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Author Yang, C.-Q.; Zhi, R.; Rothmann, M.U.; Xu, Y.-Y.; Li, L.-Q.; Hu, Z.-Y.; Pang, S.; Cheng, Y.-B.; Van Tendeloo, G.; Li, W. pdf  doi
openurl 
  Title Unveiling the intrinsic structure and intragrain defects of organic-inorganic hybrid perovskites by ultralow dose transmission electron microscopy Type A1 Journal article
  Year 2023 Publication Advanced materials Abbreviated Journal  
  Volume Issue Pages 1-9  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Transmission electron microscopy (TEM) is a powerful tool for unveiling the structural, compositional, and electronic properties of organic-inorganic hybrid perovskites (OIHPs) at the atomic to micrometer length scales. However, the structural and compositional instability of OIHPs under electron beam radiation results in misunderstandings of the microscopic structure-property-performance relationship in OIHP devices. Here, ultralow dose TEM is utilized to identify the mechanism of the electron-beam-induced changes in OHIPs and clarify the cumulative electron dose thresholds (critical dose) of different commercially interesting state-of-the-art OIHPs, including methylammonium lead iodide (MAPbI(3)), formamidinium lead iodide (FAPbI(3)), FA(0.83)Cs(0.17)PbI(3), FA(0.15)Cs(0.85)PbI(3), and MAPb(0.5)Sn(0.5)I(3). The critical dose is related to the composition of the OIHPs, with FA(0.15)Cs(0.85)PbI(3) having the highest critical dose of approximate to 84 e angstrom(-2) and FA(0.83)Cs(0.17)PbI(3) having the lowest critical dose of approximate to 4.2 e angstrom(-2). The electron beam irradiation results in the formation of a superstructure with ordered I and FA vacancies along (c), as identified from the three major crystal axes in cubic FAPbI(3), (c), (c), and (c). The intragrain planar defects in FAPbI(3) are stable, while an obvious modification is observed in FA(0.83)Cs(0.17)PbI(3) under continuous electron beam exposure. This information can serve as a guide for ensuring a reliable understanding of the microstructure of OIHP optoelectronic devices by TEM.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000950461600001 Publication Date 2023-02-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 29.4 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 29.4; 2023 IF: 19.791  
  Call Number UA @ admin @ c:irua:195116 Serial 7349  
Permanent link to this record
 

 
Author Motamedi, J.; Azadi, H.; Alijanpour, A.; Shafiei, A.B.; Sheidai-Karkaj, E.; Mofidi-Chelan, M.; Moghaddam, S.M.; Van Passel, S.; Witlox, F. pdf  doi
openurl 
  Title Economic indices of by-products utilization and forage production in semi-arid rangelands Type A1 Journal article
  Year 2022 Publication Journal of environmental planning and management Abbreviated Journal J Environ Plann Man  
  Volume Issue Pages 1-29  
  Keywords A1 Journal article; Sociology; Law; Engineering Management (ENM)  
  Abstract One of the most basic criteria in documenting rangeland use prospects is the recognition of byproducts and their economic appraisal. The current study was conducted to assess the economic indices of exploiting byproduct production in Shahindej, Northwest Iran. For this purpose, 24 by-product-generating species were selected in 114 locations that belong to 49 rangeland units. The total expected value of 24 by-product generating species yield and forage production was calculated at 44.22 USD ha(-1). The results of this study showed that the sustainability of natural resources depends on the effective participation and empowerment of local communities. Furthermore, by-product exploitation contributes significantly to the local economy and employment while also reducing grazing intensity. Overall, the findings of this study show that by-product earnings should be considered in range management schemes and comprehensive natural-area management.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000830614200001 Publication Date 2022-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0964-0568 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.56 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:189725 Serial 7355  
Permanent link to this record
 

 
Author Larraín, M.; Billen, P.; Van Passel, S. pdf  doi
openurl 
  Title The effect of plastic packaging recycling policy interventions as a complement to extended producer responsibility schemes : a partial equilibrium model Type A1 Journal article
  Year 2022 Publication Waste Management Abbreviated Journal Waste Manage  
  Volume 153 Issue Pages 355-366  
  Keywords A1 Journal article; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)  
  Abstract Extended producer responsibility (EPR) schemes have effectively increased the plastic waste that is separately collected. However, due to the structure of the recycling industry, EPR cannot increase recycling rates up to the target levels.Additional policy instruments to increase recycling rates such as recycled content targets, green dot fees bonus for recycled content, recycling targets and taxes on non-recycled plastic packaging have been discussed on a political level in the last years. However, very little research has quantitatively studied the effectiveness of these policy interventions.Using a partial equilibrium model, this paper examines the effectiveness of the implementation of the aforementioned policy instruments to increase recycling rates and the impact on different stakeholders of the value chain: plastic producers, consumers, producer responsibility organization and recyclers.Results show that direct interventions (recycled content standards and recycling targets) have the benefit of decoupling the recycling industry from external markets such as the oil market. They can be a good starting point to increase recycling, but in the long term they may be restricting by not presenting incentives to achieve recycling levels beyond the targeted amounts and by limiting technological innovation. On the contrary, eco-nomic interventions such as a green dot fee bonus or a packaging tax create economic incentives for recycling. However, these incentives are diminished by the lower perceived quality of packaging with higher recycled content levels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000868915000004 Publication Date 2022-09-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0956-053x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.1 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 8.1  
  Call Number UA @ admin @ c:irua:191367 Serial 7370  
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Author Kummamuru, N.B.; Perreault, P.; Lenaerts, S. pdf  doi
openurl 
  Title A new generalized empirical correlation for predicting methane hydrate equilibrium conditions in pure water Type A1 Journal article
