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Author Joosten, F.; Parrilla, M.; van Nuijs, A.L.N.; Ozoemena, K.Id; De Wael, K. pdf  url
doi  openurl
  Title Electrochemical detection of illicit drugs in oral fluid : potential for forensic drug testing Type A1 Journal article
  Year 2022 Publication Electrochimica acta Abbreviated Journal  
  Volume 2022 Issue 436 Pages 141309-141315  
  Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Illicit drugs continue to pose a serious threat to society and public health. Drug (ab)use is linked to organised crime and violence. Therefore, to fight the so-called war on drugs, police and law enforcement agencies need to be equipped with accurate and efficient sensors for the detection of illicit drugs and drug use. Even though colour tests (for powders) and lateral flow immunoassays (for biological samples) lack accuracy, they are relied upon for fast and easy on-site detection. Alternatively, in recent years, there has been an increasing interest in electrochemical sensors as a promising technique for the rapid and accurate on-site detection of illicit drugs. While a myriad of literature exists on the use of electrochemical sensors for drug powder analysis, literature on their use for the detection of drug use in biological samples is scarce. To this end, this review presents an overview of strategies for the electrochemical detection of illicit drugs in oral fluid. First, pharmacokinetics of drugs in oral fluid and the legal limit dilemma regarding the analytical cut-offs for roadside drug detection tests are elaborated to present the reader with the background knowledge required to develop such a test. Subsequently, an overview of electrochemical strategies developed for the detection of illicit drugs in oral fluid is given. Importantly, key challenges to address in the development of roadside tests are highlighted to improve the design of the next electrochemical devices and to bring them to the field. Overall, electrochemical sensors for illicit drugs detection in oral fluid show promise to disrupt current strategies for roadside testing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000882442300001 Publication Date 2022-10-13  
  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 Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:191107 Serial 8855  
Permanent link to this record
 

 
Author Van Echelpoel, R.; Schram, J.; Parrilla, M.; Daems, D.; Slosse, A.; Van Durme, F.; De Wael, K. url  doi
openurl 
  Title Electrochemical methods for on-site multidrug detection at festivals Type A1 Journal article
  Year 2022 Publication Sensors & Diagnostics Abbreviated Journal  
  Volume 1 Issue 1 Pages 793-802  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Two electrochemical methodologies, i.e. flowchart and dual-sensor, were developed to aid law enforcement present at festivals to obtain a rapid indication of the presence of four illicit drugs in suspicious samples encountered.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2022-06-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:188521 Serial 8856  
Permanent link to this record
 

 
Author Truta, F.; Drăgan, A.-M.; Tertis, M.; Parrilla, M.; Slosse, A.; Van Durme, F.; De Wael, K.; Cristea, C. url  doi
openurl 
  Title Electrochemical rapid detection of methamphetamine from confiscated samples using a graphene-based printed platform Type A1 Journal article
  Year 2023 Publication Sensors Abbreviated Journal  
  Volume 23 Issue 13 Pages 6193-18  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Methamphetamine (MAP) is a highly addictive and illegal stimulant drug that has a significant impact on the central nervous system. Its detection in biological and street samples is crucial for various organizations involved in forensic medicine, anti-drug efforts, and clinical diagnosis. In recent years, nanotechnology and nanomaterials have played a significant role in the development of analytical sensors for MAP detection. In this study, a fast, simple, and cost-effective electrochemical sensor is presented that is used for the sensitive detection of MAP in confiscated street samples with a complex matrix. The optimized screen-printed sensor based on a carbon working electrode modified with graphene demonstrated an excellent limit of detection, good sensitivity, and a wide dynamic range (1–500 μM) for the target illicit drug both for standard solutions and real samples (seized samples, tap water, and wastewater samples). It can detect MAP at concentrations as low as 300 nM in real samples. This limit of detection is suitable for the rapid preliminary screening of suspicious samples in customs, ports, airports, and on the street. Furthermore, the sensor exhibits a good recovery rate, indicating its reliability and repeatability. This quality is crucial for ensuring consistent and accurate results during screening processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001033277900001 Publication Date 2023-07-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1424-8220 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:198181 Serial 8857  
Permanent link to this record
 

 
Author Montiel, F.N.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van Nuijs, A.L.N.; De Wael, K. pdf  url
doi  openurl
  Title Electrochemical sensing of amphetamine-type stimulants (pre)-precursors to fight against the illicit production of synthetic drugs Type A1 Journal article
  Year 2022 Publication Electrochimica acta Abbreviated Journal  
  Volume 436 Issue Pages 141446-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract The illicit drug precursor market for the manufacture of amphetamine-type stimulants (ATS), mainly amphetamine, methamphetamine and methylenedioxymethamphetamine (MDMA), has emerged quickly in the last years. The evidence of a more complex and sophisticated drug market underlines the pressing need for new on-site methods to quickly detect precursors of synthetic drugs, with electrochemical analysis as a promising technique. Herein, the electrochemical fingerprints of ten common ATS precursors-3-oxo-2-phenylbutanenitrile (APAAN), 3-oxo-2-phenylbutanamide (APAA), methyl 3-oxo-2-phenylbutanoate (MAPA), benzyl methyl ketone (BMK), 1-(1,3-benzodioxol-5-yl)propan-2-one (PMK), ephedrine, pseudoephedrine, safrole, sassafras oil and piperonal- are reported for the first time. The electrochemical screening disclosed the redox inactivity of BMK, which is an essential starting material for the production of ATS. Therefore, the local derivatization of BMK at an electrode surface by reductive amination is presented as a feasible solution to enrich its electrochemical fingerprint. To prove that, the resulting mixture was analyzed using a set of chromatographic techniques to understand the reaction mechanism and to identify possible electrochemical active products. Two reaction products (i.e. methamphetamine and 1-phenylpropan-2-ol) were found and characterized using mass spectrometry and electrochemical methods. Subsequently, the optimization of the reaction parameters was carefully addressed to set the portable electrochemical sensing strategy. Ultimately, the analysis concept was validated for the qualitative identification of ATS precursors in seizures from a forensic institute. Overall, the electrochemical approach demonstrates to be a useful and affordable analytical tool for the early identification of ATS precursors to prevent trafficking and drug manufacture in clandestine laboratories.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000914833800003 Publication Date 2022-10-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:191622 Serial 8858  
Permanent link to this record
 

