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Author Zarenia, M.; Conti, S.; Peeters, F.M.; Neilson, D. pdf  doi
openurl 
  Title Coulomb drag in strongly coupled quantum wells : temperature dependence of the many-body correlations Type A1 Journal article
  Year 2019 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 115 Issue 20 Pages 202105  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the effect of the temperature dependence of many-body correlations on hole-hole Coulomb drag in strongly coupled GaAs/GaAlAs double quantum wells. For arbitrary temperatures, we obtained the correlations using the classical-map hypernetted-chain approach. We compare the temperature dependence of the resulting drag resistivities rho D(T) at different densities with rho D(T) calculated assuming correlations fixed at zero temperature. Comparing the results with those when correlations are completely neglected, we confirm that correlations significantly increase the drag. We find that the drag becomes sensitive to the temperature dependence of T greater than or similar to 2TF, twice the Fermi temperature. Our results show excellent agreement with available experimental data. Published under license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000498619400007 Publication Date 2019-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 2 Open Access  
  Notes Approved Most recent IF: 3.411  
  Call Number UA @ admin @ c:irua:165135 Serial 6291  
Permanent link to this record
 

 
Author Bizindavyi, J.; Verhulst, A.S.; Verreck, D.; Sorée, B.; Groeseneken, G. pdf  doi
openurl 
  Title Large variation in temperature dependence of band-to-band tunneling current in tunnel devices Type A1 Journal article
  Year 2019 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L  
  Volume 40 Issue 11 Pages 1864-1867  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The observation of a significant temperature-dependent variation in the ${I}$ – ${V}$ characteristics of tunneling devices is often interpreted as a signature of a trap-assisted-tunneling dominated current. In this letter, we use a ballistic 2D quantum-mechanical simulator, calibrated using the measured temperature-dependent ${I}$ – ${V}$ characteristics of Esaki diodes, to demonstrate that the temperature dependence of band-to-band tunneling (BTBT) current can vary significantly in both Esaki diodes and tunnel FETs. The variation of BTBT current with temperature is impacted by doping concentration, gate voltage, possible presence of a highly-doped pocket at the tunnel junction, and material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000496192600040 Publication Date 2019-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0741-3106 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.048 Times cited Open Access  
  Notes Approved Most recent IF: 3.048  
  Call Number UA @ admin @ c:irua:164636 Serial 6306  
Permanent link to this record
 

 
Author Xue, C.; He, A.; Milošević, M.V.; Silhanek, A., V; Zhou, Y.-H. url  doi
openurl 
  Title Open circuit voltage generated by dragging superconducting vortices with a dynamic pinning potential Type A1 Journal article
  Year 2019 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 21 Issue 11 Pages 113044  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate, through Ginzburg?Landau simulations, the possibility to induce an open circuit voltage in absence of applied current, by dragging superconducting vortices with a dynamic pinning array as for instance that created by a nearby sliding vortex lattice or moving laser spots. Different dynamic regimes, such as synchronous vortex motion or dynamic vortex chains consisting of laggard vortices, can be observed by varying the velocity of the sliding pinning potential and the applied magnetic field. Additionally, due to the edge barrier, significantly different induced voltage is found depending on whether the vortices are dragged along the superconducting strip or perpendicular to the lateral edges. The output voltage in the proposed mesoscopic superconducting dynamo can be tuned by varying size, density and directions of the sliding pinning potential.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000498853700001 Publication Date 2019-11-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 6 Open Access  
  Notes Approved Most recent IF: 3.786  
  Call Number UA @ admin @ c:irua:165158 Serial 6317  
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Ghergherehchi, M.; Peeters, F.M. pdf  doi
openurl 
  Title Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 126 Issue 14 Pages 144304  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000503995300019 Publication Date 2019-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 56 Open Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:165160 Serial 6328  
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. url  doi
openurl 
