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Author Bottari, F.; Daems, E.; de Vries, A.-M.; Van Wielendaele, P.; Trashin, S.; Blust, R.; Sobott, F.; Madder, A.; Martins, J.C.; De Wael, K.
  Title Do aptamers always bind? The need for a multifaceted analytical approach when demonstrating binding affinity between aptamer and low molecular weight compounds Type A1 Journal article
  Year 2020 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 142 Issue 46 Pages jacs.0c08691-19630
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Medical Biochemistry
  Abstract In this manuscript, we compare different analytical methodologies to validate or disprove the binding capabilities of aptamer sequences. This was prompted by the lack of a universally accepted and robust quality control protocol for the characterization of aptamer performances coupled with the observation of independent yet inconsistent data sets in the literature. As an example, we chose three aptamers with a reported affinity in the nanomolar range for ampicillin, a β-lactam antibiotic, used as biorecognition elements in several detection strategies described in the literature. Application of a well-known colorimetric assay based on aggregation of gold nanoparticles (AuNPs) yielded conflicting results with respect to the original report. Therefore, ampicillin binding was evaluated in solution using isothermal titration calorimetry (ITC), native nano-electrospray ionization mass spectrometry (native nESI-MS), and 1H-nuclear magnetic resonance spectroscopy (1H NMR). By coupling the thermodynamic data obtained with ITC with the structural information on the binding event given by native nESI-MS and 1H NMR we could verify that none of the ampicillin aptamers show any specific binding with their intended target. The effect of AuNPs on the binding event was studied by both ITC and 1H NMR, again without providing positive evidence of ampicillin binding. To validate the performance of our analytical approach, we investigated two well-characterized aptamers for cocaine/quinine (MN4), chosen for its nanomolar range affinity, and l-argininamide (1OLD) to show the versatility of our approach. The results clearly indicate the need for a multifaceted analytical approach, to unequivocally establish the actual detection potential and performance of aptamers aimed at small organic molecules.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000592911000024 Publication Date 2020-11-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 15 Times cited Open Access
  Notes Approved Most recent IF: 15; 2020 IF: 13.858
  Call Number UA @ admin @ c:irua:173136 Serial 6488
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Author Pauwels, D.; Geboes, B.; Hereijgers, J.; Choukroun, D.; De Wael, K.; Breugelmans, T.
  Title The application of an electrochemical microflow reactor for the electrosynthetic aldol reaction of acetone to diacetone alcohol Type A1 Journal article
  Year 2017 Publication Chemical engineering research and design Abbreviated Journal Chem Eng Res Des
  Volume 128 Issue Pages 205-213
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract The design and application of an electrochemical micro-flow reactor for the aldol reaction of acetone to diacetone alcohol (DAA) is reported. The modular reactor could be readily disassembled and reassembled to change the electrodes, incorporate a membrane and remove possible obstructions. The productivity and efficiency was quantified. Using a platinum deposit as electrocatalyst or an inert glassy carbon electrode as working electrode, the maximum obtainable equilibrium concentration of ±15 m% was reached after a single pass up to a flow rate of 8 ml min−1, yielding 0.57 g min−1 DAA (3.46 mmol cm−3 min−1) at an efficiency of 0.33 g C−1 on platinum and 0.50 g min−1 (3.04 mmol cm−3 min−1) at 1.20 g C−1 on glassy carbon. Note that no optimisation studies have been made in the present paper.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000424736500018 Publication Date 2017-10-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0263-8762 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.538 Times cited 2 Open Access
  Notes ; The authors would like to thank Bert De Mot for assisting with the measurements. Jonas Hereijgers greatly acknowledges the Research Foundation – Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). ; Approved Most recent IF: 2.538
  Call Number UA @ admin @ c:irua:146943 Serial 5871
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Author Pauwels, D.; Hereijgers, J.; Verhulst, K.; De Wael, K.; Breugelmans, T.
  Title Investigation of the electrosynthetic pathway of the aldol condensation of acetone Type A1 Journal article
  Year 2016 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
  Volume 289 Issue Pages 554-561
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract The potential-controlled electrochemical aldol condensation of acetone to diacetone alcohol in a standard batch electrolysis set-up was studied in this work. It is confirmed that the reaction proceeds at the cathode and that, contrary to what is mentioned in earlier literature, water in the electrolyte has a disadvantageous effect on the reaction. Similar to the chemical reaction, the electrochemical reaction reaches a maximum yield when the equilibrium is reached. Separating the anode and cathode prevents cross-over and degradation of products, leading to a higher yield. Starting with pure acetone and support electrolyte, it was possible to obtain a diacetone alcohol concentration of 15 m% after two hours electrolysis in a divided set-up with a platinum electrode at -2.5 V. The concentration gradient throughout the electrolysis follows an exponential curve up to its equilibrium concentration.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000371559900061 Publication Date 2016-01-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.216 Times cited 6 Open Access
  Notes ; ; Approved Most recent IF: 6.216
  Call Number UA @ admin @ c:irua:130396 Serial 5675
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Author Pauwels, D.; Pilehvar, S.; Geboes, B.; Hubin, A.; De Wael, K.; Breugelmans, T.
  Title A new multisine-based impedimetric aptasensing platform Type A1 Journal article
  Year 2016 Publication Electrochemistry communications Abbreviated Journal Electrochem Commun
  Volume 71 Issue Pages 23-27
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract In this work an aptamer-based biosensor is combined with a multisine electrochemical impedance spectroscopy sensing methodology into a novel and promising biosensing strategy. Employing a multisine instead of a traditional single sine measuring method allows the detection and quantification of parameters that provide information about the accuracy and reliability of the results, such as noise and distortions. This does not only lead to a shorter measurement time, but it also enables an easy and fast evaluation of the quality of the data and fitting, leading to more accurate results.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000383445000006 Publication Date 2016-07-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1388-2481; 1873-1902 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.396 Times cited 1 Open Access
  Notes ; ; Approved Most recent IF: 4.396
  Call Number UA @ admin @ c:irua:134765 Serial 5746
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Author Alvarez-Martin, A.; Kavich, G.
  Title SPME-GC–MS for the off-gassing analysis of a complex museum object Type A1 Journal article
  Year 2021 Publication Microchemical Journal Abbreviated Journal Microchem J
  Volume 167 Issue Pages 106276
