000001 Publication Date 2020-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:174381 Serial 7979  
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Author Alvarez-Martin, A.; George, J.; Kaplan, E.; Osmond, L.; Bright, L.; Newsome, G.A.; Kaczkowski, R.; Vanmeert, F.; Kavich, G.; Heald, S. url  doi
openurl 
  Title Identifying VOCs in exhibition cases and efflorescence on museum objects exhibited at Smithsonian’s National Museum of the American Indian-New York Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 115  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Two mass spectrometry (MS) methods, solid-phase microextraction gas chromatography (SPME–GC–MS) and direct analysis in real time (DART-MS), have been explored to investigate widespread efflorescence observed on exhibited objects at the Smithsonian’s National Museum of the American Indian in New York (NMAI-NY). Both methods show great potential, in terms of speed of analysis and level of information, for identifying the organic component of the efflorescence as 2,2,6,6-tetramethyl-4-piperidinol (TMP-ol) emitted by the structural adhesive (Terostat MS 937) used for exhibit case construction. The utility of DART-MS was proven by detecting the presence of TMP-ol in construction materials in a fraction of the time and effort required for SPME–GC–MS analysis. In parallel, an unobtrusive SPME sampling strategy was used to detect volatile organic compounds (VOCs) accumulated in the exhibition cases. This sampling technique can be performed by collections and conservation staff at the museum and shipped to an off-site laboratory for analysis. This broadens the accessibility of MS techniques to museums without access to instrumentation or in-house analysis capabilities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000589423700001 Publication Date 2020-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:181925 Serial 8056  
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Author van Loon, A.; Noble, P.; de Man, D.; Alfeld, M.; Callewaert, T.; van der Snickt, G.; Janssens, K.; Dik, J. url  doi
openurl 
  Title The role of smalt in complex pigment mixtures in Rembrandt'sHomer1663: combining MA-XRF imaging, microanalysis, paint reconstructions and OCT Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 90-19  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract As part of the NWO Science4ArtsREVISRembrandtproject (2012-2018), novel chemical imaging techniques were developed and applied to the study of Rembrandt's late experimental painting technique (1651-1669). One of the unique features in his late paintings is his abundant use of smalt: a blue cobalt glass pigment that he often combined with organic lake pigments, earth pigments and blacks. Since most of these smalt-containing paints have discolored over time, we wanted to find out more about how these paintings may have originally looked, and what the role of smalt was in his paint. This paper reports on the use of smalt in complex pigment mixtures in Rembrandt'sHomer(1663), Mauritshuis, The Hague. Macroscopic X-ray fluorescence imaging (MA-XRF) assisted by computational analysis, in combination with SEM-EDX analysis of paint cross-sections, provides new information about the distribution and composition of the smalt paints in the painting. Paint reconstructions were carried out to investigate the effect of different percentages of smalt on the overall color, the drying properties, translucency and texture of the paint. Results show that the influence of (the originally blue) smalt on the intended color of the paint of theHomeris minimal. However, in mixtures with high percentages of smalt, or when combined with more transparent pigments, it was concluded that the smalt did produce a cooler and darker paint. It was also found that the admixture of opaque pigments reduced the translucent character of the smalt. The drying tests show that the paints with (cobalt-containing) smalt dried five times faster compared to those with glass (without cobalt). Most significantly, the texture of the paint was strongly influenced by adding smalt, creating a more irregular surface topography with clearly pronounced brushstrokes. Optical coherence tomography (OCT) was used as an additional tool to reveal differences in translucency and texture between the different paint reconstructions. In conclusion, this study confirmed earlier assumptions that Rembrandt used substantial amounts of smalt in his late paintings, not for its blue color, but to give volume and texture to his paints, to deepen their colors and to make them dry faster.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000565893700001 Publication Date 2020-09-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:171995 Serial 8659  
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Author Ortega Saez, N.; Arno, R.; Marchetti, A.; Cauberghs, S.; Janssens, K.; Van der Snickt, G.; Al-Emam, E. url  doi
openurl 
  Title Towards a novel strategy for soot removal from water-soluble materials : the synergetic effect of hydrogels and cyclomethicone on gelatine emulsion-based photographs Type A1 Journal article
  Year 2023 Publication Heritage science Abbreviated Journal  