  Title Two-dimensional carbon nitride (2DCN) nanosheets : tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 126 Issue 21 Pages 215104  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By employing first-principles calculations within the framework of density functional theory, we investigated the structural, electronic, and magnetic properties of graphene and various two-dimensional carbon-nitride (2DNC) nanosheets. The different 2DCN gives rise to diverse electronic properties such as metals (C3N2), semimetals (C4N and C9N4), half-metals (C4N3), ferromagnetic-metals (C9N7), semiconductors (C2N, C3N, C3N4, C6N6, and C6N8), spin-glass semiconductors (C10N9 and C14N12), and insulators (C2N2). Furthermore, the effects of adsorption and substitution of hydrogen atoms as well as N-vacancy defects on the electronic and magnetic properties are systematically studied. The introduction of point defects, including N vacancies, interstitial H impurity into graphene and different 2DCN crystals, results in very different band structures. Defect engineering leads to the discovery of potentially exotic properties that make 2DCN interesting for future investigations and emerging technological applications with precisely tailored properties. These properties can be useful for applications in various fields such as catalysis, energy storage, nanoelectronic devices, spintronics, optoelectronics, and nanosensors. Published under license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000504007300023 Publication Date 2019-12-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 70 Open Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:165733 Serial 6329  
Permanent link to this record
 

 
Author Ozbal, G.; Senger, R.T.; Sevik, C.; Sevincli, H. doi  openurl
  Title Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal  
  Volume 100 Issue 8 Pages 085415  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Combining first-principles calculations with Landauer-Mittiker formalism, ballistic thermoelectric transport properties of semiconducting two-dimensional transition metal dichalcogenides (TMDs) and oxides (TMOs) (namely MX2 with M = Cr, Mo, W, Ti, Zr, Hf; X = O, S, Se, Te) are investigated in their 2H and 1T phases. Having computed structural, as well as ballistic electronic and phononic transport properties for all structures, we report the thermoelectric properties of the semiconducting ones. We find that 2H phases of four of the studied structures have very promising thermoelectric properties, unlike their 1T phases. The maximum room temperature p-type thermoelectric figure of merit (ZT) of 1.57 is obtained for 2H-HfSe2, which can be as high as 3.30 at T = 800 K. Additionally, 2H-ZrSe2, 2H-ZrTe2, and 2H-HfS2 have considerable ZT values (both nand p-type), that are above 1 at room temperature. The 1T phases of Zr and Hf-based oxides possess relatively high power factors, however their high lattice thermal conductance values limit their ZT values to below 1 at room temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000480389100007 Publication Date 2019-08-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193773 Serial 7549  
Permanent link to this record
 

 
Author Yorulmaz, B.; Ozden, A.; Sar, H.; Ay, F.; Sevik, C.; Perkgoz, N.K. doi  openurl
  Title CVD growth of monolayer WS2 through controlled seed formation and vapor density Type A1 Journal article
  Year 2019 Publication Materials science in semiconductor processing Abbreviated Journal  
  Volume 93 Issue Pages 158-163  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Large area, single layer WS2 has a high potential for use in optoelectrical devices with its high photo-luminescence intensity and low response time. In this work, we demonstrate a systematic study of controlled tungsten disulfide (WS2) monolayer growth using chemical vapor deposition (CVD) technique. With a detailed investigation of process parameters such as H-2 gas inclusion into the main carrier gas, growth temperature and duration, we have gained insight into two-dimensional (2D) WS2 synthesis through controlling the seed formations and the radical vapor density associated with WO3. We confirm that H-2 gas, when included to the carrier gas, is directly involved in WO3 reduction due to its reductive reagent nature, which provides a more effective sulfurization and monolayer formation process. Additionally, by changing the CVD growth configuration, hence, increasing the tungsten related vapor density and confining the reactant radicals, we succeed in realizing larger WS(2 )monolayers, which is still a technological challenge in order to utilize these structures for practical applications. Further optimization of the growth procedure is demonstrated by tuning the growth duration to prevent the excess seed formations and additional layers which will possibly limit the device performance of the monolayer flakes or films when applied.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000457727300018 Publication Date 2019-01-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1369-8001 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193782 Serial 7748  
Permanent link to this record
 

 
Author Sar, H.; Ozden, A.; Demiroglu, I.; Sevik, C.; Perkgoz, N.K.; Ay, F. doi  openurl