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract The identification of volatile organic compounds (VOCs) emitted by a complex museum object, composed of materials of different nature, has been optimized by solid-phase microextraction coupled to gas chromatography-mass spectrometry (SPME-GC–MS). The performance of two fiber coatings and four sampling times were tested and compared in order to define the best sampling conditions. The method allowed a fair extraction of volatile and semivolatile compounds emitted naturally by the object, without any type of accelerating aging. In addition, on-fiber derivatization was applied to improve the extraction efficiency and reduce the sampling time of harmful carboxylic acids emitted by the object. The results obtained are of prime importance to show the off-gassing activity of a valuable museum object in order to take further decisions related with its storage and display conditions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000662640500001 Publication Date 2021-04-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.034 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 3.034
  Call Number UA @ admin @ c:irua:181924 Serial 8577
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Author Barich, H.; Cánovas, R.; De Wael, K.
  Title Electrochemical identification of hazardous phenols and their complex mixtures in real samples using unmodified screen-printed electrodes Type A1 Journal article
  Year 2022 Publication Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. Abbreviated Journal J Electroanal Chem
  Volume 904 Issue Pages 115878
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract The electrochemical behavior of some of the most relevant endocrine-disrupting phenols using unmodified carbon screen-printed electrodes (SPEs) is described for the first time. Experiments were made to assess the electrochemical behavior of phenol (PHOH), pentachlorophenol (PCP), 4-tert octylphenol (OP) and bisphenol A (BPA) and their determination in the most favorable conditions, using voltammetric methods such as cyclic voltammetry (CV), linear sweep voltammetry (LSV) and square wave voltammetry (SWV) in Britton Robinson (BR) buffer. Further, the usefulness of the electrochemical approach was validated with real samples from a local river and was compared to commercial phenols test kit, which is commonly used for on-site screening in industrial streams and wastewaters. Finally, the approach was compared with a lab-bench standard method using real samples, i.e., high-performance liquid chromatography with a photodiode array detector (HPLC-DAD).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000741151200005 Publication Date 2021-11-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1572-6657; 1873-2569 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.5 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.5
  Call Number UA @ admin @ c:irua:184384 Serial 7150
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Author Parrilla, M.; Joosten, F.; De Wael, K.
  Title Enhanced electrochemical detection of illicit drugs in oral fluid by the use of surfactant-mediated solution Type A1 Journal article
  Year 2021 Publication Sensors And Actuators B-Chemical Abbreviated Journal Sensor Actuat B-Chem
  Volume 348 Issue Pages 130659
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Illicit drug consumption is a worldwide worrying phenomenon that troubles modern society. For this reason, law enforcement agencies (LEAs) are placing tremendous efforts into tackling the spreading of such substances among our community. New sensing technologies can facilitate the LEAs duties by providing portable and affordable analytical devices. Herein, we present for the first time a sensitive and low-cost electrochemical method, i.e. square-wave adsorptive stripping voltammetry on carbon screen-printed electrodes (SPE), for the detection of five illicit drugs (i.e. cocaine, heroin, 3,4-methylenedioxymethamphetamine, 4-chloro-alpha-pyrrolidinovalerophenone, and ketamine) in oral fluid by the aid of a surfactant. Particularly, the surfactant is adsorbed at the carbon electrode’s surface and yields the adsorption of illicit drug molecules, allowing for an enhanced electrochemical signal in comparison to surfactant-free media. First, the surfactant-mediated behavior is deeply explored at the SPE by cyclic voltammetry, electrochemical impedance spectroscopy, and Fourier-transform infrared spectroscopy. Subsequently, the electrochemical behavior of the five illicit drugs is studied and optimized to render optimal analytical performance. Accordingly, the analytical system exhibited a wide linear concentration range from 1 to 30 µM with sub-micromolar limits of detection and high sensitivity. This performance is similar to other reported electrochemical sensors, but with the advantage of using an unmodified SPE, thus avoiding costly and complex functionalization of the SPE. Finally, the methodology was evaluated in diluted oral fluid samples spiked with illicit drugs. Overall, this work describes a simple, rapid, portable, and sensitive method for the detection of illicit drugs aiming to provide oral fluid testing opportunities to LEAs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000701915600005 Publication Date 2021-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 5.401
  Call Number UA @ admin @ c:irua:181307 Serial 7912
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Author Castanheiro, A.; Joos, P.; Wuyts, K.; De Wael, K.; Samson, R.
  Title Leaf-deposited semi-volatile organic compounds (SVOCs) : an exploratory study using GCxGC-TOFMS on leaf washing solutions Type A1 Journal article
  Year 2019 Publication Chemosphere Abbreviated Journal Chemosphere
  Volume 214 Issue 214 Pages 103-110
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Airborne particulate matter (PM) includes semi-volatile organic compounds (SVOCs), which can be deposited on vegetation matrices such as plant leaves. In alternative to air-point measurements or artificial passive substrates, leaf monitoring offers a cost-effective, time-integrating means of assessing local air quality. In this study, leaf washing solutions from ivy (Hedera hibernica) leaves exposed during one-month at different land use classes were explored via comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GCxGC-TOFMS). The composition of leaf-deposited SVOCs, corrected for those of unexposed leaves, was compared against routinely monitored pollutants concentrations (PM10, PM2.5, O3, NO2, SO2) measured at co-located air monitoring stations. The first study on leaf-deposited SVOCs retrieved from washing solutions, herein reported, delivered a total of 911 detected compounds. While no significant land use (rural, urban, industrial, traffic, mixed) effects were observed, increasing exposure time (from one to 28 days) resulted in a higher number and diversity of SVOCs, suggesting cumulative time-integration to be more relevant than local source variations between sites. After one day, leaf-deposited SVOCs were mainly due to alcohols, N-containing compounds, carboxylic acids, esters and lactones, while ketones, diketones and hydrocarbons compounds gained relevance after one week, and phenol compounds after one month. As leaf-deposited SVOCs became overall more oxidized throughout exposure time, SVOCs transformation or degradation at the leaf surface is suggested to be an important phenomenon. This study confirmed the applicability of GCxGC-TOFMS to analyze SVOCs from leaf washing solutions, further research should include validation of the methodology and comparison with atmospheric organic pollutants.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000449891300013 Publication Date 2018-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0045-6535; 1879-1298 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.208 Times cited Open Access
  Notes ; The authors thank the Flemish Environment Agency (VMM) for their collaboration and air quality data; Sam Dekkers and Jonathan Van Waeyenbergh for their help with sample collection. The study was performed using a study set-up funded by the Special Research Fund of the University of Antwerp (KPBOF 2014, no. FFB 140090 'Tree leaf surface properties as dynamic drivers of particulate matter-leaf interaction and phyllosphere microbial communities'). A.C. acknowledges the Research Foundation Flanders (FWO) for her SB PhD fellowship. ; Approved Most recent IF: 4.208
  Call Number UA @ admin @ c:irua:153509 Serial 5692
Permanent link to this record
 