 
Author Vega-Paredes, M.; Aymerich-Armengol, R.; Arenas Esteban, D.; Marti-Sanchez, S.; Bals, S.; Scheu, C.; Manjon, A.G. url  doi
openurl 
  Title Electrochemical stability of rhodium-platinum core-shell nanoparticles : an identical location scanning transmission electron microscopy study Type A1 Journal article
  Year 2023 Publication ACS nano Abbreviated Journal  
  Volume 17 Issue 17 Pages 16943-16951  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Rhodium-platinum core-shell nanoparticleson a carbonsupport (Rh@Pt/C NPs) are promising candidates as anode catalystsfor polymer electrolyte membrane fuel cells. However, their electrochemicalstability needs to be further explored for successful applicationin commercial fuel cells. Here we employ identical location scanningtransmission electron microscopy to track the morphological and compositionalchanges of Rh@Pt/C NPs during potential cycling (10 000 cycles,0.06-0.8 V-RHE, 0.5 H2SO4)down to the atomic level, which are then used for understanding thecurrent evolution occurring during the potential cycles. Our resultsreveal a high stability of the Rh@Pt/C system and point toward particledetachment from the carbon support as the main degradation mechanism.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001051495900001 Publication Date 2023-08-21  
  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 2 Open Access (down) OpenAccess  
  Notes The authors would like to thank C. Bodirsky for providing the samples, N. Rivas Rivas for his corrections on the manuscript, and D. Chatain for providing her expertise on the equilibrium shape of nanoparticles. Special thanks to B. Breitbach for performing the XRD experiments. A.G.M. acknowledges the Grant RYC2021-033479- I funded by MCIN/AEI/10.13039/501100011033 and, as appropriate, by European Union NextGenerationEU/PRTR. Approved Most recent IF: 17.1; 2023 IF: 13.942  
  Call Number UA @ admin @ c:irua:199253 Serial 8859  
Permanent link to this record
 

 
Author Zhang, H.; Jin, Q.; Hu, T.; Liu, X.; Zhang, Z.; Hu, C.; Zhou, Y.; Han, Y.; Wang, X. url  doi
openurl 
  Title Electron-irradiation-facilitated production of chemically homogenized nanotwins in nanolaminated carbides Type A1 Journal article
  Year 2023 Publication Journal of Advanced Ceramics Abbreviated Journal  
  Volume 12 Issue 6 Pages 1288-1297  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Twin boundaries have been exploited to stabilize ultrafine grains and improve mechanical properties of nanomaterials. The production of the twin boundaries and nanotwins is however prohibitively challenging in carbide ceramics. Using a scanning transmission electron microscope as a unique platform for atomic-scale structure engineering, we demonstrate that twin platelets could be produced in carbides by engineering antisite defects. The antisite defects at metal sites in various layered ternary carbides are collectively and controllably generated, and the metal elements are homogenized by electron irradiation, which transforms a twin-like lamellae into nanotwin platelets. Accompanying chemical homogenization, alpha-Ti3AlC2 transforms to unconventional beta-Ti3AlC2. The chemical homogeneity and the width of the twin platelets can be tuned by dose and energy of bombarding electrons. Chemically homogenized nanotwins can boost hardness by similar to 45%. Our results provide a new way to produce ultrathin (< 5 nm) nanotwin platelets in scientifically and technologically important carbide materials and showcase feasibility of defect engineering by an angstrom-sized electron probe.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001004930200012 Publication Date 2023-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2226-4108; 2227-8508 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 16.9 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 16.9; 2023 IF: 1.198  
  Call Number UA @ admin @ c:irua:197470 Serial 8860  
Permanent link to this record
 

 
Author Craco, L.; Carara, S.S.; Barboza, E. da S.; Milošević, M.V.; Pereira, T.A.S. url  doi
openurl 
  Title Electronic and valleytronic properties of crystalline boron-arsenide tuned by strain and disorder Type A1 Journal article
  Year 2023 Publication RSC advances Abbreviated Journal  
  Volume 13 Issue 26 Pages 17907-17913  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ab initio density functional theory (DFT) and DFT plus coherent potential approximation (DFT + CPA) are employed to reveal, respectively, the effect of in-plane strain and site-diagonal disorder on the electronic structure of cubic boron arsenide (BAs). It is demonstrated that tensile strain and static diagonal disorder both reduce the semiconducting one-particle band gap of BAs, and a V-shaped p-band electronic state emerges – enabling advanced valleytronics based on strained and disordered semiconducting bulk crystals. At biaxial tensile strains close to 15% the valence band lineshape relevant for optoelectronics is shown to coincide with one reported for GaAs at low energies. The role played by static disorder on the As sites is to promote p-type conductivity in the unstrained BAs bulk crystal, consistent with experimental observations. These findings illuminate the intricate and interdependent changes in crystal structure and lattice disorder on the electronic degrees of freedom of semiconductors and semimetals.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001008414700001 Publication Date 2023-06-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 3.9; 2023 IF: 3.108  
  Call Number UA @ admin @ c:irua:197317 Serial 8861  
Permanent link to this record
 

 
Author Beckwee, E.J.; Watson, G.; Houlleberghs, M.; Arenas Esteban, D.; Bals, S.; Van Der Voort, P.; Breynaert, E.; Martens, J.; Baron, G.V.; Denayer, J.F.M. url  doi
openurl 
  Title Enabling hydrate-based methane storage under mild operating conditions by periodic mesoporous organosilica nanotubes Type A1 Journal article
  Year 2023 Publication Heliyon Abbreviated Journal  
  Volume 9 Issue 7 Pages e17662-14  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Biomethane is a renewable natural gas substitute produced from biogas. Storage of this sustainable energy vector in confined clathrate hydrates, encapsulated in the pores of a host material, is a highly promising avenue to improve storage capacity and energy efficiency. Herein, a new type of periodic mesoporous organosilica (PMO) nanotubes, referred to as hollow ring PMO (HR-PMO), capable of promoting methane clathrate hydrate formation under mild working conditions (273 K, 3.5 MPa) and at high water loading (5.1 g water/g HR-PMO) is reported. Gravimetric uptake measurements reveal a steep single-stepped isotherm and a noticeably high methane storage capacity (0.55 g methane/g HR-PMO; 0.11 g methane/g water at 3.5 MPa). The large working capacity throughout consecutive pressure-induced clathrate hydrate formationdissociation cycles demonstrates the material's excellent recyclability (97% preservation of capacity). Supported by ex situ cryo-electron tomography and x-ray diffraction, HR-PMO nanotubes are hypothesized to promote clathrate hydrate nucleation and growth by distribution and confinement of water in the mesopores of their outer wall, along the central channels of the nanotubes and on the external nanotube surface. These findings showcase the potential for application of organosilica materials with hierarchical and interconnected pore systems for pressure-based storage of biomethane in confined clathrate hydrates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001056264100001 Publication Date 2023-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2405-8440 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access (down) OpenAccess  
  Notes E.J.B., G.W. and M.H. contributed equally to this work. M.H. acknowledges FWO for an FWO-SB fellowship. All authors acknowledge VLAIO for Moonshot funding (ARCLATH, n ? HBC.2019.0110, ARCLATH2, n ? HBC.2021.0254) . J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem) and department EWI for infrastructure investment via the Hermes Fund (AH.2016.134) . NMRCoRe acknowledges the Flemish government, department EWI for financial support as International Research Infrastructure (I001321N: Nuclear Magnetic Resonance Spectroscopy Platform for Molecular Water Research) . J.A.M. acknowledges the European Research Council (ERC) for an Advanced Research Grant under the European Union's Horizon 2020 research and innovation program under grant agreement No. 834134 (WATUSO) . S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G.0381.16N) . This project also received funding from the European Union's Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO) . Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199249 Serial 8862  
Permanent link to this record
 