  Title Long-Term Stability Control of CVD-Grown Monolayer MoS2 Type A1 Journal article
  Year 2019 Publication Physica status solidi: rapid research letters Abbreviated Journal  
  Volume 13 Issue 7 Pages 1800687  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structural stability of 2D transition metal dichalcogenide (TMD) formations is of particular importance for their reliable device performance in nano-electronics and opto-electronics. Recent observations show that the CVD-grown TMD monolayers are likely to encounter stability problems such as cracking or fracturing when they are kept under ambient conditions. Here, two different growth configurations are investigated and a favorable growth geometry is proposed, which also sheds light onto the growth mechanism and provides a solution for the stability and fracture formation issues for TMDs specifically for MoS2 monolayers. It is shown that 18 months naturally and thermally aged MoS2 monolayer flakes grown using specifically developed conditions, retain their stability. To understand the mechanism of the structural deterioration, two possible effective mechanisms, S vacancy defects and growth-induced tensile stress, are assessed by the first principle calculations where the role of S vacancy defects in obtaining oxidation resistant MoS2 monolayer flakes is revealed to be rather more critical. Hence, these simulations, time-dependent observations and thermal aging experiments show that durability and stability of 2D MoS2 flakes can be controlled by CVD growth configuration.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000477671800009 Publication Date 2019-03-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6254 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193784 Serial 8184  
Permanent link to this record
 

 
Author Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C. doi  openurl
  Title Self-assembled vortex crystals induced by inhomogeneous magnetic textures Type A1 Journal article
  Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal  
  Volume 31 Issue 17 Pages 175402  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2019-01-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:191094 Serial 8511  
Permanent link to this record
 

 
Author Sevik, C.; Çakir, D. doi  openurl
  Title Tailoring Storage Capacity and Ion Kinetics in Ti2CO2/Graphene Heterostructures by Functionalization of Graphene Type A1 Journal article
  Year 2019 Publication Physical review applied Abbreviated Journal  
  Volume 12 Issue 1 Pages 014001  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles calculations, we evaluate the electrochemical performance of heterostructures made up of Ti2CO2 and chemically modified graphene for Li batteries. We find that heteroatom doping and molecule intercalation have a significant impact on the storage capacity and Li migration barrier energies. While N and S doping do not improve the storage capacity, B doping together with molecule interaction make it possible to intercalate two layers of Li, which stick separately to the surface of Ti2CO2 and B-doped graphene. The calculated diffusion-barrier energies (E-diff), which are between 0.3 and 0.4 eV depending on Li concentration, are quite promising for fast charge and discharge rates. Besides, the predicted E-diff as much as 2 eV for the diffusion of the Li atom from the Ti2CO2 surface to the B-doped graphene surface significantly suppresses the interlayer Li migration, which diminishes the charge and discharge rates. The calculated volume and lattice parameter changes indicate that Ti2CO2/graphene hybrid structures exhibit cyclic stability against Li loading and unloading. Consequently, first-principles calculations we perform evidently highlight the favorable effect of molecular intercalation on the capacity improvement of ion batteries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000473312000001 Publication Date 2019-07-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193755 Serial 8640  
Permanent link to this record
 

 
Author Mobaraki, A.; Sevik, C.; Yapicioglu, H.; Cakir, D.; Gulseren, O. doi  openurl
  Title Temperature-dependent phonon spectrum of transition metal dichalcogenides calculated from the spectral energy density: Lattice thermal conductivity as an application Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal  
  Volume 100 Issue 3 Pages 035402  