  Year 2021 Publication Industrial & Engineering Chemistry Research Abbreviated Journal Ind Eng Chem Res  
  Volume 60 Issue 8 Pages 3474-3483  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This work contributes to a new generalized empirical correlation for predicting methane (CH4) hydrate equilibrium conditions in pure water. Unlike the conventional thermodynamic approach that involves complex reckoning, the proposed empirical equation is developed by regressing 215 experimental data points from the literature and validating with 45 data points for predicting methane hydrate equilibrium conditions in pure water. The new correlation is proposed for a temperature and pressure range of 273.2–303.48 K and 2.63–72.26 MPa, respectively. The accuracy and performance of the proposed correlation is quantitatively evaluated using statistical error analysis. The proposed correlation was able to estimate CH4 hydrate equilibrium conditions satisfactorily with an R2 of 0.99987. The overall error analysis for the proposed correlation shows fair agreement with the experimental data reported within the literature. Concurrently, the new correlation showed better performance in predicting equilibrium conditions compared to those calculated by other empirical correlations available in the literature within the investigated range. In addition, the proposed empirical equation is also checked to evaluate its efficacy in fitting each set of experimental binary/ternary methane hydrates (BTMH) and binary hydrogen hydrates (BHH) for an accurate representation of equilibrium data over a wide range of composition, pressure, and temperature conditions. A maximum percentage deviation of 0.58% and 0.24% was observed between experimental and calculated equilibrium conditions for BTMH and BHH, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626326200017 Publication Date 2021-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0888-5885; 1520-5045 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.843  
  Call Number UA @ admin @ c:irua:175862 Serial 7394  
Permanent link to this record
 

 
Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title Ab initio modeling of few-layer dilute magnetic semiconductors Type P1 Proceeding
  Year 2021 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2021, Dallas, TX Abbreviated Journal  
  Volume Issue Pages 141-145  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We present a computational model to model the magnetic structure of two-dimensional (2D) dilute-magnetic-semiconductors (DMS) both the monolayers and multilayers using first-principles density functional theory (DFT), as well as their magnetic phase transition as a function of temperature using Monte-Carlo simulations. Using our method, we model the magnetic structure of bulk, bilayer, and monolayer MoS2 substitutionally doped with Fe atoms. We find that the out-of-plane interaction in bilayer MoS2 is weakly ferromagnetic, whereas in bulk MoS2 it is strongly anti-ferromagnetic. Finally, we show that the magnetic order is more robust in bilayer Fe-doped MoS2 compared to the monolayer and results in a room-temperature FM at an atomic substitution of 14-16%.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000766985400034 Publication Date 2021-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-6654-0685-7 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:187291 Serial 7401  
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Author Stefan, G.; Hosu, O.; De Wael, K.; Jesus Lobo-Castanon, M.; Cristea, C. pdf  doi
openurl 
  Title Aptamers in biomedicine : selection strategies and recent advances Type A1 Journal article
  Year 2021 Publication Electrochimica Acta Abbreviated Journal Electrochim Acta  
  Volume 376 Issue Pages 137994  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Aptamers have come in the spotlight as bio-mimetic molecular recognition elements in the field of biomedicine due to various applications in diagnostics, drug delivery, therapeutics, and pharmaceutical analysis. Aptamers are composed of nucleic acid strands (DNA or RNA) that can specifically interact in a three-dimensional tailored design with the target molecule. The basic method to generate aptamers is Systematic Evolution of Ligands by Exponential Enrichment (SELEX). Recent technological advances in aptamer selection allow for faster and cheaper production of a new generation of high-affinity aptamers compared to the traditional SELEX, which can last up to several months. Rigorous characterization performed by multiple research groups endorsed several well-defined aptamer sequences. Binding affinity, nature of the biomolecular interactions and structural characterization are of paramount importance for aptamer screening and development of applications. However, remarkable challenges still need to be dealt with before the aptamers can make great contributions to the biomedical field. Poor specificity and sensitivity, questionable clinical use, low drug loading, in vivo stability and toxicity are only some of the identified challenges. This review accounts for the 30th celebration of the SELEX technology underlining the most important aptamers' achievements in the biomedical field within mostly the past five years. Aptamers' advantages over antibodies are discussed. Because of potential clinical translational utility, insights of remarkable developments in aptamer-based methods for diagnosis and monitoring of disease biomarkers and pharmaceuticals are discussed focusing on the recent studies (2015-2020). The current challenges and promising opportunities for aptamers for therapeutic and theragnostic purposes are also presented. (C) 2021 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000634761900003 Publication Date 2021-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.798 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 4.798  
  Call Number UA @ admin @ c:irua:177677 Serial 7491  
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Author Zhang, T.; Schilling, W.; Khan, S.U.; Ching, H.Y.V.; Lu, C.; Chen, J.; Jaworski, A.; Barcaro, G.; Monti, S.; De Wael, K.; Slabon, A.; Das, S. pdf  doi
openurl 
  Title Atomic-level understanding for the enhanced generation of hydrogen peroxide by the introduction of an aryl amino group in polymeric carbon nitrides Type A1 Journal article
  Year 2021 Publication Acs Catalysis Abbreviated Journal Acs Catal  