 
Author Soltan, S.; Macke, S.; Ilse, S.E.; Pennycook, T.; Zhang, Z.L.; Christiani, G.; Benckiser, E.; Schuetz, G.; Goering, E. url  doi
openurl 
  Title Ferromagnetic order controlled by the magnetic interface of LaNiO3/La2/3Ca1/3MnO3 superlattices Type A1 Journal article
  Year 2023 Publication Scientific reports Abbreviated Journal  
  Volume 13 Issue 1 Pages 1-9  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Interface engineering in complex oxide superlattices is a growing field, enabling manipulation of the exceptional properties of these materials, and also providing access to new phases and emergent physical phenomena. Here we demonstrate how interfacial interactions can induce a complex charge and spin structure in a bulk paramagnetic material. We investigate a superlattice (SLs) consisting of paramagnetic LaNiO3 (LNO) and highly spin-polarized ferromagnetic La2/3Ca1/3MnO3 (LCMO), grown on SrTiO3 (001) substrate. We observed emerging magnetism in LNO through an exchange bias mechanism at the interfaces in X-ray resonant magnetic reflectivity. We find non-symmetric interface induced magnetization profiles in LNO and LCMO which we relate to a periodic complex charge and spin superstructure. High resolution scanning transmission electron microscopy images reveal that the upper and lower interfaces exhibit no significant structural variations. The different long range magnetic order emerging in LNO layers demonstrates the enormous potential of interfacial reconstruction as a tool for tailored electronic properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000985158100013 Publication Date 2023-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.6 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 4.6; 2023 IF: 4.259  
  Call Number UA @ admin @ c:irua:197426 Serial 8867  
Permanent link to this record
 

 
Author Drăgan, A.-M.; Feier, B.G.; Tertis, M.; Bodoki, E.; Truta, F.; Stefan, M.-G.; Kiss, B.; Van Durme, F.; De Wael, K.; Oprean, R.; Cristea, C. url  doi
openurl 
  Title Forensic analysis of synthetic cathinones on nanomaterials-based platforms : chemometric-assisted voltametric and UPLC-MS/MS investigation Type A1 Journal article
  Year 2023 Publication Nanomaterials Abbreviated Journal  
  Volume 13 Issue 17 Pages 2393-19  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Synthetic cathinones (SCs) are a group of new psychoactive substances often referred to as “legal highs” or “bath salts”, being characterized by a dynamic change, new compounds continuously emerging on the market. This creates a lack of fast screening tests, making SCs a constant concern for law enforcement agencies. Herein, we present a fast and simple method for the detection of four SCs (alpha-pyrrolidinovalerophenone, N-ethylhexedrone, 4-chloroethcathinone, and 3-chloromethcathinone) based on their electrochemical profiles in a decentralized manner. In this regard, the voltametric characterization of the SCs was performed by cyclic and square wave voltammetry. The elucidation of the SCs redox pathways was successfully achieved using liquid chromatography coupled to (tandem) mass spectrometry. For the rational identification of the ideal experimental conditions, chemometric data processing was employed, considering two critical qualitative and quantitative variables: the type of the electrochemical platform and the pH of the electrolyte. The analytical figures of merit were determined on standard working solutions using the optimized method, which exhibited wide linear ranges and LODs suitable for confiscated sample screening. Finally, the performance of the method was evaluated on real confiscated samples, the resulting validation parameters being similar to those obtained with another portable device (i.e., Raman spectrometer).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001061205100001 Publication Date 2023-08-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.3 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 5.3; 2023 IF: 3.553  
  Call Number UA @ admin @ c:irua:199221 Serial 8869  
Permanent link to this record
 

 
Author Gielis, J. url  doi
openurl 
  Title Fred Van Oystaeyen : Time hybrids: a new generic theory of reality Type Review
  Year 2023 Publication Symmetry, Culture and Science Abbreviated Journal  
  Volume 34 Issue 3 Pages 347-351  
  Keywords Review; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199538 Serial 8871  
Permanent link to this record
 

 
Author Lobato, I.; Friedrich, T.; Van Aert, S. pdf  url
doi  openurl
  Title Deep convolutional neural networks to restore single-shot electron microscopy images Type A1 Journal Article
  Year 2024 Publication npj Computational Materials Abbreviated Journal npj Comput Mater  
  Volume 10 Issue 1 Pages 10  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Advanced electron microscopy techniques, including scanning electron microscopes (SEM), scanning transmission electron microscopes (STEM), and transmission electron microscopes (TEM), have revolutionized imaging capabilities. However, achieving high-quality experimental images remains a challenge due to various distortions stemming from the instrumentation and external factors. These distortions, introduced at different stages of imaging, hinder the extraction of reliable quantitative insights. In this paper, we will discuss the main sources of distortion in TEM and S(T)EM images, develop models to describe them, and propose a method to correct these distortions using a convolutional neural network. We validate the effectiveness of our method on a range of simulated and experimental images, demonstrating its ability to significantly enhance the signal-to-noise ratio. This improvement leads to a more reliable extraction of quantitative structural information from the images. In summary, our findings offer a robust framework to enhance the quality of electron microscopy images, which in turn supports progress in structural analysis and quantification in materials science and biology.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001138183000001 Publication Date 2024-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2057-3960 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S.V.A.). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N, G0A7723N and EOS 40007495). S.V.A. acknowledges funding from the University of Antwerp Research Fund (BOF). The authors thank Lukas Grünewald for data acquisition and support for Fig. 7. Approved Most recent IF: NA  
  Call Number EMAT @ emat @c:irua:202714 Serial 8994  
Permanent link to this record
 