  Keywords (down) A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Predicting the mechanical and thermal properties of quasi-two-dimensional (2D) transition metal dichalco-genides (TMDs) is an essential task necessary for their implementation in device applications. Although rigorous density-functional-theory-based calculations are able to predict mechanical and electronic properties, mostly they are limited to zero temperature. Classical molecular dynamics facilitates the investigation of temperature-dependent properties, but its performance highly depends on the potential used for defining interactions between the atoms. In this study, we calculated temperature-dependent phonon properties of single-layer TMDs, namely, MoS2, MoSe2, WS2, and WSe2, by utilizing Stillinger-Weber-type potentials with optimized sets of parameters with respect to the first-principles results. The phonon lifetimes and contribution of each phonon mode in thermal conductivities in these monolayer crystals are systematically investigated by means of the spectralenergy-density method based on molecular dynamics simulations. The obtained results from this approach are in good agreement with previously available results from the Green-Kubo method. Moreover, detailed analysis of lattice thermal conductivity, including temperature-dependent mode decomposition through the entire Brillouin zone, shed more light on the thermal properties of these 2D crystals. The LA and TA acoustic branches contribute most to the lattice thermal conductivity, while ZA mode contribution is less because of the quadratic dispersion around the Brillouin zone center, particularly in MoSe2 due to the phonon anharmonicity, evident from the redshift, especially in optical modes, by increasing temperature. For all the considered 2D crystals, the phonon lifetime values are compelled by transition metal atoms, whereas the group velocity spectrum is dictated by chalcogen atoms. Overall, the lattice thermal conductivity is linearly proportional with inverse temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000473536400003 Publication Date 2019-07-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:193764 Serial 8645  
Permanent link to this record
 

 
Author De Jong, M.; Sleegers, N.; Florea, A.; Van Loon, J.; van Nuijs, A.L.N.; Samyn, N.; De Wael, K. url  doi
openurl 
  Title Unraveling the mechanisms behind the complete suppression of cocaine electrochemical signals by chlorpromazine, promethazine, procaine, and dextromethorphan Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 24 Pages 15453-15460  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre; Product development  
  Abstract The present work investigates the challenges accompanied by the electrochemical cocaine detection in physiological conditions (pH 7) in the presence of chlorpromazine, promethazine, procaine, and dextromethorphan, frequently used cutting agents in cocaine street samples. The problem translates into the absence of the cocaine oxidation signal (signal suppression) when in a mixture with one of these compounds, leading to false negative results. Although a solution to this problem was provided through earlier experiments of our group, the mechanisms behind the suppression are now fundamentally investigated via electrochemical and liquid chromatography quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS) strategies. The latter was used to confirm the passivation of the electrodes due to their interaction with promethazine and chlorpromazine. Electron transfer mechanisms were further identified via linear sweep voltammetry. Next, adsorption experiments were performed on the graphite screen printed electrodes both with and without potential assistance in order to confirm if the suppression of the cocaine signals is due to passivation induced by the cutting agents or their oxidized products. The proposed strategies allowed us to identify the mechanisms of cocaine suppression for each cutting agent mentioned. Suppression due to procaine and dextromethorphan is caused by fouling of the electrode surface by their oxidized forms, while for chlorpromazine and promethazine the suppression of the cocaine signal is related to the strong adsorption of these (nonoxidized) cutting agents onto the graphite electrode surface. These findings provide fundamental insights in possible suppression and other interfering mechanisms using electrochemistry in general not only in the drug detection sector.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000503910600018 Publication Date 2019-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited Open Access  
  Notes ; The authors acknowledge financial support from IOF-SBO/POC (UAntwerp) and the Fund for Scientific Research (FWO) Flanders, Grant 1S 37658 17N. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:165727 Serial 5887  
Permanent link to this record
 

 
Author Bottari, F.; Moro, G.; Sleegers, N.; Florea, A.; Cowen, T.; Piletsky, S.; van Nuijs, A.L.N.; De Wael, K. pdf  doi
openurl 
  Title Electropolymerized o-phenylenediamine on graphite promoting the electrochemical detection of nafcillin Type A1 Journal article
  Year 2019 Publication Electroanalysis Abbreviated Journal Electroanal  
  Volume 32 Issue 32 Pages 135-141  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre  