 
Author Moro, G.; Bottari, F.; Liberi, S.; Covaceuszach, S.; Cassetta, A.; Angelini, A.; De Wael, K.; Moretto, L.M.
  Title Covalent immobilization of delipidated human serum albumin on poly(pyrrole-2-carboxylic) acid film for the impedimetric detection of perfluorooctanoic acid Type A1 Journal article
  Year 2020 Publication Bioelectrochemistry Abbreviated Journal Bioelectrochemistry
  Volume 134 Issue Pages 107540
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The immobilization of biomolecules at screen printed electrodes for biosensing applications is still an open challenge. To enrich the toolbox of bioelectrochemists, graphite screen printed electrodes (G-SPE) were modified with an electropolymerized film of pyrrole-2-carboxilic acid (Py-2-COOH), a pyrrole derivative rich in carboxylic acid functional groups. These functionalities are suitable for the covalent immobilization of biomolecular recognition layers. The electropolymerization was first optimized to obtain stable and conductive polymeric films, comparing two different electrolytes: sodium dodecyl sulphate (SDS) and sodium perchlorate. The G-SPE modified with Py-2-COOH in 0.1 M SDS solution showed the required properties and were further tested. A proof-of-concept study for the development of an impedimetric sensor for perfluorooctanoic acid (PFOA) was carried out using the delipidated human serum albumin (hSA) as bioreceptor. The data interpretation was supported by size exclusion chromatography and small-angle X-ray scattering (SEC-SAXS) analysis of the bioreceptor-target complex and the preliminary results suggest the possibility to further develop this biosensing strategy for toxicological and analytical studies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000579727300004 Publication Date 2020-04-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1567-5394 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5 Times cited Open Access
  Notes Approved Most recent IF: 5; 2020 IF: 3.346
  Call Number UA @ admin @ c:irua:172494 Serial 6477
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Author Parrilla, M.; Montiel, F.N.; Van Durme, F.; De Wael, K.
  Title Derivatization of amphetamine to allow its electrochemical detection in illicit drug seizures Type A1 Journal article
  Year 2021 Publication Sensors And Actuators B-Chemical Abbreviated Journal Sensor Actuat B-Chem
  Volume 337 Issue Pages 129819
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Amphetamine (AMP) is posing critical issues in our society being one of the most encountered drugs-of-abuse in the current illicit market. The continuous drug production in Europe urges the development of new tools for the rapid on-site determination of illicit drugs such as AMP. However, the direct electrochemical detection of AMP is a challenge because the molecule is non-electroactive at the potential window of conventional graphite SPEs. For this reason, a derivatization step is needed to convert the primary amine into an electroactive oxidizable group. Herein, the rapid electrochemical detection of AMP in seized samples based on the derivatization by 1,2-naphthoquinone-4-sulfonate (NQS) is presented by using square wave voltammetry (SWV) at graphite screen-printed electrodes (SPEs). First, a detailed optimization of the key parameters and the analytical performance is provided. The method showed a sensitivity of 7.9 µA mM-1 within a linear range from 50 to 500 µM, a limit of detection of 22.2 µM, and excellent reproducibility (RSD = 4.3%, n = 5 at 500 µM). Subsequently, the effect of NQS on common cutting agents for the selective detection of AMP is addressed. The comparison of the method with drugs-of-abuse containing secondary and tertiary amines confirms the selectivity of the method. Finally, the concept is applied to quantify AMP in 20 seized samples provided by forensic laboratories, exhibiting an accuracy of 97.3 ± 10.5%. Overall, the fast analysis of samples with the electrochemical profiling of derivatized AMP exhibits a straightforward on-site screening aiming to facilitate the tasks of law enforcement agents in the field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000640386500001 Publication Date 2021-03-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 5.401
  Call Number UA @ admin @ c:irua:176353 Serial 7762
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Author Liu, Y.; Cánovas, R.; Crespo, G.A.; Cuartero, M.
  Title Thin-layer potentiometry for creatinine detection in undiluted human urine using ion-exchange membranes as barriers for charged interferences Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem
  Volume 92 Issue 4 Pages 3315-3323
  Keywords (down) A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Herein, thin-layer potentiometry combined with ion-exchange membranes as barriers for charged interferences is demonstrated for the analytical detection of creatinine (CRE) in undiluted human urine. Briefly, CRE diffuses through an anion-exchange membrane (AEM) from a sample contained in one fluidic compartment to a second reservoir, containing the enzyme CRE deiminase. There, CRE reacts with the enzyme, and the formation of ammonium is dynamically monitored by potentiometric ammonium-selective electrodes. This analytical concept is integrated into a lab-on-a-chip microfluidic cell that allows for a high sample throughput and the operation under stop-flow mode, which allows CRE to passively diffuse across the AEM. Conveniently, positively charged species (i.e., potassium, sodium, and ammonium, among others) are repelled by the AEM and never reach the ammonium-selective electrodes; thus, possible interference in the response can be avoided. As a result, the dynamic potential response of the electrodes is entirely ascribed to the stoichiometric formation of ammonium. The new CRE biosensor exhibits a Nernstian slope, within a linear range of response from 1 to 50 mM CRE concentration. As expected, the response time (15–60 min) primarily depends on the CRE diffusion across the AEM. CRE analysis in urine samples displayed excellent results, without requiring sample pretreatment (before the introduction of the sample in the microfluidic chip) and with high compatibility with development into a potential point-of-care clinical tool. In an attempt to decrease the analysis time, the presented analytical methodology for CRE detection is translated into an all-solid-state platform, in which the enzyme is immobilized on the surface of the ammonium-selective electrode and with the AEM on top. While more work is necessary in this direction, the CRE sensor appears to be promising for CRE analysis in both urine and blood.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2020-01-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record
  Impact Factor 7.4 Times cited Open Access
  Notes Approved Most recent IF: 7.4; 2020 IF: 6.32
  Call Number UA @ admin @ c:irua:184380 Serial 8667
Permanent link to this record
 