  Volume 11 Issue 22 Pages 14087-14101  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Heterogeneous catalysts are often & ldquo;black boxes & rdquo; due to the insufficient understanding of the detailed mechanisms at the catalytic sites. An atomic-level elucidation of the processes taking place in those regions is, thus, mandatory to produce robust and selective heterogeneous catalysts. We have improved the description of the whole reactive scenario for polymeric carbon nitrides (PCN) by combining atomic-level characterizations with magic-angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) spectroscopy, classical reactive molecular dynamics (RMD) simulations, and quantum chemistry (QC) calculations. We disclose the structure & minus;property relationships of an ad hoc modified PCN by inserting an aryl amino group that turned out to be very efficient for the production of H2O2. The main advancement of this work is the development of a difluoromethylene-substituted aryl amino PCN to generate H2O2 at a rate of 2.0 mM & middot;h & minus;1 under the irradiation of household blue LEDs and the identification of possible active catalytic sites with the aid of 15N and 19F MAS solid-state NMR without using any expensive labeling reagent. RMD simulations and QC calculations confirm and further extend the experimental descriptions by revealing the role and locations of the identified functionalities, namely, NH linkers, & minus;NH2 terminal groups, and difluoromethylene units, reactants, and products. <comment>Superscript/Subscript Available</comment  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000758012900020 Publication Date 2021-11-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.614 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 10.614  
  Call Number UA @ admin @ c:irua:187276 Serial 7534  
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Author Zhang, G.; Huang, S.; Chaves, A.; Yan, H. pdf  doi
openurl 
  Title Black phosphorus as tunable Van der Waals quantum wells with high optical quality Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal  
  Volume 17 Issue 6 Pages 6073-6080  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Van der Waals quantum wells, naturally formed in two-dimensional layered materials with nanoscale thickness, possess many inherent advantages over conventional molecular beam epitaxy grown counterparts, and could bring up intriguing physics and applications. However, optical transitions originated from the series of quantized states in these emerging quantum wells are still elusive. Here, we show that multilayer black phosphorus appears to be an excellent candidate for van der Waals quantum wells with well-defined subbands and high optical quality. Using infrared absorption spectroscopy, we probe subband structures of multilayer black phosphorus with tens of atomic layers, revealing clear signatures for optical transitions with subband index as high as 10, far from what was attainable previously. Surprisingly, in addition to allowed transitions, an unexpected series of “forbidden” transitions is also evidently observed, which enables us to determine energy spacings separately for conduction and valence subbands. Furthermore, the linear tunability of subband spacings by temperature and strain is demonstrated. Our results are expected to facilitate potential applications for infrared optoelectronics based on tunable van der Waals quantum wells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000953463300001 Publication Date 2023-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.1 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 17.1; 2023 IF: 13.942  
  Call Number UA @ admin @ c:irua:196100 Serial 7565  
Permanent link to this record
 

 
Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. doi  openurl
  Title Cation-controlled permeation of charged polymers through nanocapillaries Type A1 Journal article
  Year 2023 Publication Physical review E Abbreviated Journal Phys Rev E  
  Volume 107 Issue 3 Pages 034501-34510  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000955986000006 Publication Date 2023-03-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-0053 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.4 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.4; 2023 IF: 2.366  
  Call Number UA @ admin @ c:irua:196089 Serial 7586  
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Author Navare, K.; Muys, B.; Vrancken, K.C.; Van Acker, K. doi  openurl
  Title Circular economy monitoring – How to make it apt for biological cycles? Type A1 Journal article
  Year 2021 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy  
  Volume 170 Issue Pages 105563  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Circular economy (CE) principles distinguish between technical and biological cycles. Technical cycles involve the management of stocks of non-renewable abiotic resources that cannot be appropriately returned to the biosphere, whereas, biological cycles involve the flows of renewable biotic resources that can safely cycle in and out of the biosphere. Despite this distinction, existing CE monitors are typically developed for technical cycles, and focus mainly on the extent to which resources are looped back in the technosphere. These monitors seem less apt to assess the circularity of biological cycles. This study aims to identify this gap by critically reviewing the CE monitoring criteria and CE assessment tools, and evaluate if they include the four key characteristics of biological cycles. Firstly, biotic resources, although renewable, require to be harvested sustainably. Secondly, while abiotic resources can be restored and recycled to their original quality, biotic resources degrade in quality with every subsequent use and are, hence, cascaded in use. Thirdly, biotic resources should safely return as nutrients to the biosphere to support the regeneration of ecosystems. Fourthly, biological cycles have environmental impacts due to resource extraction, resulting from land-use and resource-depletion and biogenic carbon flows. The CE monitoring criteria lack in thoroughly assessing these characteristics. With the growing demand for biotic resources, the gap in the assessment could exacerbate the overexploitation of natural resources and cause the degradation of ecosystems. The study discusses measures to bridge this gap and suggests ways to design a CE assessment framework that is also apt for biological cycles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000667309200009 Publication Date 2021-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.313 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 3.313  
  Call Number UA @ admin @ c:irua:191685 Serial 7666  
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Author Cadorim, L.R.; de Toledo, L.V.; Ortiz, W.A.; Berger, J.; Sardella, E. doi  openurl