 
Author Bekaert, J.; Bringmans, L.; Milošević, M.V. pdf  url
doi  openurl
  Title Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems Type A1 Journal article
  Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal  
  Volume 35 Issue 32 Pages 325602-325610  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000986281900001 Publication Date 2023-05-03  
  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 2.7 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 2.7; 2023 IF: 2.649  
  Call Number UA @ admin @ c:irua:196664 Serial 8875  
Permanent link to this record
 

 
Author Moro, G.; Campos, R.; Daems, E.; Moretto, L.M.; De Wael, K. pdf  url
doi  openurl
  Title Haem-mediated albumin biosensing : towards voltammetric detection of PFOA Type A1 Journal article
  Year 2023 Publication Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry Abbreviated Journal  
  Volume 152 Issue Pages 108428-7  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract The haem group is a promising redox probe for the design of albumin-based voltammetric sensors. Among the endogenous ligands carried by human serum albumin (hSA), haem is characterised by a reversible redox behaviour and its binding kinetics strongly depend on hSA’s conformation, which, in turn, depends on the presence of other ligands. In this work, the potential applicability of haem, especially hemin, as a redox probe was first tested in a proof-of-concept study using perfluorooctanoic acid (PFOA) as model analyte. PFOA is known to bind hSA by occupying Sudlow’s I site (FA7) which is spatially related to the haem-binding site (FA1). The latter undergoes a conformational change, which is expected to affect hemin’s binding kinetics. To verify this hypothesis, hemin:albumin complexes in the presence/absence of PFOA were first screened by UV–Vis spectroscopy. Once the complex formation was verified, haem was further characterised via electrochemical methods to estimate its electron transfer kinetics. The hemin:albumin:PFOA system was studied in solution, with the aim of describing the multiple equilibria at stake and designing an electrochemical assay for PFOA monitoring. This latter could be integrated with protein-based bioremediation approaches for the treatment of per- and polyfluoroalkyl substances polluted waters. Overall, our preliminary results show how hemin can be applied as a redox probe in albumin-based voltammetric sensing strategies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000971630400001 Publication Date 2023-03-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1567-5394 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 5; 2023 IF: 3.346  
  Call Number UA @ admin @ c:irua:195069 Serial 8876  
Permanent link to this record
 

 
Author Yang, S.; An, H.; Arnouts, S.; Wang, H.; Yu, X.; de Ruiter, J.; Bals, S.; Altantzis, T.; Weckhuysen, B.M.; van der Stam, W. url  doi
openurl 
  Title Halide-guided active site exposure in bismuth electrocatalysts for selective CO₂ conversion into formic acid Type A1 Journal article
  Year 2023 Publication Nature Catalysis Abbreviated Journal  
  Volume 6 Issue 9 Pages 796-806  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract It remains a challenge to identify the active sites of bismuth catalysts in the electrochemical CO2 reduction reaction. Here we show through in situ characterization that the activation of bismuth oxyhalide electrocatalysts to metallic bismuth is guided by the halides. In situ X-ray diffraction results show that bromide promotes the selective exposure of planar bismuth surfaces, whereas chloride and iodide result in more disordered active sites. Furthermore, we find that bromide-activated bismuth catalysts outperform the chloride and iodide counterparts, achieving high current density (>100 mA cm(-2)) and formic acid selectivity (>90%), suggesting that planar bismuth surfaces are more active for the electrochemical CO2 reduction reaction. In addition, in situ X-ray absorption spectroscopy measurements reveal that the reconstruction proceeds rapidly in chloride-activated bismuth and gradually when bromide is present, facilitating the formation of ordered planar surfaces. These findings show the pivotal role of halogens on selective facet exposure in activated bismuth-based electrocatalysts during the electrochemical CO2 reduction reaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001050367400001 Publication Date 2023-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2520-1158 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 37.8 Times cited 13 Open Access (down) OpenAccess  
  Notes B.M.W. acknowledges support from the Strategic UU-TU/e Alliance project 'Joint Centre for Chemergy Research' as well as from the Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO gravitation programme funded by the Ministry of Education, Culture and Science of the government of the Netherlands. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S.A. and T.A. acknowledge funding from the University of Antwerp Research fund (BOF). We also thank J. Wijten, J. Janssens and T. Prins (all from the Inorganic Chemistry and Catalysis group, Utrecht University) for helpful technical support. S. Deelen (Faculty of Science, Utrecht University) and L. Wu (Inorganic Chemistry and Catalysis group, Utrecht University) are acknowledged for the design of the in situ XRD cell. We also acknowledge B. Detlefs, P. Glatzel and V. Paidi (ESRF) for the support during the HERFD-XANES measurements on the ID26 beamline of the ESRF. Approved Most recent IF: 37.8; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:199190 Serial 8877  
Permanent link to this record
 

 
Author Yuan, Y.; Wu, F.-J.; Xiao, S.-T.; Wang, Y.-T.; Yin, Z.-W.; Van Tendeloo, G.; Chang, G.-G.; Tian, G.; Hu, Z.-Y.; Wu, S.-M.; Yang, X.-Y. url  doi
openurl 
  Title Hierarchical zeolites containing embedded Cd0.2Zn0.8S as a photocatalyst for hydrogen production from seawater Type A1 Journal article
  Year 2023 Publication Chemical communications Abbreviated Journal  
  Volume 59 Issue 47 Pages 7275-7278  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Uncovering an efficient and stable photocatalytic system for seawater splitting is a highly desirable but challenging goal. Herein, Cd0.2Zn0.8S@Silicalite-1 (CZS@S-1) composites, in which CZS is embedded in the hierarchical zeolite S-1, were prepared and show remarkably high activity, stability and salt resistance in seawater.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000994367000001 Publication Date 2023-05-19  
  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  
  Impact Factor 4.9 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 4.9; 2023 IF: 6.319  
  Call Number UA @ admin @ c:irua:197291 Serial 8878  
Permanent link to this record
 