 
Author Gestels, A.; Van der Snickt, G.; Caen, J.; Nuyts, G.; Legrand, S.; Vanmeert, F.; Detry, F.; Janssens, K.; Steenackers, G.
  Title Combined MA-XRF, MA-XRPD and SEM-EDX analysis of a medieval stained-glass panel formerly from Notre Dame, Paris reveals its material history Type A1 Journal article
  Year 2022 Publication Microchemical journal Abbreviated Journal Microchem J
  Volume 177 Issue Pages 107304
  Keywords (down) A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract As part of its conservation-restoration, the 13th century stained-glass panel ‘the Annunciation’, was examined at the micro- and macro level. This window, since 1898 in the collection of the Museum Mayer Van den Bergh (Antwerp, B), was formerly a part of the southern Rose window of the Notre Dame Cathedral (Paris, F). The insigths emerging from a first phase of the analysis, comprising non-invasive analysis techniques such as optical microscopy combined with macroscopic X-ray fluorescence (MA-XRF) and X-ray diffraction (MA-XRPD) mapping, were used to select sampling positions for the second phase of investigation that involved micro-invasive analysis, namely scanning-electron microscopy coupled to energy-dispersive X-ray analysis (SEM-EDX). The aim of the investigation was fourfold: (1) to assess the applicability of MA-XRF scanning for the characterisation of stained glass windows prior to any conservation or restoration procedure, (2) to assess the applicability of MA-XRPD scanning to identify the degradation products formed on the surface of stained glass windows, (3) to establish a method to limit the set of sampled glass fragments taken from a glass panel for quantititive analysis while maintaining sufficient representativeness and (4) to distinguish the original glass panes and grisaille paint from non-original glass panes that were inserted during various past interventions. Most of the panes in this window proved to consist of medieval potash glass, consistent with the 13th c. origin of the window while a limited number of panes were identified as non-original infills, with divergent glass compositional types and/or colorants. Most panes derive their color from the pot metal glass (i.e. homogenously colored) they were made of. Some of the panes that originally had a red flashed layer on their surface, completely or partially lost this layer due to weathering. Three main compositional glass families with similar color could be defined. With the exception of the yellow and orange panes, the chromophoric elements responsible for the dark(er) and light(er) blue (Co), green (Cu), purple (Mn) and red colors (Cu) were identified. Two different grisaille paints were encountered, part of which were restored during the 19th century. On the basis of this information, all missing pieces were replaced by glass panes with appropriate colors and the panel could be successfully conserved to its former glory. On the surface of several panes, typical glass degradation products such as calcite, syngenite and gypsum were identified, together with lead based degradation products such as anglesite and palmierite. In addition, the presence of hematite and melanotekite in the grisailles was observed; also the presence of Zn, uncorrelated to Cu, in the grissailes on the right side of the window became apparent.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000850000900001 Publication Date 2022-02-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.8
  Call Number UA @ admin @ c:irua:187493 Serial 7138
Permanent link to this record
 