  Title Closed vortex state in three-dimensional mesoscopic superconducting films under an applied transport current Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 107 Issue 9 Pages 094515-94518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using the full 3D generalized time-dependent Ginzbug-Landau equation, we study a long superconducting film of finite width and thickness under an applied transport current. We show that, for sufficiently large thickness, the vortices and the antivortices become curved before they annihilate each other. As they approach the center of the sample, their ends combine, producing a single closed vortex. We also determine the critical values of the thickness for which the closed vortex sets in for different values of the Ginzburg-Ladau parameter. Finally, we propose a model of how to detect a closed vortex experimentally.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000957055800002 Publication Date 2023-03-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836  
  Call Number UA @ admin @ c:irua:196079 Serial 7673  
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Author Puglisi, A.; Bassini, S.; Reimhult, E. doi  openurl
  Title Cyclodextrin-appended superparamagnetic iron oxide nanoparticles as cholesterol-mopping agents Type A1 Journal article
  Year 2021 Publication Frontiers In Chemistry Abbreviated Journal Front Chem  
  Volume 9 Issue Pages 795598  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Cholesterol plays a crucial role in major cardiovascular and neurodegenerative diseases, including Alzheimer’s disease and rare genetic disorders showing altered cholesterol metabolism. Cyclodextrins (CDs) have shown promising therapeutic efficacy based on their capacity to sequester and mobilise cholesterol. However, the administration of monomeric CDs suffers from several drawbacks due to their lack of specificity and poor pharmacokinetics. We present core-shell superparamagnetic iron oxide nanoparticles (SPIONs) functionalised with CDs appended to poly (2-methyl-2-oxazoline) polymers grafted in a dense brush to the iron oxide core. The CD-decorated nanoparticles (CySPIONs) are designed so that the macrocycle is specifically cleaved off the nanoparticle’s shell at a slightly acidic pH. In the intended use, free monomeric CDs will then mobilise cholesterol out of the lysosome to the cytosol and beyond through the formation of an inclusion complex. Hence, its suitability as a therapeutic platform to remove cholesterol in the lysosomal compartment. Synthesis and full characterization of the polymer as well as of the core-shell SPION are presented. Cholesterol-binding activity is shown through an enzymatic assay.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2296-2646 ISBN Additional Links UA library record  
  Impact Factor 3.994 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 3.994  
  Call Number UA @ admin @ c:irua:192273 Serial 7749  
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Author Gielis, J. pdf  doi
openurl 
  Title Double helix of phyllotaxis : analysis of the geometric model of plant morphogenesis, by Boris Rozin Type Review
  Year 2021 Publication Quarterly Review Of Biology Abbreviated Journal Q Rev Biol  
  Volume 96 Issue 2 Pages 139-140  
  Keywords Review; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-05-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0033-5770; 1539-7718 ISBN Additional Links UA library record  
  Impact Factor 4.25 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 4.25  
  Call Number UA @ admin @ c:irua:178829 Serial 7824  
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Author Sleegers, N.; van Nuijs, A.L.N.; van den Berg, M.; De Wael, K. pdf  doi
openurl 
  Title Electrochemistry of intact versus degraded cephalosporin antibiotics facilitated by LC–MS analysis Type A1 Journal article
  Year 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 93 Issue 4 Pages 2394-2402  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract The electrochemical detection of cephalosporins is a promising approach for the monitoring of cephalosporin levels in process waters. However, this class of antibiotics, like penicillins, is composed of chemically active molecules and susceptible to hydrolysis and aminolysis of the four membered β-lactam ring present. In order to develop a smart monitoring strategy for cephalosporins, the influence of degradation (hydrolysis and aminolysis) on the electrochemical fingerprint has to be taken into account. Therefore, an investigation was carried out to understand the changes of the voltammetric fingerprints upon acidic and alkaline degradation. Changes in fingerprints were correlated to the degradation pathways through the combination of square wave voltammetry and liquid chromatography quadrupole time-of-flight analysis. The characteristic electrochemical signals of the β-lactam ring disappeared upon hydrolysis. Additional oxidation signals that appeared after degradation were elucidated and linked to different degradation products, and therefore, enrich the voltammetric fingerprints with information of the state of the cephalosporins. The applicability of the electrochemical monitoring system was explored by the analysis of the intact and degraded industrial process waters containing the key intermediate 7-aminodeacetoxycephalosporanic acid (7-ADCA). Clearly, the intact process samples exhibited the expected core signals of 7-ADCA and could be quantified, while the degraded samples only showed the newly formed degradation products.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000618089100063 Publication Date 2021-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:176206 Serial 7864  
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Author Chernozem, R., V; Romanyuk, K.N.; Grubova, I.; Chernozem, P., V.; Surmeneva, M.A.; Mukhortova, Y.R.; Wilhelm, M.; Ludwig, T.; Mathur, S.; Kholkin, A.L.; Neyts, E.; Parakhonskiy, B.; Skirtach, A.G.; Surmenev, R.A. pdf  doi
openurl 
  Title Enhanced piezoresponse and surface electric potential of hybrid biodegradable polyhydroxybutyrate scaffolds functionalized with reduced graphene oxide for tissue engineering Type A1 Journal article
  Year 2021 Publication Nano Energy Abbreviated Journal Nano Energy  