  Volume 11 Issue 1 Pages 78-17  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract Gels are a popular cleaning method for paper conservators and a lot of research has been done concerning gel cleaning of paper objects over the last 15 years. Despite the close interconnection between the conservation fields of paper and photographic material, research on using gels for cleaning photographs is very scarce. However, gels can provide an excellent cleaning method for photographic material. Cleaning silver gelatine prints with aqueous solvents is very complex due to the hydrophilic properties and fragility of the gelatine layer which makes mechanical cleaning difficult. The properties of gels ensure better control over the flow and evaporation of the solvent, facilitating the cleaning process. This study is the first insight into the viability of using gellan gum gel and polyvinyl acetate-borax (PVAc-borax) gel to clean contaminants from the surface of silver gelatine photographs. It is based on self-made samples that were artificially aged and contaminated with soot. Water, ethanol (EtOH), and Kodak Photo-flo were studied as solvents to remove the soot from the silver gelatine-based prints. These solvents were loaded into the aforementioned gels and applied to the samples in two different methods. These gel cleaning methods were subsequently compared with traditional cleaning methods. In addition, the usage of cyclomethicone D4 as a protective mask for the gelatine layer was studied. Measuring methods used to evaluate the cleaning were visual comparison, microscopic observation, and densitometry. ATR-FTIR measurements were also conducted to investigate potential side-effects of the cleaning methods on the prints, such as unwanted chemical transformations or the presence of gel residues after the treatments. Most of the gel cleaning methods within this study proved to be inadequate, with the exception of the gellan gum gel loaded with 30% EtOH. It was used as a granulated gel applied mechanically on a print saturated with cyclomethicone (octamethylcyclotetrasiloxane D4). Cyclomethicone proved to be a very effective protective barrier for the water-sensitive gelatine layer with minimal reduction in cleaning effectiveness.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000970139500001 Publication Date 2023-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.5 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.5; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:196445 Serial 8945  
Permanent link to this record
 

 
Author De Keyser, N.; Broers, F.T.H.; Vanmeert, F.; van Loon, A.; Gabrieli, F.; De Meyer, S.; Gestels, A.; Gonzalez, V.; Hermens, E.; Noble, P.; Meirer, F.; Janssens, K.; Keune, K. url  doi
openurl 
  Title Discovery of pararealgar and semi-amorphous pararealgar in Rembrandt's The Night Watch : analytical study and historical contextualization Type A1 Journal article
  Year 2024 Publication Heritage science Abbreviated Journal  
  Volume 12 Issue 1 Pages 237-20  
  Keywords A1 Journal article; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract This article reports on the discovery of pararealgar and semi-amorphous pararealgar in Rembrandt's masterpiece The Night Watch. A large-scale research project named Operation Night Watch was started in 2019. A variety of non-invasive analytical imaging techniques, together with paint sample research, has provided new information about Rembrandt's pigments, materials, and techniques as well as the current condition of the painting. Macroscopic X-ray fluorescence, macroscopic X-ray powder diffraction and reflectance imaging spectroscopy identified the presence of arsenic sulfide pigments and degradation products of these pigments in the doublet sleeves and embroidered buff coat worn by Lieutenant Willem van Ruytenburch (central figure to the right of Captain Frans Banninck Cocq). Examination by light microscopy of two paint samples taken from this area shows a mixture of large sharp-edged tabular yellow and orange to red pigment particles, and scanning electron microscopy-energy dispersive X-ray analysis identified these particles as containing arsenic and sulfur. Using micro-Raman spectroscopy, the yellow particles were identified as pararealgar, and the orange to red particles as semi-amorphous pararealgar. Synchrotron-based X-ray diffraction allowed visualization of the presence of multiple degradation products associated with arsenic sulfides throughout the paint layer. The discovery of pararealgar and semi-amorphous pararealgar is a new addition to Rembrandt's pigment palette. To contextualize our findings and to hypothesize why, how, and where Rembrandt obtained the pigments, we studied related historical sources. A comprehensive review of historical sources gives insight into the types of artificial arsenic sulfides that were available and suggests that a broader range of arsenic pigments could have been available in Amsterdam in the seventeenth century than previously thought. This is supported by the use of a very similar mixture of pigments by Willem Kalf (1619-1693), a contemporary artist based in Amsterdam. Together with the condition of the particles in the paint cross sections, this brings us to the conclusion that Rembrandt intentionally used pararealgar and semi-amorphous pararealgar, together with lead-tin yellow and vermilion, to create an orange paint.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001270 Publication Date 2024-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:207665 Serial 9284  