  Abstract By combining molecular modelling and electrochemistry we envision the creation of modified electrodes tailored for a more sensitive and selective detection of a single analyte. In this study we report on a graphite screen printed electrode modified with electropolymerized o-phenylenediamine, selected by rational design, which promotes the detection of nafcillin (NAF), an antibiotic. Parameters such as monomer concentration, pH and number of electropolymerization cycles were optimized to obtain the highest current signal for the target upon amperometric detection. NAF identification was based on the redox process at +1.1 V (vs pseudo Ag), ascribed to the oxidation of the C-7 side chain. With the optimized modification protocol, a two-fold increase in nafcillin signal could be obtained: the calibration plot in 0.1 M Britton-Robinson buffer pH 4 showed a limit of detection of 80 nM with improved sensitivity and reproducibility (RSD<5 %) compared to the detection at non-modified electrodes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000482596300001 Publication Date 2019-08-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1040-0397 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.851 Times cited 1 Open Access  
  Notes ; FB and GM devised the study and performed the experiments, FB wrote the original draft of the paper and analysed the data, NS and AvN performed the MS experiments, AF helped with the optimization of the protocol and correction of the first draft, TC and SP performed the rational monomer design, KdW supervised the work and corrected the final draft. All authors gave their suggestions and corrections to the final version of the paper. This work was financially supported by the University of Antwerp (BOF) and the Research Foundation Flanders (FWO). ; Approved Most recent IF: 2.851  
  Call Number UA @ admin @ c:irua:162870 Serial 5601  
Permanent link to this record
 

 
Author Schepens, T.; Janssens, K.; Maes, S.; Wildemeersch, D.; Vellinga, J.; Jorens, P.G.; Saldien, V. url  doi
openurl 
  Title Respiratory muscle activity after spontaneous, neostigmine- or sugammadex-enhanced recovery of neuromuscular blockade : a double blind prospective randomized controlled trial Type A1 Journal article
  Year 2019 Publication BMC anesthesiology Abbreviated Journal Bmc Anesthesiol  
  Volume 19 Issue 1 Pages 187  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract Background The use of neostigmine after neuromuscular blockade (NMB) has been associated with postoperative respiratory complications. In previous studies, we found lower diaphragmatic activity after neostigmine reversal of NMB, compared to sugammadex. It is still unclear whether the adequate use of neostigmine guarantees normal respiratory muscle function after NMB. In this study, we wanted to assess the effect of commonly used degrees of NMB and their possible reversal strategies on respiratory muscle activity after the return of normal neuromuscular transmission. Methods This is a randomized, controlled, parallel-group, single-centre, double-blind study in patients scheduled for intracranial surgery at a tertiary academic hospital in Belgium. All participants received target controlled propofol/remifentanil anesthesia and were randomized into one of five groups, receiving either a shallow NMB with no reversal (shallow/saline), a shallow NMB with sugammadex reversal (shallow/sugammadex), a moderate NMB with neostigmine reversal (moderate/neostigmine), a moderate NMB with sugammadex reversal (moderate/sugammadex), or a deep NMB with sugammadex reversal (deep/sugammadex). Primary and secondary outcome parameters were diaphragm and intercostal electromyographic (EMG) activity at the moment of resumed spontaneous breathing activity, defined as a maximal interval of 10 min after the first spontaneous breath. Results For the five groups, a total of 55 patients could be included in the final analysis. Median time of spontaneous breathing analyzed was 5 min (IQR 3-9.5 min). Both the moderate/sugammadex and the moderate/neostigmine groups had lower levels of diaphragm EMG compared to the shallow/sugammadex group. The moderate/neostigmine group had lower levels of intercostal EMG activity compared to the shallow/saline group. Conclusions In this study, the depth of neuromuscular blockade and type of reversal strategy impacts respiratory muscle activity at the moment of resumed spontaneous breathing and recovery of neuromuscular blockade. Both groups that received moderate NMB had lower levels of diaphragm EMG, compared to the shallow NMB group with sugammadex reversal. Compared to the shallow NMB group with no reversal, the moderate NMB with neostigmine reversal group had lower intercostal EMG activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000490976800001 Publication Date 2019-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1471-2253 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.525 Times cited Open Access  
  Notes ; This work was supported by an investigator-initiated project grant from Merck & Co (IISP 50678). Merck & Co had no role in study design, data collection and analysis, decision to publish or preparation of the manuscript. ; Approved Most recent IF: 1.525  
  Call Number UA @ admin @ c:irua:163713 Serial 5816  
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Author Moro, G.; De Wael, K.; Moretto, L.M. pdf  url
doi  openurl