  Volume 89 Issue B Pages 106473  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Piezoelectricity is considered to be one of the key functionalities in biomaterials to boost bone tissue regeneration, however, integrating biocompatibility, biodegradability and 3D structure with pronounced piezoresponse remains a material challenge. Herein, novel hybrid biocompatible 3D scaffolds based on biodegradable poly(3-hydroxybutyrate) (PHB) and reduced graphene oxide (rGO) flakes have been developed. Nanoscale insights revealed a more homogenous distribution and superior surface potential values of PHB fibers (33 +/- 29 mV) with increasing rGO content up to 1.0 wt% (314 +/- 31 mV). The maximum effective piezoresponse was detected at 0.7 wt% rGO content, demonstrating 2.5 and 1.7 times higher out-of-plane and in-plane values, respectively, than that for pure PHB fibers. The rGO addition led to enhanced zigzag chain formation between paired lamellae in PHB fibers. In contrast, a further increase in rGO content reduced the alpha-crystal size and prevented zigzag chain conformation. A corresponding model explaining structural and molecular changes caused by rGO addition in electrospun PHB fibers is proposed. In addition, finite element analysis revealed a negligible vertical piezoresponse compared to lateral piezoresponse in uniaxially oriented PHB fibers based on alpha-phase (P2(1)2(1)2(1) space group). Thus, the present study demonstrates promising results for the development of biodegradable hybrid 3D scaffolds with an enhanced piezoresponse for various tissue engineering applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000703592700002 Publication Date 2021-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.343 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 12.343  
  Call Number UA @ admin @ c:irua:182579 Serial 7914  
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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 (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:193761 Serial 7971  
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Author Gomes, N.O.; Mendonça, C.D.; Machado, S.A.S.; Oliveira, O.N., Jr.; Raymundo-Pereira, P.A. pdf  doi
openurl 
  Title Flexible and integrated dual carbon sensor for multiplexed detection of nonylphenol and paroxetine in tap water samples Type A1 Journal article
  Year 2021 Publication Microchimica Acta Abbreviated Journal Microchim Acta  
  Volume 188 Issue 10 Pages 359  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Multiplex detection of emerging pollutants is essential to improve quality control of water treatment plants, which requires portable systems capable of real-time monitoring. In this paper we describe a flexible, dual electrochemical sensing device that detects nonylphenol and paroxetine in tap water samples. The platform contains two voltammetric sensors, with different working electrodes that were either pretreated or functionalized. Each working electrode was judiciously tailored to cover the concentration range of interest for nonylphenol and paroxetine, and square wave voltammetry was used for detection. An electrochemical pretreatment with sulfuric acid on the printed electrode enabled a selective detection of nonylphenol in 1.0-10 x 10(-6) mol L-1 range with a limit of detection of 8.0 x 10(-7) mol L-1. Paroxetine was detected in the same range with a limit of detection of 6.7 x 10(-7) mol L-1 using the printed electrode coated with a layer of carbon spherical shells. Simultaneous detection of the two analytes was achieved in tap water samples within 1 min, with no fouling and no interference effects. The long-term monitoring capability of the dual sensor was demonstrated in phosphate buffer for 45 days. This performance is statistically equivalent to that of high-performance liquid chromatography (HPLC) for water analysis. The dual-sensor platform is generic and may be extended to other water pollutants and clinical biomarkers in real-time monitoring of the environment and health conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000702722700001 Publication Date 2021-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-3672; 1436-5073 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.58 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 4.58  
  Call Number UA @ admin @ c:irua:182649 Serial 7973  
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Author Xiaoyan, S.; Zhang, Y.-R.; Wang, Y.-N.; He, J.-X. doi  openurl
  Title Fluid simulation of the superimposed dual-frequency source effect in inductively coupled discharges Type A1 Journal article
  Year 2021 Publication Physics Of Plasmas Abbreviated Journal Phys Plasmas  
  Volume 28 Issue 11 Pages 113504-113510  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Superimposition of dual frequencies (DFs) is one of the methods used for controlling plasma distribution in an inductively coupled plasma (ICP) source. The effects of a superimposed DF on the argon plasma characteristics have been investigated using a two-dimensional self-consistent fluid model. When both currents are fixed at 6A, the plasma density drops with decrease in one of the source frequencies due to less efficient heating and the plasma uniformity improves significantly. Moreover, for ICP operated with superimposed DFs (i.e., 4.52MHz/13.56MHz and 2.26MHz/13.56MHz), the current source exhibits the same period as the low frequency (LF) component, and the plasma density is higher than that obtained at a single frequency (i.e., 4.52 and 2.26MHz) with the same total current of 12A. However, at superimposed current frequencies of 6.78MHz/13.56MHz, the plasma density is lower than that obtained at a single frequency of 6.78MHz due to the weaker negative azimuthal electric field between two positive maxima during one period of 6.78MHz. When the superimposed DF ICP operates at 2.26 and 13.56MHz, the rapid oscillations of the induced electric field become weaker during one period of 2.26MHz as the current ratio of 2.26MHz/13.56MHz rises from 24A/7 A to 30A/1 A, and the plasma density drops with the current ratio due to weakened electron heating. The uniformity of plasma increases due to sufficient diffusion under the low-density condition.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000760326100004 Publication Date 2021-11-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1070-664x ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.115 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.115  
  Call Number UA @ admin @ c:irua:187245 Serial 7974  
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Author Chinnabathini, V.C.; Dingenen, F.; Borah, R.; Abbas, I.; van der Tol, J.; Zarkua, Z.; D'Acapito, F.; Nguyen, T.H.T.; Lievens, P.; Grandjean, D.; Verbruggen, S.W.; Janssens, E. doi  openurl
  Title Gas phase deposition of well-defined bimetallic gold-silver clusters for photocatalytic applications Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal  
  Volume 15 Issue 14 Pages 6696-6708  
  Keywords A1 Journal article; Engineering sciences. Technology  