 
Author Zhang, Y.; Sahoo, P.K.; Ren, P.; Qin, Y.; Cauwenbergh, R.; Nimmegeers, P.; Gandhi, S.R.; Van Passel, S.; Guidetti, A.; Das, S.
  Title Transition metal-free approach for the late-stage benzylic C(sp3)-H etherifications and esterifications Type A1 Journal article
  Year 2022 Publication Chemical Communications Abbreviated Journal Chem Commun
  Volume 58 Issue 81 Pages 11454-11457
  Keywords (down) A1 Journal article; Engineering Management (ENM); Organic synthesis (ORSY); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
  Abstract Herein, we report a transition metal-free approach for the regioselective functionalisation of benzylic C(sp3)-H bonds using alcohols and carboxylic acids as the nucleophiles. This approach provides a straightforward route for the synthesis of various benzylic ethers and esters to provide a wide generality of this system. Expediently, twelve pharmaceutically relevant compounds have been synthesized using this strategy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000857171200001 Publication Date 2022-09-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1359-7345; 1364-548x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.9 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.9
  Call Number UA @ admin @ c:irua:190191 Serial 7372
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Author Calizzi, M.; Venturi, F.; Ponthieu, M.; Cuevas, F.; Morandi, V.; Perkisas, T.; Bals, S.; Pasquini, L.
  Title Gas-phase synthesis of Mg-Ti nanoparticles for solid-state hydrogen storage Type A1 Journal article
  Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 18 Issue 18 Pages 141-148
  Keywords (down) A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
  Abstract Mg-Ti nanostructured samples with different Ti contents were prepared via compaction of nanoparticles grown by inert gas condensation with independent Mg and Ti vapour sources. The growth set-up offered the option to perform in situ hydrogen absorption before compaction. Structural and morphological characterisation was carried out by X-ray diffraction, energy dispersive spectroscopy and electron microscopy. The formation of an extended metastable solid solution of Ti in hcp Mg was detected up to 15 at% Ti in the as-grown nanoparticles, while after in situ hydrogen absorption, phase separation between MgH2 and TiH2 was observed. At a Ti content of 22 at%, a metastable Mg-Ti-H fcc phase was observed after in situ hydrogen absorption. The co-evaporation of Mg and Ti inhibited nanoparticle coalescence and crystallite growth in comparison with the evaporation of Mg only. In situ hydrogen absorption was beneficial to subsequent hydrogen behaviour, studied by high pressure differential scanning calorimetry and isothermal kinetics. A transformed fraction of 90% was reached within 100 s at 300 degrees C during both hydrogen absorption and desorption. The enthalpy of hydride formation was not observed to differ from bulk MgH2.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000368755500014 Publication Date 2015-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 31 Open Access Not_Open_Access
  Notes ; Part of this work was supported by the COST Action MP1103 “Nanostructured materials for solid-state hydrogen storage”. ; Approved Most recent IF: 4.123
  Call Number UA @ lucian @ c:irua:131589 Serial 4184
Permanent link to this record
 