 
Author Mangnus, M.J.J.; de Wit, J.W.; Vonk, S.J.W.; Geuchies, J.J.; Albrecht, W.; Bals, S.; Houtepen, A.J.; Rabouw, F.T. url  doi
openurl 
  Title High-throughput characterization of single-quantum-dot emission spectra and spectral diffusion by multiparticle spectroscopy Type A1 Journal article
  Year 2023 Publication ACS Photonics Abbreviated Journal  
  Volume 10 Issue 8 Pages 2688-2698  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In recent years, quantum dots (QDs) have emerged as bright,color-tunablelight sources for various applications such as light-emitting devices,lasing, and bioimaging. One important next step to advance their applicabilityis to reduce particle-to-particle variations of the emission propertiesas well as fluctuations of a single QD's emission spectrum,also known as spectral diffusion (SD). Characterizing SD is typicallyinefficient as it requires time-consuming measurements at the single-particlelevel. Here, however, we demonstrate multiparticle spectroscopy (MPS)as a high-throughput method to acquire statistically relevant informationabout both fluctuations at the single-particle level and variationsat the level of a synthesis batch. In MPS, we simultaneously measureemission spectra of many (20-100) QDs with a high time resolution.We obtain statistics on single-particle emission line broadening fora batch of traditional CdSe-based core-shell QDs and a batchof the less toxic InP-based core-shell QDs. The CdSe-basedQDs show significantly narrower homogeneous line widths, less SD,and less inhomogeneous broadening than the InP-based QDs. The timescales of SD are longer in the InP-based QDs than in the CdSe-basedQDs. Based on the distributions and correlations in single-particleproperties, we discuss the possible origins of line-width broadeningof the two types of QDs. Our experiments pave the way to large-scale,high-throughput characterization of single-QD emission propertiesand will ultimately contribute to facilitating rational design offuture QD structures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001009443500001 Publication Date 2023-06-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7 Times cited 1 Open Access (down) OpenAccess  
  Notes This work was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation Programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The electron microscopy experiments at EMAT were supported by the European Commission (EUSMI grant E210100474). Approved Most recent IF: 7; 2023 IF: 6.756  
  Call Number UA @ admin @ c:irua:197337 Serial 8879  
Permanent link to this record
 

 
Author Panzic, I.; Mandic, V.; Mangalam, J.; Rath, T.; Radovanovic-Peric, F.; Gaboardi, M.; De Coen, B.; Bals, S.; Schrenker, N. pdf  url
doi  openurl
  Title In-situ structural degradation study of quadruple-cation perovskite solar cells with nanostructured charge transfer layer Type A1 Journal article
  Year 2023 Publication Ceramics international Abbreviated Journal  
  Volume 49 Issue 14b Pages 24475-24486  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We investigated the structural stability of perovskite solar cells (PSCs) in n-i-p configuration comprising a rubidium-caesium-methylammonium-formamidinium (Rb-Cs-MA-FA) lead iodide/bromide perovskite absorber, interfaced with nanostructured ZnO-nanorod (NR) or mesostructured (MS) TiO2 electron transfer layers (ETL). An in-situ setup was established comprising synchrotron grazing incidence diffraction (GID) and Raman spectroscopy as a function of temperature under ambient and isothermal conditions; measurements of current-voltage (IV) characteristics and electron microscopic investigations were conducted discretely.The aging of the solar cells was performed at ambient conditions or at elevated temperatures directly in the in -situ measurement setup. The diffraction depth profiling results point to different degradation rates for different ETLs; moreover, electron microscopy and atomic force microscopy, as well as energy dispersive spectroscopy clarified surface conditions in terms of the extent of the degradation. Scanning transmission electron microscopy of lamellas, derived by dual beam microscopy, revealed that the origin of the degradation lay in the ETL/ absorber interface. For the case of the nanostructured zincite, the perovskite absorber contained many voids, leading to the conclusion that the investigated quadruple perovskite absorber showed limited compatibility with ZnO NR ETL due to a higher number of defects. Morphological defects promoted the absorber degradation and nullified the advantages initially achieved by nanostructuring. The exchange of the ZnO NR ETL with MS TiO2 improved the stability parameters of the absorber layer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001021057200001 Publication Date 2022-12-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0272-8842; 1873-3956 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.2 Times cited Open Access (down) OpenAccess  
  Notes This work has been funded by the projects PZS-2019-02-1555 PV-WALL in Research Cooperability Program of the Croatian Science Foundation funded by the European Union from the European Social Fund under the Operational Programme Efficient Human Resources 2014-2020 (perovskite solar cells) , UIP-2019-04-2367 SLIPPERY SLOPE of the Croatian Science Foundation (nanostructured titania and zincite constituents) , KK.01.2.1.02.0316 “ The development of the technical solution for energy saving using VIS -transparent or semi-transparent and IR-reflective thin-films” by the European Regional Development Fund (ERDF) (characterisation of thin-films) , 20190571 and 20190516 at Elettra Synchrotron, ICM-2019-13220 in Ernst Mach program of the OeAD-GmbH, and E210900588 in the EUSMI program. The group of prof Gregor Trimmel of the ICTM, NAWI Graz, the beam- line scientists of the MCX beamline of the Elettra synchrotron, and FIB- STEM researchers of the Faculty of Science, University of Antwerp, are gratefully acknowledged for collaboration and instrument access. The financial sustenance of the University of Zagreb is gratefully acknowledged. Approved Most recent IF: 5.2; 2023 IF: 2.986  
  Call Number UA @ admin @ c:irua:197806 Serial 8885  
Permanent link to this record
 

 
Author Huang, L.; Ratkowsky, D.A.; Hui, C.; Gielis, J.; Lian, M.; Shi, P. url  doi
openurl 
  Title Inequality measure of leaf area distribution for a drought-tolerant landscape plant Type A1 Journal article
  Year 2023 Publication Plants Abbreviated Journal  
  Volume 12 Issue 17 Pages 3143-11  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Measuring the inequality of leaf area distribution per plant (ILAD) can provide a useful tool for quantifying the influences of intra- and interspecific competition, foraging behavior of herbivores, and environmental stress on plants’ above-ground architectural structures and survival strategies. Despite its importance, there has been limited research on this issue. This paper aims to fill this gap by comparing four inequality indices to measure ILAD, using indices for quantifying household income that are commonly used in economics, including the Gini index (which is based on the Lorenz curve), the coefficient of variation, the Theil index, and the mean log deviation index. We measured the area of all leaves for 240 individual plants of the species Shibataea chinensis Nakai, a drought-tolerant landscape plant found in southern China. A three-parameter performance equation was fitted to observations of the cumulative proportion of leaf area vs. the cumulative proportion of leaves per plant to calculate the Gini index for each individual specimen of S. chinensis. The performance equation was demonstrated to be valid in describing the rotated and right shifted Lorenz curve, given that >96% of root-mean-square error values were smaller than 0.004 for 240 individual plants. By examining the correlation between any of the six possible pairs of indices among the Gini index, the coefficient of variation, the Theil index, and the mean log deviation index, the data show that these indices are closely related and can be used interchangeably to quantify ILAD.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001065193100001 Publication Date 2023-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2223-7747 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199564 Serial 8886  
Permanent link to this record
 