  Abstract Cluster beam deposition is employed for fabricating well-defined bimetallic plasmonic photocatalysts to enhance their activity while facilitating a more fundamental understanding of their properties. AuxAg1-x clusters with compositions (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1) spanning the metals' miscibility range were produced in the gas-phase and soft-landed on TiO2 P25-coated silicon wafers with an optimal coverage of 4 atomic monolayer equivalents. Electron microscopy images show that at this coverage most clusters remain well dispersed whereas EXAFS data are in agreement with the finding that the deposited clusters have an average size of ca. 5 nm and feature the same composition as the ablated alloy targets. A composition-dependant electron transfer from Au to Ag that is likely to impart chemical stability to the bimetallic clusters and protect Ag atoms against oxidation is additionally evidenced by XPS and XANES. Under simulated solar light, AuxAg1-x clusters show a remarkable composition-dependent volcano-type enhancement of their photocatalytic activity towards degradation of stearic acid, a model compound for organic fouling on surfaces. The Formal Quantum Efficiency (FQE) is peaking at the Au0.3Ag0.7 composition with a value that is twice as high as that of the pristine TiO2 P25 under solar simulator. Under UV the FQE of all compositions remains similar to that of pristine TiO2. A classical electromagnetic simulation study confirms that among all compositions Au0.3Ag0.7 features the largest near-field enhancement in the wavelength range of maximal solar light intensity, as well as sufficient individual photon energy resulting in a better photocatalytic self-cleaning activity. This allows ascribing the mechanism for photocatalysis mostly to the plasmonic effect of the bimetallic clusters through direct electron injection and near-field enhancement from the resonant cluster towards the conduction band of TiO2. These results not only demonstrate the added value of using well-defined bimetallic nanocatalysts to enhance their photocatalytic activity but also highlights the potential of the cluster beam deposition to design tailored noble metal modified photocatalytic surfaces with controlled compositions and sizes without involving potentially hazardous chemical agents.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000968631100001 Publication Date 2023-03-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 6.7; 2023 IF: 7.367  
  Call Number UA @ admin @ c:irua:196040 Serial 7988  
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Author Chapman, D.; Gielis, J. doi  openurl
  Title Gielis transformations for the audiovisual geometry database Type A1 Journal article
  Year 2021 Publication Symmetry : culture and science Abbreviated Journal  
  Volume 32 Issue 2 Pages 177-180  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This publication introduces the audiovisual geometry database with Gielis transformations as initial records for a prototype of the database. A concise overview is given of the rationale behind the database and studying wave phenomena with Gielis transformations. First results on a form of timbral polyphony observed in Gielis curves and future work are briefly discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0865-4824 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180965 Serial 8004  
Permanent link to this record
 

 
Author Karaaslan, Y.; Haskins, J.B.; Yapicioglu, H.; Sevik, C. doi  openurl
  Title Influence of randomly distributed vacancy defects on thermal transport in two-dimensional group-III nitrides Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 129 Issue 22 Pages 224304  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Efficient thermal transport control is a fundamental issue for electronic device applications such as information, communication, and energy storage technologies in modern electronics in order to achieve desired thermal conditions. Structural defects in materials provide a mechanism to adjust the thermal transport properties of these materials on demand. In this context, the effect of structural defects on lattice thermal conductivities of two-dimensional hexagonal binary group-III nitride (XN, X = B, Al, and Ga) semiconductors is systematically investigated by means of classical molecular dynamics simulations performed with recently developed transferable inter-atomic potentials accurately describing defect energies. Here, two different Green-Kubo based approaches and another approach based on non-equilibrium molecular dynamics are compared in order to get an overall understanding. Our investigation clearly shows that defect concentrations of 3% decrease the thermal conductivity of systems containing these nitrites up to 95%. Results hint that structural defects can be used as effective adjustment parameters in controlling thermal transport properties in device applications associated with these materials. Published under an exclusive license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000692024300001 Publication Date 2021-06-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:181618 Serial 8096  
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Author Gonzalez-Quiroga, A.; Shtern, V.; Perreault, P.; Vandewalle, L.; Marin, G.B.; Van Geem, K.M. pdf  doi
openurl 
  Title Intensifying mass and heat transfer using a high-g stator-rotor vortex chamber Type A1 Journal article
  Year 2021 Publication Chemical Engineering And Processing Abbreviated Journal Chem Eng Process  
  Volume 169 Issue Pages 108638-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Vortex reactors take advantage of the synergy between enhanced heat and mass transfer rates and multifunctional phenomena at different temporal and spatial scales. Proof-of-concept experiments with our novel and innovative STAtor-Rotor VOrtex Chamber (STARVOC) confirm its advantageous features for the sustainable production of chemicals and fuels. STARVOC is a high-g contactor that uses carrier flow (gas or liquid) tangential injection to drive a rotor attached to low-friction bearings. The vortex chamber inside the rotor contains a secondary phase or phases, such as a solids bed, a liquid layer, or a suspension. Carrier fluid passes through the perforated rotor wall and contacts a densely and uniformly distributed secondary phase with enhanced slip velocities. Experiments focused on pressure profiles, rotor angular velocity, and solids azimuthal velocity. With air as the carrier fluid and different solid particle beds as the secondary phase, STARVOC reached bed azimuthal velocities up to four-fold compared to those reached in Gas-Solid Vortex Units with fully static geometry. These results show its potential to improve interfacial heat and mass transfer rates and take advantage of flow energy and angular momentum. Due to its process intensification capabilities, STARVOC is a promising alternative for the state-of-the-art chemical industry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000704946900008 Publication Date 2021-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0255-2701 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.234 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.234  