 
Author Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C.
  Title Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease Type A1 Journal article
  Year 2005 Publication International Journal Of Quantum Chemistry Abbreviated Journal Int J Quantum Chem
  Volume 105 Issue 3 Pages 292-299
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000232232300009 Publication Date 2005-07-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.92 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.92; 2005 IF: 1.192
  Call Number UA @ lucian @ c:irua:54919 Serial 30
Permanent link to this record
 

 
Author Lamoen, D.; Persson, B.N.J.
  Title Adsorption of potassium and oxygen on graphite: a theoretical study Type A1 Journal article
  Year 1998 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
  Volume 108 Issue Pages 3332-3341
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000074379600032 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 91 Open Access
  Notes Approved Most recent IF: 2.965; 1998 IF: 3.147
  Call Number UA @ lucian @ c:irua:19420 Serial 64
Permanent link to this record
 

 
Author Howard, I.A.; Zutterman, F.; Deroover, G.; Lamoen, D.; van Alsenoy, C.
  Title Approaches to calculation of exciton interaction energies for a molecular dimer Type A1 Journal article
  Year 2004 Publication Journal Of Physical Chemistry B Abbreviated Journal J Phys Chem B
  Volume 108 Issue Pages 19155-19162
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000225695100015 Publication Date 2004-12-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.177 Times cited 35 Open Access
  Notes Approved Most recent IF: 3.177; 2004 IF: 3.834
  Call Number UA @ lucian @ c:irua:50259 Serial 147
Permanent link to this record
 

 
Author Lamoen, D.; Parrinello, M.
  Title Geometry and electronic structure of porphyrines and porphyrazines Type A1 Journal article
  Year 1996 Publication Chemical Physics Letters Abbreviated Journal Chem Phys Lett
  Volume 248 Issue Pages 309
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1996TR41900002 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 46 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 88/144 Q3 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 19/35 Q3 #
  Call Number UA @ lucian @ c:irua:15821 Serial 1329
Permanent link to this record
 

 
Author Lamoen, D.; March, N.H.
  Title Gradient expansion and beyond for stress tensor and tangential pressure deficit through a planar liquid-vapour interface Type A1 Journal article
  Year 2000 Publication Physics And Chemistry Of Liquids Abbreviated Journal Phys Chem Liq
  Volume 38 Issue Pages 495-504
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000087986300011 Publication Date 2007-07-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.145 Times cited 1 Open Access
  Notes Approved Most recent IF: 1.145; 2000 IF: 0.267
  Call Number UA @ lucian @ c:irua:27831 Serial 1362
Permanent link to this record
 

 
Author Soldatov, A.V.; Lamoen, D.; Konstantinović, M.J.; van den Berghe, S.; Scheinost, A.C.; Verwerft, M.
  Title Local structure and oxidation state of uranium in some ternary oxides: X-ray absorption analysis Type A1 Journal article
  Year 2007 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem
  Volume 180 Issue 1 Pages 54-61
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000243951900008 Publication Date 2006-09-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 60 Open Access
  Notes Approved Most recent IF: 2.299; 2007 IF: 2.149
  Call Number UA @ lucian @ c:irua:61579 Serial 1831
Permanent link to this record
 

 
Author Leys, F.E.; March, N.H.; Lamoen, D.
  Title Relativistic virial relations for both homogeneous and spatially varying electron liquids Type A1 Journal article
  Year 2004 Publication Physics And Chemistry Of Liquids Abbreviated Journal Phys Chem Liq
  Volume 42 Issue Pages 423-431
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000222750800010 Publication Date 2004-07-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record;
  Impact Factor 1.145 Times cited Open Access
  Notes Approved Most recent IF: 1.145; 2004 IF: 0.478
  Call Number UA @ lucian @ c:irua:47379 Serial 2862
Permanent link to this record
 

 
Author Alonso, J.A.; López, M.J.; March, N.H.; Lamoen, D.
  Title Some properties of a model liquid of C60 buckyballs Type A1 Journal article
  Year 2002 Publication Physics And Chemistry Of Liquids Abbreviated Journal Phys Chem Liq
  Volume 40 Issue Pages 457
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000178012900008 Publication Date 2004-04-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9104;1029-0451; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.145 Times cited 4 Open Access
  Notes Approved Most recent IF: 1.145; 2002 IF: 0.533
  Call Number UA @ lucian @ c:irua:41407 Serial 3055
Permanent link to this record
 

 
Author Leys, F.E.; March, N.H.; Lamoen, D.
  Title Thermodynamic consistency and integral equations for the liquid structure Type A1 Journal article
  Year 2002 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
  Volume 117 Issue Pages 10726
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000179495000031 Publication Date 2002-12-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record;
  Impact Factor 2.965 Times cited Open Access
  Notes Approved Most recent IF: 2.965; 2002 IF: 2.998
  Call Number UA @ lucian @ c:irua:41406 Serial 3634
Permanent link to this record
 

 
Author Nourbakhsh, A.; Cantoro, M.; Klekachev, A.; Clemente, F.; Sorée, B.; van der Veen, M.H.; Vosch, T.; Stesmans, A.; Sels, B.; de Gendt, S.
  Title Tuning the Fermi level of SiO2-supported single-layer graphene by thermal annealing Type A1 Journal article
  Year 2010 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C
  Volume 114 Issue 5 Pages 6894-6900
  Keywords (down) A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract The effects of thermal annealing in inert Ar gas atmosphere of SiO2-supported, exfoliated single-layer graphene are investigated in this work. A systematic, reproducible change in the electronic properties of graphene is observed after annealing. The most prominent Raman features in graphene, the G and 2D peaks, change in accord to what is expected in the case of hole doping. The results of electrical characterization performed on annealed, back-gated field-effect graphene devices show that the neutrality point voltage VNP increases monotonically with the annealing temperature, confirming the occurrence of excess hole accumulation. No degradation of the structural properties of graphene is observed after annealing at temperatures as high as 400 °C. Thermal annealing of single-layer graphene in controlled Ar atmosphere can therefore be considered a technique to reproducibly modify the electronic structure of graphene by tuning its Fermi level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000276562500002 Publication Date 2010-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 54 Open Access
  Notes Approved Most recent IF: 4.536; 2010 IF: 4.524
  Call Number UA @ lucian @ c:irua:89508 Serial 3757
Permanent link to this record
 