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Author Kirkpatrick, S.; Sanyova, J.; Janssens, K.; van der Snickt, G. url  doi
openurl 
  Title The synergistic influence of metal cations on the drying and viscosity of linseed oil assessed by means of model samples containing synthesised metal carboxylates Type A1 Journal article
  Year 2024 Publication Heritage science Abbreviated Journal  
  Volume 12 Issue 1 Pages 209-215  
  Keywords A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract The recent multi-analytical study carried out on the Van Eyck's Ghent Altarpiece showed the simultaneous presence of several kinds of metal carboxylates in oil-rich glaze layers. This outcome raised the question whether these carboxylates had already formed during the preparation of the oil binder by the artists. In the case of early-stage formation, they may have had an impact on the drying rate of the resulting oil, as well as on its handling properties. This hypothesis was investigated using a model system of in-house-prepared linseed oil containing incremental concentrations (2-5-10 wt.%) of relevant metal carboxylates (i.e. Ca-, Zn-, Cu-, and Pb oleates and stearates). This paper describes the influence of these type of molecules on the drying rate of linseed oil and, to an extent, on its viscosity. The drying time of the linseed oil, to which one or more metal carboxylates were added, was measured with a drying recorder while the viscosity was assessed with a rheometer. When introduced together, some of these metal carboxylates act in synergy to shorten the drying time with respect to the situation when the same metal carboxylates were added separately to linseed oil. Mixtures of Ca- and Zn-oleates proved to have a larger effect than other binary combinations. Addition of two metal oleates (combination of Ca/Zn/Cu/Pb) reduced the drying time even more. On the other hand, specific combinations of three metal stearates and/or oleates also demonstrated a significant synergistic effect towards increasing the viscosity of the binder. Especially combinations of Ca/Zn/Cu and Ca/Zn/Pb stearates and oleates gave rise to the highest level of linseed oil viscosity increase, when compared to the situation in which the same metal carboxylates were added separately.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001249638200003 Publication Date 2024-06-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.5 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.5; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:206484 Serial 9322  
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Author Aerts, A.; Janssens, K.; Adams, F. doi  openurl
  Title Trace-level microanalysis of Roman glass from Khirbet Qumran, Israel Type A1 Journal article
  Year 1999 Publication Journal of archaeological science Abbreviated Journal J Archaeol Sci  
  Volume 26 Issue Pages 883-891  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000082470800005 Publication Date 2002-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0305-4403 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.602 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.602; 1999 IF: NA  
  Call Number UA @ admin @ c:irua:25299 Serial 5881  
Permanent link to this record
 

 
Author Akgenc, B.; Sarikurt, S.; Yagmurcukardes, M.; Ersan, F. pdf  url
doi  openurl
  Title Aluminum and lithium sulfur batteries : a review of recent progress and future directions Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 25 Pages 253002  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Advanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000655281200001 Publication Date 2021-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:179034 Serial 6971  
Permanent link to this record
 

 
Author Kocabas, T.; Cakir, D.; Sevik, C. doi  openurl
  Title First-principles discovery of stable two-dimensional materials with high-level piezoelectric response Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 11 Pages 115705  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000605852800001 Publication Date 2020-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:193761 Serial 7971  
Permanent link to this record
 

 
Author Bulut, P.; Beceren, B.; Yildirim, S.; Sevik, C.; Gurel, T. doi  openurl