  Call Number UA @ admin @ c:irua:181062 Serial 8111  
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Author Alvarez-Martin, A.; Wilcop, M.; Anderson, R.; Wendt, D.; Barden, R.; Kavich, G.M. pdf  doi
openurl 
  Title Investigation of volatile organic compounds in museum storage areas Type A1 Journal article
  Year 2021 Publication Air Quality Atmosphere And Health Abbreviated Journal Air Qual Atmos Hlth  
  Volume 14 Issue 11 Pages 1797-1809  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract This study investigates the complex mixture of volatile organic compounds (VOCs) released by and accumulated within a collection of historic medicinal, pharmaceutical, and cosmetic artifacts housed at the National Museum of American History (Smithsonian Institution). In recent years, staff have become concerned, both for the safety of the objects and for personnel working in the collection, about strong unremediated odors accumulating within several storage cabinets. Museum staff also wondered if non-odorous off-gassing might need remediation. Solid-phase microextraction combined with gas chromatography–mass spectrometry analysis (SPME–GC–MS) was used to identify VOCs present in the storage room housing the collection. Over 160 compounds were detected and identified overall. Among these, 49 appeared to be directly related to ingredients used in the manufacture of many collection items. The results of the study suggest that SPME–GC–MS can be a strong tool for the rapid screening of multicomponent museum collections exhibiting off-gassing problems, before the pursuit of other more tedious analytical approaches. Additionally, the study reveals valuable insight into the characteristic volatile emission of historic medicinal, pharmaceutical, and cosmetic artifacts, increasing understanding of, and decision-making for, similar collections of objects. Eventually, it is hoped that this information can be used to inform mitigation strategies for the capture and reduction of VOCs in collections storage areas.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000659058300001 Publication Date 2021-06-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1873-9318 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.184 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 3.184  
  Call Number UA @ admin @ c:irua:181923 Serial 8129  
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Author Schram, J.; Thiruvottriyur Shanmugam, S.; Sleegers, N.; Florea, A.; Samyn, N.; van Nuijs, A.L.N.; De Wael, K. pdf  doi
openurl 
  Title Local conversion of redox inactive molecules into redox active ones : a formaldehyde based strategy for the electrochemical detection of illicit drugs containing primary and secondary amines Type A1 Journal article
  Year 2021 Publication Electrochimica Acta Abbreviated Journal Electrochim Acta  
  Volume 367 Issue Pages 137515  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract Electrochemical techniques have evidenced to be highly suitable for the development of portable, rapid and accurate screening methods for the detection of illicit drugs in seized samples. However, the redox inactivity of primary amines, one of the most common functional groups of illicit drugs, masks voltammetric detection in aqueous environment at carbon electrodes and, therefore, leads to false negative results if only these primary amines are present in the structures. This work explores the feasibility of a derivatisation approach that introduces formaldehyde in the measuring conditions in order to achieve methylation, via an Eschweiler-Clarke mechanism, of illicit drugs containing primary and secondary amines, using amphetamine (AMP) and methamphetamine (MET) as model molecules. As a result the electrochemical fingerprint is enriched and thereby the detectability enhanced. A combination of liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOFMS) and square-wave voltammetric (SWV) measurements is employed to identify reaction products and link them to the observed redox peaks. Although an alkaline environment (pH 12.0) proved to increase the reaction yield, a richer electrochemical fingerprint (EF) is obtained in neutral conditions (pH 7.0). Similarly, the addition of formate improved the reaction conversion but reduced the EF by eliminating a redox peak that is attributed to side products formed in the absence of formate. To illustrate the applicability, the derivatisation strategy is applied to several prominent illicit drugs containing primary and secondary amines to demonstrate its EF enriching capabilities. Finally, real street samples from forensic seizures are analysed. Overall, this strategy unlocks the detectability of the hitherto undetectable AMP and other drugs only containing primary amines, while strongly facilitating the identification of MET and analogues. These findings are not limited to illicit drugs, the insights can ultimately be applied to other target molecules containing similar functional groups. (C) 2020 Published by Elsevier Ltd.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000607620700010 Publication Date 2020-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.798 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 4.798  
  Call Number UA @ admin @ c:irua:176083 Serial 8177  
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Author Sun, J.; Li, Y.; Karaaslan, Y.; Sevik, C.; Chen, Y. doi  openurl
  Title Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 130 Issue 3 Pages 035301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1/3(1 (2) over bar 10) and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface. Published under an exclusive license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000694725800001 Publication Date 2021-07-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:181623 Serial 8254  
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Author Baly, L.; Quesada, I.; Murray, A.S.; Martin, G.; van Espen, P.; Arteche, R.; Jain, M. pdf  doi
openurl 
  Title Modeling the charge deposition in quartz grains during natural irradiation and its influence on the optically stimulated luminescence signal Type A1 Journal article
  Year 2021 Publication Radiation Measurements Abbreviated Journal Radiat Meas  