 
Author Barreca, D.; Gri, F.; Gasparotto, A.; Altantzis, T.; Gombac, V.; Fornasiero, P.; Maccato, C.
  Title Insights into the Plasma-Assisted Fabrication and Nanoscopic Investigation of Tailored MnO2Nanomaterials Type A1 Journal Article
  Year 2018 Publication Inorganic Chemistry Abbreviated Journal Inorg Chem
  Volume 57 Issue 23 Pages 14564-14573
  Keywords (down) A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Among transition metal oxides, MnO2 is of considerable importance for various technological end-uses,from heterogeneous catalysis to gas sensing, owing to its

structural flexibility and unique properties at the nanoscale. In this work, we demonstrate the successful fabrication of supported MnO2 nanomaterials by a catalyst-free, plasmaassisted process starting from a fluorinated manganese(II)

molecular source in Ar/O2 plasmas. A thorough multitechnique characterization aimed at the systematic investigation of material structure, chemical composition, and

morphology revealed the formation of F-doped, oxygendeficient, MnO2-based nanomaterials, with a fluorine content tunable as a function of growth temperature (TG). Whereas phase-pure β-MnO2 was obtained for 100 °C ≤ TG ≤ 300 °C, the formation of mixed phase MnO2 + Mn2O3 nanosystems took place at 400 °C. In addition, the system nano-organization could be finely tailored, resulting in a controllable evolution from wheat-ear columnar arrays to high aspect ratio pointed-tip nanorod assemblies. Concomitantly, magnetic force microscopy analyses suggested the formation of spin domains with features dependent on material morphology. Preliminary tests in Vislight activated photocatalytic degradation of rhodamine B aqueous solutions pave the way to possible applications of the target materials in wastewater purification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000452344400016 Publication Date 2018-12-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited Open Access Not_Open_Access
  Notes The present work was financially supported by Padova University DOR 2016−2018 and P-DiSC #03BIRD2016- UNIPD projects. T.A. acknowledges a postdoctoral grant from the Research Foundation Flanders (FWO). Thanks are also due to Prof. Sara Bals (EMAT, University of Antwerp, Belgium) and to Dr. Giorgio Carraro (Department of Chemical Sciences, Padova University, Italy) for valuable support and experimental assistance. Approved Most recent IF: 4.857
  Call Number EMAT @ emat @c:irua:156245 Serial 5147
Permanent link to this record
 

 
Author Wang, J.; Zhang, K.; Kavak, S.; Bals, S.; Meynen, V.
  Title Modifying the Stöber Process: Is the Organic Solvent Indispensable? Type A1 Journal Article
  Year 2022 Publication Chemistry-A European Journal Abbreviated Journal Chem-Eur J
  Volume Issue Pages
  Keywords (down) A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract The Stöber method is one of the most important and fundamental processes for the synthesis of inorganic (nano)materials but has the drawback of using a large amount of organic solvent. Herein, ethanol was used as an example to explore if the organic solvent in a typical Stöber method can be omitted. It was found that ethanol increases the particle size of the obtained silica spheres and aids the formation of uniform silica particles rather than forming a gel. Nevertheless, the results indicated that an organic solvent in the initial synthesis mixture is not indispensable. An initially immiscible synthesis method was discovered, which can replace the organic solvent-based Stöber method to successfully synthesize silica particles with the same size ranges as the original Stöber process without addition of organic solvents. Moreover, this process can be of further value for the extension to synthesis processes of other materials based on the Stöber process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000898283500001 Publication Date 2022-12-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0947-6539 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.3 Times cited 3 Open Access OpenAccess
  Notes The authors are grateful to Alexander Vansant and Dr. Steven Mullens of VITO for their contributions to the DLS measurements in this paper. J.W acknowledges the State Scholarship funded by the China Scholarship Council (201806060123). K.Z acknowledges the EASiCHEM project funded by the Flemish Strategic Basic Research Program of the Catalisti cluster and Flanders Innovation & Entrepreneurship (HBC.2018.0484). S.K acknowledges the Flemish Fund for Scientific Research (FWO Flanders) through a PhD research grant (1181122N). Approved Most recent IF: 4.3
  Call Number EMAT @ emat @c:irua:191646 Serial 7233
Permanent link to this record
 

 
Author Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V.
  Title Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites Type A1 Journal Article
  Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
  Volume 127 Issue 48 Pages 23400-23411
  Keywords (down) A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001116862000001 Publication Date 2023-12-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; Approved Most recent IF: 3.7; 2023 IF: 4.536
  Call Number EMAT @ emat @c:irua:202124 Serial 8985
Permanent link to this record
 