 
Author Almabadi, M.H.; Truta, F.M.; Adamu, G.; Cowen, T.; Tertis, M.; Alanazi, K.D.M.; Stefan, M.-G.; Piletska, E.; Kiss, B.; Cristea, C.; De Wael, K.; Piletsky, S.A.; Cruz, A.G. url  doi
openurl 
  Title Integration of smart nanomaterials for highly selective disposable sensors and their forensic applications in amphetamine determination Type A1 Journal article
  Year 2023 Publication Electrochimica acta Abbreviated Journal  
  Volume 446 Issue Pages 142009-142010  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Screening drugs on the street and biological samples pose a challenge to law enforcement agencies due to existing detection methods and instrument limitations. Herein we present a graphene-assisted molecularly imprinted polymer nanoparticle-based sensor for amphetamine. These nanoparticles are electroactive by incorporating ferrocene in their structure. These particles act as specific actuators in electrochemical sensors, and the presence of a ferrocene redox probe embedded in the structure allows the detection of non-electroactive amphetamine. In a control approach, nanoparticles were covalently immobilised onto electrochemical sensors by drop-casting using silanes. Alternatively, nanoparticles were immobilised employing 3D printing and a graphene ink composite. The electrochemical performance of both approaches was evaluated. As a result, 3D printed nanoMIPs/graphene sensors displayed the highest selectivity in spiked human plasma, with sensitivity at 73 nA nM-1, LOD of 68 nM (RSD 2.4%) when compared to the silane drop cast electrodes. The main advantage of the optimised 3D printing technology is that it allows quantitative determination of amphetamine, a nonelectroactive drug, challenging to detect with conventional electrochemical sensors. In addition, the costefficient 3D printing method makes these sensors easy to manufacture, leading to robust, highly selective and sensitive sensors. As proof of concept, sensors were evaluated on the street specimens and clinically relevant samples and successfully validated using UPLC-MS.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000953087600001 Publication Date 2023-02-09  
  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 6.6 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 6.6; 2023 IF: 4.798  
  Call Number UA @ admin @ c:irua:196145 Serial 8888  
Permanent link to this record
 

 
Author Yu, R.; Zeng, W.; Zhou, L.; Van Tendeloo, G.; Mai, L.; Yao, Z.; Wu, J. url  doi
openurl 
  Title Layer-by-layer delithiation during lattice collapse as the origin of planar gliding and microcracking in Ni-rich cathodes Type A1 Journal article
  Year 2023 Publication Cell reports physical science Abbreviated Journal  
  Volume 4 Issue 7 Pages 101480-14  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract High-energy-density nickel (Ni)-rich cathode materials are used in commercial lithium (Li)-ion batteries for electric vehicles, but they suffer from severe structural degradation upon cycling. Planar gliding and microcracking are seeds for fatal mechanical fracture, but their origin remains unclear. Herein, we show that “layer-by -layer delithiation”is activated at high voltages during the charge process when the “lattice collapse”(a characteristic high-voltage lattice evolution in Ni-rich cathodes) occurs. Layer-by-layer deli-thiation is evidenced by direct observation of the consecutive lattice collapse using in situ scanning transmission electron micro-scopy (STEM). The collapsing of the lattice initiates in the expanded planes and consecutively extends to the whole crystal. Localized strain will be induced at lattice-collapsing interface where planar gliding and intragranular microcracks are generated to release this strain. Our study reveals that layer-by-layer delithia-tion during lattice collapse is the fundamental origin of the mechanical instability in single-crystalline Ni-rich cathodes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001048074500001 Publication Date 2023-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:198299 Serial 8893  
Permanent link to this record
 

 
Author Shi, P.; Gielis, J.; Niklas, K.J.; Niinemets, Ü.; Schrader, J. url  doi
isbn  openurl
  Title Leaf functional traits : ecological and evolutionary implications Type ME3 Book as editor
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages 185 p.  
  Keywords ME3 Book as editor; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-04-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-2-8325-2086-4; 1664-8714 Additional Links UA library record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:198002 Serial 8894  
Permanent link to this record
 

 
Author Wagaarachchige, J.D.; Idris, Z.; Arstad, B.; Kummamuru, N.B.; Sætre, K.A.S.; Halstensen, M.; Jens, K.-J. url  doi
openurl 
  Title Low-viscosity nonaqueous sulfolane–amine–methanol solvent blend for reversible CO2 capture Type A1 Journal article
  Year 2022 Publication Industrial and engineering chemistry research Abbreviated Journal  
  Volume 61 Issue 17 Pages 5942-5951  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In this work, the absorption–desorption performance of CO2 in six new solvent blends of amine (diisopropylamine (DPA), 2-amino-2-methyl-1-propanol (AMP), methyldiethanolamine (MDEA), diethanolamine (DEA), diisopropanolamine (DIPA), and ethanolamine (MEA)), sulfolane, and methanol has been monitored using ATR-FTIR spectroscopy. Additionally, NMR-based species confirmation and solvent viscosity analysis were done for DPA solvent samples. The identified CO2 capture products are monomethyl carbonate (MMC), carbamate, carbonate, and bicarbonate anions in different ratios. The DPA solvent formed MMC entirely with 0.88 molCO2/molamine capture capacity, 0.48 molCO2/molamine cyclic capacity, and 3.28 mPa·s CO2-loaded solvent viscosity. MEA, DEA, DIPA, and MDEA were shown to produce a low or a negligible amount of MMC while AMP occupied an intermediate position.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2022-04-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0888-5885; 1520-5045 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:199111 Serial 8895  
Permanent link to this record
 