  Title Promising room temperature thermoelectric conversion efficiency of zinc-blende AgI from first principles Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 1 Pages 015501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The theoretical investigation on structural, vibrational, and electronic properties of zinc-blende (ZB) AgI were carried out employing first principles density functional theory calculations. Thermoelectric properties then were predicted through semi-classical Boltzmann transport equations within the constant relaxation time approximation. Equilibrium lattice parameter, bulk modulus, elastic constants, and vibrational properties were calculated by using generalized gradient approximation. Calculated properties are in good agreement with available experimental values. Electronic and thermoelectric properties were investigated both with and without considering spin-orbit coupling (SOC) effect which is found to have a strong influence on p-type Seebeck coefficient as well as the power factor of the ZB-AgI. By inclusion of SOC, a reduction of the band-gap and p-type Seebeck coefficients as well as the power factor was found which is the indication of that spin-orbit interaction cannot be ignored for p-type thermoelectric properties of the ZB-AgI. By using deformation potential theory for electronic relaxation time and experimentally predicted lattice thermal conductivity, we obtained aZTvalue 1.69 (0.89) at 400 K for n-type (p-type) carrier concentration of 1.5 x 10(18)(4.6 x10(19)) cm(-3)that makes ZB-AgI as a promising room temperature thermoelectric material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000577217600001 Publication Date 2020-09-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.649 Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:193762 Serial 8425  
Permanent link to this record
 

 
Author Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. url  doi
openurl 
  Title Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies Type A1 Journal article
  Year 2021 Publication Materials Abbreviated Journal Materials  
  Volume 14 Issue 15 Pages 4167  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We study the magnetic properties of platinum diselenide (PtSe2) intercalated with Ti, V, Cr, and Mn, using first-principle density functional theory (DFT) calculations and Monte Carlo (MC) simulations. First, we present the equilibrium position of intercalants in PtSe2 obtained from the DFT calculations. Next, we present the magnetic groundstates for each of the intercalants in PtSe2 along with their critical temperature. We show that Ti intercalants result in an in-plane AFM and out-of-plane FM groundstate, whereas Mn intercalant results in in-plane FM and out-of-plane AFM. V intercalants result in an FM groundstate both in the in-plane and the out-of-plane direction, whereas Cr results in an AFM groundstate both in the in-plane and the out-of-plane direction. We find a critical temperature of <0.01 K, 111 K, 133 K, and 68 K for Ti, V, Cr, and Mn intercalants at a 7.5% intercalation, respectively. In the presence of Pt vacancies, we obtain critical temperatures of 63 K, 32 K, 221 K, and 45 K for Ti, V, Cr, and Mn-intercalated PtSe2, respectively. We show that Pt vacancies can change the magnetic groundstate as well as the critical temperature of intercalated PtSe2, suggesting that the magnetic groundstate in intercalated PtSe2 can be controlled via defect engineering.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000682047700001 Publication Date 2021-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1996-1944 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.654 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.654  
  Call Number UA @ admin @ c:irua:180540 Serial 6966  
Permanent link to this record
 

 
Author Kummamuru, N.B.; Eimer, D.A.; Idris, Z. url  doi
openurl 
  Title Viscosity measurement and correlation of unloaded and CO₂-loaded aqueous solutions of N-methyldiethanolamine + 2-amino-2-methyl-1-propanol Type A1 Journal article
  Year 2020 Publication Journal Of Chemical And Engineering Data Abbreviated Journal J Chem Eng Data  
  Volume 65 Issue 6 Pages 3072-3078  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This work contributes to new and complementary experimental viscosity data for blended amine mixtures of aqueous N-methyldiethanolamine + 2-amino-2-methyl-1-propanol (MDEA + AMP) solutions with and without CO2 at different temperatures and mass fractions. For the unloaded MDEA + AMP solutions, measurements were conducted with total amine mass fractions ranging from 0.30 to 0.60. In the case of CO2-loaded aqueous MDEA + AMP solutions, experiments were performed at CO2 loadings ranging from 0.11 to 0.80. Proposed correlations were used to represent viscosity at the unloaded and CO2-loaded solutions within experimental uncertainty.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000541740100016 Publication Date 2020-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9568; 1520-5134 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.6 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.6; 2020 IF: 2.323  
  Call Number UA @ admin @ c:irua:180363 Serial 8737  
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Author Van Echelpoel, R.; Kranenburg, R.; van Asten, A.; De Wael, K. url  doi
openurl 
  Title Electrochemical detection of MDMA and 2C-B in ecstasy tablets using a selectivity enhancement strategy by in-situ derivatization Type A1 Journal article
  Year 2022 Publication Forensic chemistry Abbreviated Journal  
  Volume 27 Issue Pages 100383  