  Title Challenges in the electrochemical (bio)sensing of non-electroactive food and environmental contaminants Type A1 Journal article
  Year 2019 Publication Current opinion in electrochemistry Abbreviated Journal  
  Volume 16 Issue 16 Pages 57-65  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The electrochemical detection of non-electroactive contaminants can be successfully faced via the use of indirect detection strategies. These strategies can provide sensitive and selective responses often coupled with portable and user-friendly analytical tools. Indirect detection strategies are usually based on the change in the signal of an electroactive probe, induced by the presence of the target molecule at a modified electrode. This critical review aims at addressing the developments in indirect electro-sensing strategies for non-electroactive contaminants in food and environmental analysis in the last years (2017-2019). Emphasis is given to the strategy design, the electrode modifiers used and the feasibility of technological transfer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000485814400010 Publication Date 2019-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2451-9103; 2451-9111 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:159574 Serial 5498  
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Author Moro, G.; Bottari, F.; Sleegers, N.; Florea, A.; Cowen, T.; Moretto, L.M.; Piletsky, S.; De Wael, K. pdf  doi
openurl 
  Title Conductive imprinted polymers for the direct electrochemical detection of beta-lactam antibiotics: The case of cefquinome Type A1 Journal article
  Year 2019 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 297 Issue 297 Pages 126786  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A biomimetic sensor for cefquinome (CFQ) was designed at multi-walled carbon nanotubes modified graphite screen-printed electrodes (MWCNTs-G-SPEs) as a proof-of-concept for the creation of a sensors array for beta-lactam antibiotics detection in milk. The sensitive and selective detection of antibiotic residues in food and environment is a fundamental step in the elaboration of prevention strategies to fight the insurgence of antimicrobial resistance (AMR) as recommended by authorities around the world (EU, WHO, FDA). The detection strategy is based on the characteristic electrochemical fingerprint of the target antibiotic cefquinome. A conducive electropolymerized molecularly imprinted polymer (MIP) coupled with MWCNTs was found to be the optimal electrode modifier, able to provide an increased selectivity and sensitivity for CFQ detection. The design of CFQ-MIP was facilitated by the rational selection of the monomer, 4-aminobenzoic acid (4-ABA). The electropolymerization process of 4-ABA have not been fully elucidated yet; for this reason a thorough study and optimization of electropolymerization conditions was performed to obtain a conducive and stable poly(4-ABA) film. The modified electrodes were characterized by electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and cyclic voltammetry (CV). CFQ-MIP were synthesized at MWCNT-G-SPEs by electropolyrnerization in pH approximate to 1 (0.1 M sulphuric acid) with a monomer:template ratio of 5:1. Two different analytical protocols were tested (single and double step detection) to minimize unspecific adsorptions and improve the sensitivity. Under optimal conditions, the lowest CFQ concentration detectable by square wave voltammetry (SWV) at the modified sensor was 50 nM in 0.1 M phosphate buffer pH 2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000478562700020 Publication Date 2019-07-08  
  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 4 Open Access  
  Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223. This work was also supported by FWO. ; Approved Most recent IF: 5.401  
  Call Number UA @ admin @ c:irua:161777 Serial 5549  
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Author Monico, L.; Sorace, L.; Cotte, M.; de Nolf, W.; Janssens, K.; Romani, A.; Miliani, C. url  doi
openurl 
  Title Disclosing the binding medium effects and the pigment solubility in the (photo)reduction process of chrome yellows (PbCrO4/PbCr1-xSxO4) Type A1 Journal article
  Year 2019 Publication ACS Omega Abbreviated Journal  
  Volume 4 Issue 4 Pages 6607-6619  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The darkening due to chemical alteration of chrome yellows (PbCrO4/PbCr1-xSxO4) is a phenomenon threatening a large number of 19th-20th century paintings, including the Amsterdam Sunflowers by Vincent van Gogh. Our earlier studies have proven that the alteration is due to a Cr(VI) -> Cr(III) reduction with Cr(V)-species that are formed as long-lived intermediates and that bCr(1-x)S(x)O(4) (0 < x <= 0.8) types undergo reduction more readily than monoclinic, S-free, PbCrO4. In this context, there is still lack of knowledge about the effects of the chemical properties of the binding medium (i.e., chemical composition and drying process) and the solubility of chrome yellows on the overall reduction pathways. Here, we study a series of naturally and photochemically