 
Author Ma, X.; Pavlidis, G.; Dillon, E.; Beltran, V.; Schwartz, J.J.; Thoury, M.; Borondics, F.; Sandt, C.; Kjoller, K.; Berrie, B.H.; Centrone, A. pdf  url
doi  openurl
  Title Micro to nano : multiscale IR analyses reveal zinc soap heterogeneity in a 19th-century painting by Corot Type A1 Journal article
  Year 2022 Publication Analytical chemistry Abbreviated Journal  
  Volume 94 Issue 7 Pages 3103-3110  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Formation and aggregation of metal carboxylates (metal soaps) can degrade the appearance and integrity of oil paints, challenging efforts to conserve painted works of art. Endeavors to understand the root cause of metal soap formation have been hampered by the limited spatial resolution of Fourier transform infrared microscopy (mu-FTIR). We overcome this limitation using optical photothermal infrared spectroscopy (O-PTIR) and photothermal-induced resonance (PTIR), two novel methods that provide IR spectra with approximate to 500 and approximate to 10 nm spatial resolutions, respectively. The distribution of chemical phases in thin sections from the top layer of a 19th-century painting is investigated at multiple scales (mu-FTIR approximate to 10(2) mu m(3), O-PTIR approximate to 10(-1) mu m(3), PTIR approximate to 10(-5) mu m(3)). The paint samples analyzed here are found to be mixtures of pigments (cobalt green, lead white), cured oil, and a rich array of intermixed, small (often << 0.1 mu m(3)) zinc soap domains. We identify Zn stearate and Zn oleate crystalline soaps with characteristic narrow IR peaks (approximate to 1530-1558 cm(-1)) and a heterogeneous, disordered, water-permeable, tetrahedral zinc soap phase, with a characteristic broad peak centered at approximate to 1596 cm(-1). We show that the high signal-to-noise ratio and spatial resolution afforded by O-PTIR are ideal for identifying phase-separated (or locally concentrated) species with low average concentration, while PTIR provides an unprecedented nanoscale view of distributions and associations of species in paint. This newly accessible nanocompositional information will advance our knowledge of chemical processes in oil paint and will stimulate new art conservation practices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000766206700011 Publication Date 2022-02-09  
  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 full record; WoS citing articles  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:187380 Serial 8897  
Permanent link to this record
 

 
Author Alvarado-Alvarado, A.A.; De Bock, A.; Ysebaert, T.; Belmans, B.; Denys, S. pdf  url
doi  openurl
  Title Modeling the hygrothermal behavior of green walls in Comsol Multiphysics® : validation against measurements in a climate chamber Type A1 Journal article
  Year 2023 Publication Building and environment Abbreviated Journal  
  Volume 238 Issue Pages 110377-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings  
  Abstract Green walls (GW) can diminish building's surface temperature through shading, insulation, and evapotranspiration mechanisms. These can be analyzed by computer models that account for heat and mass transfer phenomena. However, most previous models were one-dimensional thermal simulations in which boundary conditions (BC), like convective moisture transport, were not or only partly considered. The present work proposes a more comprehensive way to predict GW's hygrothermal behavior by integrating a 3D multiphysics model that couples heat and moisture transport in Comsol Multiphysics®. The air cavity that usually separates the GW from the building was also considered. Heat sink terms were added to represent plants' transpiration and substrates' evaporation, considering the leaf area density (LAD) and substrate's water saturation (Sr). The model was validated against experiments where four green wall-test panels (GW-TPs) were evaluated in a climate chamber under steady-state conditions. This provides a much sounder approach for validation than what currently exists (r = 0.97; RMSE = 0.33 °C). The four GW-TPs decreased the masonry's surface temperature in the range of 0.89–1.14 °C (0.97 ± 0.11 SD °C). The average contribution of the evapotranspiration effect was 30%, whereas the contribution of the air cavity was 60.7 ± 0.09%. The temperature at the substrate's rear was reduced on average by 0.57 ± 0.15 SD °C. When solar radiation was considered as a BC, the GW-TPs decreased the building's surface temperature by 10 °C. Lastly, high values of LAD and Sr translated into increased temperature reduction values.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001001412600001 Publication Date 2023-05-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0360-1323 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.4 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 7.4; 2023 IF: 4.053  
  Call Number UA @ admin @ c:irua:196467 Serial 8899  
Permanent link to this record
 

 
Author Avranovich Clerici, E.; De Meyer, S.; Vanmeert, F.; Legrand, S.; Monico, L.; Miliani, C.; Janssens, K. url  doi
openurl 
  Title Multi-scale X-ray imaging of the pigment discoloration processes triggered by chlorine compounds in the Upper Basilica of Saint Francis of Assisi Type A1 Journal article
  Year 2023 Publication Molecules: a journal of synthetic chemistry and natural product chemistry Abbreviated Journal  
  Volume 28 Issue 16 Pages 6106-6123  
  Keywords A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract In this paper, the chromatic alteration of various types of paints, present on mural painting fragments derived from the vaults of The Upper Basilica of Saint Francis of Assisi in Italy (12th-13th century), is studied using synchrotron radiation. Six painted mural fragments, several square centimeters in size, were available for analysis, originating from the ceiling paintings attributed to Cimabue and Giotto; they correspond to originally white, blue/green, and brown/yellow/orange areas showing discoloration. As well as collecting macroscopic X-ray fluorescence and diffraction maps from the entire fragments in the laboratory and at the SOLEIL synchrotron, corresponding paint cross-sections were also analyzed using microscopic X-ray fluorescence and powder diffraction mapping at the PETRA-III synchrotron. Numerous secondary products were observed on the painted surfaces, such as (a) copper tri-hydroxychloride in green/blue areas; (b) corderoite and calomel in vermillion red/cinnabar-rich paints; (c) plattnerite and/or scrutinyite assumed to be oxidation products of (hydro)cerussite (2PbCO(3)center dot Pb(OH)(2)) in the white areas, and (d) the calcium oxalates whewellite and weddellite. An extensive presence of chlorinated metal salts points to the central role of chlorine-containing compounds during the degradation of the 800-year-old paint, leading to, among other things, the formation of the rare mineral cumengeite (21PbCl(2)center dot 20Cu(OH) (2) center dot 6H(2)O).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001056388600001 Publication Date 2023-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1420-3049 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.6 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 4.6; 2023 IF: 2.861  
  Call Number UA @ admin @ c:irua:199265 Serial 8902  
Permanent link to this record
 

 
Author Alloul, A.; Moradvandi, A.; Puyol, D.; Molina, R.; Gardella, G.; Vlaeminck, S.E.; De Schutter, B.; Abraham, E.; Lindeboom, R.E.F.; Weissbrodt, D.G. url  doi
openurl 
  Title A novel mechanistic modelling approach for microbial selection dynamics : towards improved design and control of raceway reactors for purple bacteria Type A1 Journal article
  Year 2023 Publication Bioresource technology Abbreviated Journal  
  Volume 390 Issue Pages 129844-129849  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Purple phototrophic bacteria (PPB) show an underexplored potential for resource recovery from wastewater. Raceway reactors offer a more affordable full-scale solution on wastewater and enable useful additional aerobic processes. Current mathematical models of PPB systems provide useful mechanistic insights, but do not represent the full metabolic versatility of PPB and thus require further advancement to simulate the process for technology development and control. In this study, a new modelling approach for PPB that integrates the photoheterotrophic, and both anaerobic and aerobic chemoheterotrophic metabolic pathways through an empirical parallel metabolic growth constant was proposed. It aimed the modelling of microbial selection dynamics in competition with aerobic and anaerobic microbial community under different operational scenarios. A sensitivity analysis was carried out to identify the most influential parameters within the model and calibrate them based on experimental data. Process perturbation scenarios were simulated, which showed a good performance of the model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001094606700001 Publication Date 2023-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 11.4 Times cited Open Access (down) OpenAccess  
  Notes Approved Most recent IF: 11.4; 2023 IF: 5.651  
  Call Number UA @ admin @ c:irua:200035 Serial 8905  
Permanent link to this record
 