  Volume 142 Issue Pages 106564  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The rate of charge deposition in quartz grains irradiated in natural conditions is computed by radiation transport modeling. Quartz luminescence models are modified with the addition of the resulting charge deposition term, and the influence of this process on the optically stimulated luminescence (OSL) signal is analyzed. The results indicate that the charge deposition occurring in the quartz grain during the time of residence within rock could lead to the depletion of trapped holes in the recombination centres. For the two different quartz models investigated here, complete depletion is expected to occur for rock ages between 500 Ma and 1100 Ma. It is predicted that for sedimentary quartz derived from such rocks, the OSL signal is dominated by the slow component. It was also found that the shape and saturation level of the natural sensitivity-corrected dose response curve (DRC) of quartz is affected by the charge deposition; specifically, a linear reduction of the saturation level with the age of the rock is observed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000639160300003 Publication Date 2021-03-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1350-4487 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.442 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 1.442  
  Call Number UA @ admin @ c:irua:178307 Serial 8265  
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Author Biondo, O.; Hughes, A.; van der Steeg, A.; Maerivoet, S.; Loenders, B.; van Rooij, G.; Bogaerts, A. pdf  doi
openurl 
  Title Power concentration determined by thermodynamic properties in complex gas mixtures : the case of plasma-based dry reforming of methane Type A1 Journal article
  Year 2023 Publication Plasma sources science and technology Abbreviated Journal  
  Volume 32 Issue 4 Pages 045001-45020  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We investigate discharge contraction in a microwave plasma at sub-atmospheric pressure, operating in CO2 and CO2/CH4 mixtures. The rise of the electron number density with plasma contraction intensifies the gas heating in the core of the plasma. This, in turn, initiates fast core-periphery transport and defines the rate of thermal chemistry over plasma chemistry. In this context, power concentration describes the overall mechanism including plasma contraction and chemical kinetics. In a complex chemistry such as dry reforming of methane, transport of reactive species is essential to define the performance of the reactor and achieve the desired outputs. Thus, we couple experimental observations and thermodynamic calculations for model validation and understanding of reactor performance. Adding CH4 alters the thermodynamic properties of the mixture, especially the reactive component of the heat conductivity. The increase in reactive heat conductivity increases the pressure at which plasma contraction occurs, because higher rates of gas heating are required to reach the same temperature. In addition, we suggest that the predominance of heat conduction over convection is a key condition to observe the effect of heat conductivity on gas temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000963579500001 Publication Date 2023-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 3.8; 2023 IF: 3.302  
  Call Number UA @ admin @ c:irua:196044 Serial 8397  
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Author Wang, F.; Wang, C.; Chaves, A.; Song, C.; Zhang, G.; Huang, S.; Lei, Y.; Xing, Q.; Mu, L.; Xie, Y.; Yan, H. doi  openurl
  Title Prediction of hyperbolic exciton-polaritons in monolayer black phosphorus Type A1 Journal article
  Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun  
  Volume 12 Issue 1 Pages 5628  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Hyperbolic polaritons exhibit large photonic density of states and can be collimated in certain propagation directions. The majority of hyperbolic polaritons are sustained in man-made metamaterials. However, natural-occurring hyperbolic materials also exist. Particularly, natural in-plane hyperbolic polaritons in layered materials have been demonstrated in MoO3 and WTe2, which are based on phonon and plasmon resonances respectively. Here, by determining the anisotropic optical conductivity (dielectric function) through optical spectroscopy, we predict that monolayer black phosphorus naturally hosts hyperbolic exciton-polaritons due to the pronounced in-plane anisotropy and strong exciton resonances. We simultaneously observe a strong and sharp ground state exciton peak and weaker excited states in high quality monolayer samples in the reflection spectrum, which enables us to determine the exciton binding energy of similar to 452 meV. Our work provides another appealing platform for the in-plane natural hyperbolic polaritons, which is based on excitons rather than phonons or plasmons.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000698984500003 Publication Date 2021-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:191688 Serial 8404  
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 (down) Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:193762 Serial 8425  
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Author Verlinden, B.; Van Hoecke, K.; Aerts, A.; Daems, N.; Dobney, A.; Janssens, K.; Cardinaels, T. doi  openurl
  Title Quantification of boron in cells for evaluation of drug agents used in boron neutron capture therapy Type A1 Journal article
  Year 2021 Publication Journal Of Analytical Atomic Spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 36 Issue 3 Pages 598-606  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Boron neutron capture therapy (BNCT) is an extensively studied radiotherapeutic strategy for cancer treatment. BNCT is based on irradiation of malignant tumour cells with neutrons after uptake of a B-10 containing molecule. Alpha particles, locally produced by neutron irradiation kill the cancer cells. Important for ongoing research regarding cellular uptake and cytotoxicity of a large variety of B-10 containing molecules is the accurate determination of boron concentrations in cell cultures. In this work, the sample preparation for quantitative inductively coupled plasma mass spectrometry (ICP-MS) analysis on cell cultures was optimized. By making use of acid digestion combined with UV digestion, low detection limits (0.4 mu g L-1) and full recoveries of boron could be achieved while measurements were free of spectral and non-spectral interferences. Finally, cell-associated boron in the form of 4-borono-l-phenylalanine (l-BPA) in vascular endothelial cell cultures could be determined with ICP-MS as (1.26 +/- 0.10) x 10(9) boron atoms per cell. The developed method can prove its importance for further BNCT research and elemental analysis of cell cultures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000629283400009 Publication Date 2021-01-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited Open Access (down) Not_Open_Access  
  Notes Approved Most recent IF: 3.379  
  Call Number UA @ admin @ c:irua:177656 Serial 8435  
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