 
Author Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S.
  Title Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling Type A1 Journal Article
  Year 2023 Publication The Journal of Physical Chemistry C Abbreviated Journal J. Phys. Chem. C
  Volume 127 Issue 47 Pages 23023-23033
  Keywords (down) A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001111637100001 Publication Date 2023-11-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). Approved Most recent IF: 3.7; 2023 IF: 4.536
  Call Number EMAT @ emat @c:irua:201671 Serial 8974
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Author Vandemeulebroucke, D.; Batuk, M.; Hajizadeh, A.; Wastiaux, M.; Roussel, P.; Hadermann, J.
  Title Incommensurate Modulations and Perovskite Growth in LaxSr2–xMnO4−δAffecting Solid Oxide Fuel Cell Conductivity Type A1 Journal Article
  Year 2024 Publication Chemistry of Materials Abbreviated Journal Chem. Mater.
  Volume Issue Pages
  Keywords (down) A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Ruddlesden-Popper La????Sr2−????MnO4−???? materials are interesting symmetric solid oxide

fuel cell electrodes due to their good redox stability, mixed ionic and electronic conducting behavior and thermal expansion that matches well with common electrolytes. In reducing environments – as at a solid oxide fuel cell anode – the x = 0.5 member, i.e. La0.5Sr1.5MnO4−????, has a much higher total conductivity than compounds with a different La/Sr ratio, although all those compositions have the same K2NiF4-type I4/mmm structure. The origin for this conductivity difference is not yet known in literature. Now, a combination of in-situ and ex-situ 3D electron diffraction, high-resolution imaging, energy-dispersive X-ray analysis and electron energy-loss spectroscopy uncovered clear differences between x=0.25 and x=0.5 in the pristine structure, as well as in the transformations upon high-temperature reduction. In La0.5Sr1.5MnO4−????, Ruddlesden-Popper n=2 layer defects and an amorphous surface layer are present, but not in La0.25Sr1.75MnO4−????. After annealing at 700°C in 5% H2/Ar, La0.25Sr1.75MnO4−???? transforms to a tetragonal 2D incommensurately modulated structure with modulation vectors ⃗????1 = 0.2848(1) · (⃗????* +⃗????*) and ⃗????2 =0.2848(1) · (⃗????* – ⃗????*), whereas La0.5Sr1.5MnO4−???? only partially transforms to an orthorhombic 1D incommensurately modulated structure,

with ⃗???? = 0.318(2) · ⃗????*. Perovskite domains grow at the crystal edge at 700°C in 5%

H2 or vacuum, due to the higher La concentration on the surface compared to the bulk, which leads to a different thermodynamic equilibrium. Since it is known that a lower degree of oxygen vacancy ordering and a higher amount of perovskite blocks enhance oxygen mobility, those differences in defect structure and structural transformation upon reduction, might all contribute to the higher conductivity of La0.5Sr1.5MnO4−???? in solid oxide fuel cell anode conditions compared to other La/Sr ratios.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 001174840900001 Publication Date 2024-02-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record
  Impact Factor 8.6 Times cited Open Access Not_Open_Access
  Notes Universiteit Antwerpen, BOF TOP 38689 ; Fonds Wetenschappelijk Onderzoek, I003218N ; European Commission NanED, 956099 ; Approved Most recent IF: 8.6; 2024 IF: 9.466
  Call Number EMAT @ emat @c:irua:204354 Serial 8997
Permanent link to this record
 

 
Author Van Gordon, K.; Ni, B.; Girod, R.; Mychinko, M.; Bevilacqua, F.; Bals, S.; Liz‐Marzán, L.M.
  Title Single Crystal and Pentatwinned Gold Nanorods Result in Chiral Nanocrystals with Reverse Handedness Type A1 Journal Article
  Year 2024 Publication Angewandte Chemie International Edition Abbreviated Journal Angew Chem Int Ed
  Volume Issue Pages
  Keywords (down) A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Handedness is an essential attribute of chiral nanocrystals, having a major influence on their properties. During chemical growth, the handedness of nanocrystals is usually tuned by selecting the corresponding enantiomer of chiral molecules involved in asymmetric growth, often known as chiral inducers. We report that, even using the same chiral inducer enantiomer, the handedness of chiral gold nanocrystals can be reversed by using Au nanorod seeds with either single crystalline or pentatwinned structure. This effect holds for chiral growth induced both by amino acids and by chiral micelles. Although it was challenging to discern the morphological handedness for<italic>L</italic>‐cystine‐directed particles, even using electron tomography, both cases showed circular dichroism bands of opposite sign, with nearly mirrored chiroptical signatures for chiral micelle‐directed growth, along with quasi‐helical wrinkles of inverted handedness. These results expand the chiral growth toolbox with an effect that might be exploited to yield a host of interesting morphologies with tunable optical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2024-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851 ISBN Additional Links
  Impact Factor 16.6 Times cited Open Access
  Notes Ana Sánchez-Iglesias is acknowledged for support in the synthesis of pentatwinned gold nanorods. The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.), from MCIN/AEI/10.13039/501100011033 (Grant PID2020- 117779RB-I00 to L.M.L.-M and FPI Fellowship PRE2021- 097588 to K.V.G.), and by KU Leuven (C14/22/085). This work has been funded by the European Union under Project 101131111—DELIGHT. Funding for open access charge: Universidade de Vigo/ CRUE-CISUG. Approved Most recent IF: 16.6; 2024 IF: 11.994
  Call Number EMAT @ emat @ Serial 9129
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