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Forensic drug laboratories are confronted with increasing amounts of drugs and a demand for faster results that are directly available on-site. In addition, the drug market is getting more complex with hundreds of new psychoactive substances (NPS) entering the market in recent years. Rapid and on-scene presumptive drug testing therefore faces a shift from manual colorimetric tests towards approaches that can detect a wider range of components and process results automatically. Electrochemical detection offers these desired characteristics, making it a suitable candidate for on-site drug detection. In this study, a two-step electrochemical sensor is introduced for the detection of MDMA and 2C-B. Firstly, a direct electrochemical analysis was performed to detect MDMA. Validation experiments on over 70 substances revealed that 2C-B was the only frequently encountered drug that gave a false positive result for MDMA in this first analysis. A second step using in-situ derivatization was subsequently introduced. To this end, formaldehyde was used for N-methylation of 2C-B thereby enhancing its electrochemical profile. The enriched electrochemical fingerprint in the second step allowed for clear differentiation between MDMA and 2C-B. The applicability of this approach was demonstrated with 71 ecstasy tablets seized by the Amsterdam Police. The MDMA/2C-B sensor correctly identified all 39 MDMA-containing tablets and 10 out of 11 tablets containing 2C-B. Most notably, correct results were also obtained for dark colored tablets in which both spectroscopic analysis and colorimetric tests failed due to obscured signals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000725708200002 Publication Date 2021-11-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2468-1709 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.7  
  Call Number UA @ admin @ c:irua:183340 Serial 7149  
Permanent link to this record
 

 
Author Li, Y.; Quinn, B.K.; Gielis, J.; Li, Y.; Shi, P. url  doi
openurl 
  Title Evidence that supertriangles exist in nature from the vertical projections of Koelreuteria paniculata fruit Type A1 Journal article
  Year 2022 Publication Symmetry Abbreviated Journal Symmetry-Basel  
  Volume 14 Issue 1 Pages 23  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Many natural radial symmetrical shapes (e.g., sea stars) follow the Gielis equation (GE) or its twin equation (TGE). A supertriangle (three triangles arranged around a central polygon) represents such a shape, but no study has tested whether natural shapes can be represented as/are supertriangles or whether the GE or TGE can describe their shape. We collected 100 pieces of Koelreuteria paniculata fruit, which have a supertriangular shape, extracted the boundary coordinates for their vertical projections, and then fitted them with the GE and TGE. The adjusted root mean square errors (RMSEadj) of the two equations were always less than 0.08, and >70% were less than 0.05. For 57/100 fruit projections, the GE had a lower RMSEadj than the TGE, although overall differences in the goodness of fit were non-significant. However, the TGE produces more symmetrical shapes than the GE as the two parameters controlling the extent of symmetry in it are approximately equal. This work demonstrates that natural supertriangles exist, validates the use of the GE and TGE to model their shapes, and suggests that different complex radially symmetrical shapes can be generated by the same equation, implying that different types of biological symmetry may result from the same biophysical mechanisms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000746030100001 Publication Date 2021-12-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.7  
  Call Number UA @ admin @ c:irua:186453 Serial 7158  
Permanent link to this record
 

 
Author Wang, L.; Ratkowsky, D.A.; Gielis, J.; Ricci, P.E.; Shi, P. url  doi
openurl 
  Title Effects of the numerical values of the parameters in the Gielis equation on its geometries Type A1 Journal article
  Year 2022 Publication Symmetry Abbreviated Journal Symmetry-Basel  
  Volume 14 Issue 12 Pages 2475-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The Lamé curve is an extension of an ellipse, the latter being a special case. Dr. Johan Gielis further extended the Lamé curve in the polar coordinate system by introducing additional parameters (n1, n2, n3; m): rφ=1Acosm4φn2+1Bsinm4φn3−1/n1, which can be applied to model natural geometries. Here, r is the polar radius corresponding to the polar angle φ; A, B, n1, n2 and n3 are parameters to be estimated; m is the positive real number that determines the number of angles of the Gielis curve. Most prior studies on the Gielis equation focused mainly on its applications. However, the Gielis equation can also generate a large number of shapes that are rotationally symmetric and axisymmetric when A = B and n2 = n3, interrelated with the parameter m, with the parameters n1 and n2 determining the shapes of the curves. In this paper, we prove the relationship between m and the rotational symmetry and axial symmetry of the Gielis curve from a theoretical point of view with the condition A = B, n2 = n3. We also set n1 and n2 to take negative real numbers rather than only taking positive real numbers, then classify the curves based on extremal properties of r(φ) at φ = 0, π/m when n1 and n2 are in different intervals, and analyze how n1, n2 precisely affect the shapes of Gielis curves.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000904525700001 Publication Date 2022-11-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.7 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.7  