 
Author Neven, L.; Barich, H.; Rutten, R.; De Wael, K. pdf  url
doi  openurl
  Title Novel (photo)electrochemical analysis of aqueous industrial samples containing phenols Type A1 Journal article
  Year 2022 Publication Microchemical journal Abbreviated Journal  
  Volume 181 Issue Pages 107778-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Phenols are considered as toxic pollutants and their discharge into the environment by industries is regulated by a concentration limit. As these limits are in the low mg L−1 to µg L−1-range, sensitive methods are necessary to detect these phenols. Here, aqueous industrial phenolic samples throughout a cleaning process were analyzed by two novel electrochemical sensors. Both the photoelectrochemical (PEC) sensor and the square wave voltammetric (SWV) sensor could successfully follow the decrease of the concentration of phenols along the industrial cleaning process. The discharge sample (μg L−1) could only be analyzed by the PEC sensor and not by the SWV sensor, as the phenolic concentration was close to the LOD of the latter. With HPLC-diode array detector (DAD) measurements, classical phenols such as phenol (PHOH), hydroquinone, resorcinol and o-cresol could be identified in the industrial samples, and their presence could be linked to the electrochemical responses. At last, the performance of the PEC and SWV sensors were compared with commercial colorimetric and chemical oxygen demand (COD) test kits. This comparison demonstrated the high sensitivity of the PEC sensor in the μg L−1 concentrated phenolic samples. Together with the identification of the redox peaks through HPLC-DAD analysis, the SWV sensor can be a powerful tool in the qualitative analysis of mg L−1 concentrated phenolic samples due to its speed, simplicity and absence of laborious sample pre-treatment steps.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000837838400003 Publication Date 2022-07-20  
  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 Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:189428 Serial 8906  
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Author Mulder, J.T.T.; Jenkinson, K.; Toso, S.; Prato, M.; Evers, W.H.H.; Bals, S.; Manna, L.; Houtepen, A.J.J. url  doi
openurl 
  Title Nucleation and growth of bipyramidal Yb:LiYF₄ nanocrystals : growing up in a hot environment Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal  
  Volume 35 Issue 14 Pages 5311-5321  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Lanthanide-doped LiYF4 (Ln:YLF) is commonlyused fora broad variety of optical applications, such as lasing, photon upconversionand optical refrigeration. When synthesized as nanocrystals (NCs),this material is also of interest for biological applications andfundamental physical studies. Until now, it was unclear how Ln:YLFNCs grow from their ionic precursors into tetragonal NCs with a well-defined,bipyramidal shape and uniform dopant distribution. Here, we studythe nucleation and growth of ytterbium-doped LiYF4 (Yb:YLF),as a template for general Ln:YLF NC syntheses. We show that the formationof bipyramidal Yb:YLF NCs is a multistep process starting with theformation of amorphous Yb:YLF spheres. Over time, these spheres growvia Ostwald ripening and crystallize, resulting in bipyramidal Yb:YLFNCs. We further show that prolonged heating of the NCs results inthe degradation of the NCs, observed by the presence of large LiFcubes and small, irregular Yb:YLF NCs. Due to the similarity in chemicalnature of all lanthanide ions our work sheds light on the formationstages of Ln:YLF NCs in general.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001021474500001 Publication Date 2023-07-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 8.6 Times cited Open Access (down) OpenAccess  
  Notes This project has received funding from the European Union's Horizon 2020 research and innovation program under Grant Agreement No. 766900 (Testing the large-scale limit of quantum mechanics). The authors thank Niranjan Saikumar for proof reading the manuscript. Approved Most recent IF: 8.6; 2023 IF: 9.466  
  Call Number UA @ admin @ c:irua:197787 Serial 8907  
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Author Ehirim, T.J.; Ozoemena, O.C.; Mwonga, P.V.; Haruna, A.B.; Mofokeng, T.P.; De Wael, K.; Ozoemena, K.I. url  doi
openurl 
  Title Onion-like carbons provide a favorable electrocatalytic platform for the sensitive detection of tramadol drug Type A1 Journal article
  Year 2022 Publication ACS Omega Abbreviated Journal  
  Volume 7 Issue 51 Pages 47892-47905  
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract This work reports the first study on the possible application of nanodiamond-derived onion-like carbons (OLCs), in comparison with conductive carbon black (CB), as an electrode platform for the electrocatalytic detection of tramadol (an important drug of abuse). The physicochemical properties of OLCs and CB were determined using X-ray diffraction (XRD), Raman, scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), and thermogravimetric analysis (TGA). The OLC exhibits, among others, higher surface area, more surface defects, and higher thermal stability than CB. From the electrochemical analysis (interrogated using cyclic voltammetry, differential pulse voltammetry, and electrochemical impedance spectroscopy), it is shown that an OLC-modified glassy carbon electrode (GCE-OLC) allows faster electron transport and electrocatalysis toward tramadol compared to a GCE-CB. To establish the underlying science behind the high performance of the OLC, theoretical calculations (density functional theory (DFT) simulations) were conducted. DFT predicts that OLC allows for weaker surface binding of tramadol (Ead = -26.656 eV) and faster kinetic energy (K.E. = -155.815 Ha) than CB (Ead = -40.174 eV and -305.322 Ha). The GCE-OLC shows a linear calibration curve for tramadol over the range of similar to 55 to 392 mu M, with high sensitivity (0.0315 mu A/mu M) and low limit of detection (LoD) and quantification (LoQ) (3.8 and 12.7 mu M, respectively). The OLC-modified screen-printed electrode (SPE-OLC) was successfully applied for the sensitive detection of tramadol in real pharmaceutical formulations and human serum. The OLC-based electrochemical sensor promises to be useful for the sensitive and accurate detection of tramadol in clinics, quality control, and routine quantification of tramadol drugs in pharmaceutical formulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000903165200001 Publication Date 2022-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-1343 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access (down) OpenAccess  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193391 Serial 8908  
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