  Call Number UA @ admin @ c:irua:191860 Serial 7301  
Permanent link to this record
 

 
Author Charalampopoulou, E.; Lambrinou, K.; Van der Donck, T.; Paladino, B.; Di Fonzo, F.; Azina, C.; Eklund, P.; Mraz, S.; Schneider, J.M.; Schryvers, D.; Delville, R. pdf  url
doi  openurl
  Title Early stages of dissolution corrosion in 316L and DIN 1.4970 austenitic stainless steels with and without anticorrosion coatings in static liquid lead-bismuth eutectic (LBE) at 500 degrees C Type A1 Journal article
  Year 2021 Publication Materials Characterization Abbreviated Journal Mater Charact  
  Volume 178 Issue Pages 111234  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This work addresses the early stages (<= 1000 h) of the dissolution corrosion behavior of 316L and DIN 1.4970 austenitic stainless steels in contact with oxygen-poor (C-O < 10(-8) mass%), static liquid lead-bismuth eutectic (LBE) at 500 degrees C for 600-1000 h. The objective of this study was to determine the relative early-stage resistance of the uncoated steels to dissolution corrosion and to assess the protectiveness of select candidate coatings (Cr2AlC, Al2O3, V2AlxCy). The simultaneous exposure of steels with intended differences in microstructure and thermomechanical state showed the effects of steel grain size, density of annealing/deformation twins, and secondary precipitates on the steel dissolution corrosion behavior. The findings of this study provide recommendations on steel manufacturing with the aim of using the steels to construct Gen-IV lead-cooled fast reactors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000752582700001 Publication Date 2021-06-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.714 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.714  
  Call Number UA @ admin @ c:irua:186509 Serial 7061  
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Author Castanheiro, A.; Wuyts, K.; Hofman, J.; Nuyts, G.; De Wael, K.; Samson, R. pdf  url
doi  openurl
  Title Morphological and elemental characterization of leaf-deposited particulate matter from different source types : a microscopic investigation Type A1 Journal article
  Year 2021 Publication Environmental Science And Pollution Research Abbreviated Journal Environ Sci Pollut R  
  Volume 28 Issue 20 Pages 25716-25732  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Particulate matter (PM) deposition on urban green enables the collection of particulate pollution from a diversity of contexts, and insight into the physico-chemical profiles of PM is key for identifying main polluting sources. This study reports on the morphological and elemental characterization of PM2-10 deposited on ivy leaves from five different environments (forest, rural, roadside, train, industry) in the region of Antwerp, Belgium. Ca. 40,000 leaf-deposited particles were thoroughly investigated by particle-based analysis using scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM/EDX) and their physico-chemical characteristics were explored for PM source apportionment purposes. The size distribution of all deposited particles was biased towards small-sized PM, with 32% of the particles smaller than 2.5 mu m (PM2.5) and median diameters of 2.80-3.09 mu m. The source type influenced both the particles' size and morphology (aspect ratio and shape), with roadside particles being overall the smallest in size and the most spherical. While forest and rural elemental profiles were associated with natural PM, the industry particles revealed the highest anthropogenic metal input. PM2-10 profiles for roadside and train sites were rather comparable and only distinguishable when evaluating the fine (2-2.5 mu m) and coarse (2.5-10 mu m) PM fractions separately, which enabled the identification of a larger contribution of combustion-derived particles (small, circular, Fe-enriched) at the roadside compared to the train. Random forest prediction model classified the source type correctly for 61-85% of the leaf-deposited PM. The still modest classification accuracy denotes the influence of regional background PM and demands for additional fingerprinting techniques to facilitate source apportionment. Nonetheless, the obtained results demonstrate the utility of leaf particle-based analysis to fingerprint and pinpoint source-specific PM, particularly when considering both the composition and size of leaf-deposited particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000609067300006 Publication Date 2021-01-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0944-1344; 1614-7499 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.741 Times cited Open Access OpenAccess  
  Notes Approved (up) Most recent IF: 2.741  
  Call Number UA @ admin @ c:irua:176082 Serial 8282  
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Author Huang, W.; Li, Y.; Niklas, K.J.; Gielis, J.; Ding, Y.; Cao, L.; Shi, P. url  doi
openurl 
  Title A superellipse with deformation and its application in describing the cross-sectional shapes of a square bamboo Type A1 Journal article
  Year 2020 Publication Symmetry-Basel Abbreviated Journal Symmetry-Basel  
  Volume 12 Issue 12 Pages 2073  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Many cross-sectional shapes of plants have been found to approximate a superellipse rather than an ellipse. Square bamboos, belonging to the genus Chimonobambusa (Poaceae), are a group of plants with round-edged square-like culm cross sections. The initial application of superellipses to model these culm cross sections has focused on Chimonobambusa quadrangularis (Franceschi) Makino. However, there is a need for large scale empirical data to confirm this hypothesis. In this study, approximately 750 cross sections from 30 culms of C. utilis were scanned to obtain cross-sectional boundary coordinates. A superellipse exhibits a centrosymmetry, but in nature the cross sections of culms usually deviate from a standard circle, ellipse, or superellipse because of the influences of the environment and terrain, resulting in different bending and torsion forces during growth. Thus, more natural cross-sectional shapes appear to have the form of a deformed superellipse. The superellipse equation with a deformation parameter (SEDP) was used to fit boundary data. We find that the cross-sectional shapes (including outer and inner rings) of C. utilis can be well described by SEDP. The adjusted root-mean-square error of SEDP is smaller than that of the superellipse equation without a deformation parameter. A major finding is that the cross-sectional shapes can be divided into two types of superellipse curves: hyperellipses and hypoellipses, even for cross sections from the same culm. There are two proportional relationships between ring area and the product of ring length and width for both the outer and inner rings. The proportionality coefficients are significantly different, as a consequence of the two different superellipse types (i.e., hyperellipses and hypoellipses). The difference in the proportionality coefficients between hyperellipses and hypoellipses for outer rings is greater than that for inner rings. This work informs our understanding and quantifying of the longitudinal deformation of plant stems for future studies to assess the influences of the environment on stem development. This work is also informative for understanding the deviation of natural shapes from a strict rotational symmetry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000602546300001 Publication Date 2020-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.7; 2020 IF: 1.457  
  Call Number UA @ admin @ c:irua:174472 Serial 8622  
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Author Hillen, M.; Legrand, S.; Dirkx, Y.; Janssens, K.; van der Snickt, G.; Caen, J.; Steenackers, G. url  doi
openurl 
  Title Cluster analysis of IR thermography data for differentiating glass types in historical leaded-glass windows Type A1 Journal article
  Year 2020 Publication Applied Sciences-Basel Abbreviated Journal Appl Sci-Basel  
  Volume 10 Issue 12 Pages 4255-13  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Cultural Heritage Sciences (ARCHES); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Infrared thermography is a fast, non-destructive and contactless testing technique which is increasingly used in heritage science. The aim of this study was to assess the ability of infrared thermography, in combination with a data clustering approach, to differentiate between the different types of historical glass that were included in a colorless leaded-glass windows during previous restoration interventions. Inspection of the thermograms and the application of two data mining techniques on the thermal data, i.e., k-means clustering and hierarchical clustering, allowed identifying different groups of window panes that show a different thermal behavior. Both clustering approaches arrive at similar groupings of the glass with a clear separation of three types. However, the lead cames that hold the glass panes appear to have a substantial impact on the thermal behavior of the surrounding glass, thus preventing classification of the smallest glass panes. For the larger panes, this was not a critical issue as the center of the glass remained unaffected. Subtle visual color differences between panes, implying a variation in coloring metal ions, was not always distinguished by IRT. Nevertheless, data clustering assisted infrared thermography shows potential as an efficient and swift method for documenting the material intervention history of leaded-glass windows during or in preparation of conservation treatments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000549351800001 Publication Date 2020-06-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access  
  Notes Approved (up) Most recent IF: 2.7; 2020 IF: 1.679  
  Call Number UA @ admin @ c:irua:170012 Serial 7674  
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