aged mock-up paints prepared by mixing chrome yellow powders (PbCrO4/PbCr0.2S0.8O4) with either linseed oil or a water-based acrylic emulsion as the binding medium. Equivalent paints made up of the highly soluble K2CrO4 were also investigated and used as benchmarks to provide a more in-depth understanding of the influence of the solubility on the chromate reduction pathways in the two different binders. A combination of synchrotron radiation-based Cr K-edge X-ray absorption near edge structure (XANES), electron paramagnetic resonance (EPR), and UV-Visible spectroscopy measurements shows that: (1) the Cr(VI) reduction results from the interaction between the pigment and the binder; (2) the process is more significant in oil, giving rise to Cr(V)- and Cr(III)-species as well as oxidized organic compounds; (3) the lightfastness of the chrome yellow pigment is enhanced in the acrylic binder; and (4) the tendency toward chromium reduction increases with increasing solubility of the pigment. Based on our findings, we propose a scheme for the mechanism of the (photo)reduction process of chrome yellows in the oil and acrylic binder. Overall, our results provide new insights into the factors driving the degradation of lead chromate-based paints in artworks and contribute to the development of strategies for preserving them over time.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000466552500057 Publication Date 2019-04-10  
  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 4 Open Access  
  Notes ; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement n. 654028), and by the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022, funded by MIUR and University of Perugia. The University of Perugia is also acknowledged for financial support under the program “Ricerca di Base 2017”. L.S. acknowledges the financial support of Ente CRF. For the beamtime grants received, we thank the ESRF (experiment no. HG64 and in-house beamtimes). ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:160416 Serial 5577  
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Author Florea, A.; Cowen, T.; Piletsky, S.; De Wael, K. url  doi
openurl 
  Title Electrochemical analysis of cocaine in real samples based on electrodeposited biomimetic affinity ligands Type A1 Journal article
  Year 2019 Publication The analyst Abbreviated Journal Analyst  
  Volume 144 Issue 15 Pages 4639-4646  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A selective electrochemical sensor for direct detection of cocaine was developed based on molecularly imprinted polymers electropolymerized onto graphene-modified electrodes. Palladium nanoparticles were integrated in the sensing layer for the benefit of enhancing the communication between imprinted sites and electrode and improving their homogenous distribution. The molecularly imprinted polymer was synthesized by cyclic voltammetry using p-aminobenzoic acid as high affinity monomer selected by computational modeling, and cocaine as template molecule. Experimental parameters related to the electrochemical deposition of palladium nanoparticles, pH, composition of electropolymerization mixture, extraction and rebinding condition were studied and optimized. Under optimized conditions the oxidation peak current varied linearly with cocaine concentration in the range of 100-500 µM, with a detection limit of 50 µM (RSD 0.71%, n=3). The molecularly imprinted sensor was able to detect cocaine in saliva and river water with good recoveries after sample pretreatment and was successfully applied for screening real street samples for cocaine.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000476812000021 Publication Date 2019-06-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2654 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.885 Times cited 3 Open Access  
  Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. ; Approved Most recent IF: 3.885  
  Call Number UA @ admin @ c:irua:160062 Serial 5586  
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Author Florea, A.; Schram, J.; De Jong, M.; Eliaerts, J.; Van Durme, F.; Kaur, B.; Samyn, N.; De Wael, K. url  doi
openurl 
  Title Electrochemical strategies for adulterated heroin samples Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 12 Pages 7920-7928  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Electrochemical strategies to selectively detect heroin in street samples without the use of complicated electrode modifications were developed for the first time. For this purpose, heroin, mixing agents (adulterants, cutting agent, and impurities), and their binary mixtures were subjected to square wave voltammetry measurements at bare graphite electrodes at pH 7.0 and pH 12.0, in order to elucidate the unique electrochemical fingerprint of heroin and mixing agents as well as possible interferences or reciprocal influences. Adjusting the pH from pH 7.0 to pH 12.0 allowed a more accurate detection of heroin in the presence of most common mixing agents. Furthermore, the benefit of introducing a preconditioning step prior to running square wave voltammetry on the electrochemical fingerprint enrichment was explored. Mixtures of heroin with other drugs (cocaine, 3,4-methylenedioxymethamphetamine, and morphine) were also tested to explore the possibility of their discrimination and simultaneous detection. The feasibility of the proposed electrochemical strategies was tested on realistic heroin street samples from forensic cases, showing promising results for fast, on-site detection tools of drugs of abuse.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472682000056 Publication Date 2019-05-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 2 Open Access  
  Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. The authors also acknowledge IOF (UAntwerp) and Belspo for financial support. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:160061 Serial 5596  
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Author Morales-Yanez, F.; Trashin, S.; Hermy, M.; Sariego, I.; Polman, K.; Muyldermans, S.; De Wael, K. url  doi
openurl 
  Title Fast one-step ultrasensitive detection of toxocara canis antigens by a nanobody-based electrochemical magnetosensor Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 18 Pages 11582-11588  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Human toxocariasis (HT) is a cosmopolitan zoonotic disease caused by the migration of the larval stage of the roundworm Toxocara canis. Current HT diagnostic methods do not discriminate between active and past infections. Here, we present a method to quantify Toxocara excretory/secretory antigen, aiming to identify active cases of HT. High specificity is achieved by employing nanobodies (Nbs), single domain antigen binding fragments from camelid heavy chain-only antibodies. High sensitivity is obtained by the design of an electrochemical magnetosensor with an amperometric read-out. Reliable detection of TES antigen at 10 and 30 pg/mL level was demonstrated in phosphate buffered saline and serum, respectively. Moreover, the assay showed no cross-reactivity with other nematode antigens. To our knowledge, this is the most sensitive method to quantify the TES antigen so far. It also has great potential to develop point of care diagnostic systems in other conditions where high sensitivity and specificity are required.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000487156900016 Publication Date 2019-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 2 Open Access  
  Notes ; This project was funded by the Fonds Wetenschappelijk Onderzoek-Vlaanderen (FWO-Flanders, Project G.0189.13N) and BOF UAntwerp. The authors acknowledge Prof. Pierre Dorny (Institute of Tropical Medicine Antwerp) and Dr. Beatrice Nickel (Swiss Institute of Tropical Medicine) for providing the antigens needed for the cross-reactivity experiments. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:163784 Serial 5621  
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Author Amato, S.R.; Burnstock, A.; Cross, M.; Janssens, K.; Rosi, F.; Cartechini, L.; Fontana, R.; Dal Fovo, A.; Paolantoni, M.; Grazia, C.; Romani, A.; Michelin, A.; Andraud, C.; Tournie, A.; Dik, J. pdf  doi
openurl 
  Title Interpreting technical evidence from spectral imaging of paintings by Edouard Manet in the Courtauld Gallery Type A1 Journal article
  Year 2019 Publication X-ray spectrometry T2 – MA-XRF Workshop on Developments and Applications of Macro-XRF in, Conservation, Art, and Archeology, SEP 24-25, 2017, Trieste, ITALY Abbreviated Journal X-Ray Spectrom  
  Volume 48 Issue 4 Pages 282-292  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The paintings by edouard Manet in The Courtauld Gallery Dejeuner sur l'herbe (1863-68), Marguerite de Conflans en Toilette de Bal (1870-1880), Banks of the Seine at Argenteuil (1874), and A Bar at the Folies-Bergere (1882) were investigated for the first time using a range of non-invasive in situ analyses. The aims of the study were to investigate the painting techniques and materials used for this group of works and to critically evaluate the technical evidence derived from the integrated use of imaging techniques and portable spectroscopic methods in this context. The paintings were investigated by means of macro X-ray fluorescence (MA-XRF), reflection spectral imaging, portable UV-Vis-NIR spectroscopy, portable Raman spectroscopy, and reflection FTIR. MA-XRF and reflection spectral imaging allowed visualising elements in the compositions that were not visible using traditional methods of technical study. For example, MA-XRF analysis of Dejeuner sur l'herbe revealed elements of the development of the composition that provided new evidence to consider its relationship to other versions of the composition. The study also highlighted questions about the interpretation of elemental distribution maps and spectral images that did not correspond to the reworking visible in X-radiographs. For example, in A Bar at the Folies-Bergere Manet made numerous changes during painting, which were not clearly visualised with any of the techniques used. The research has wider implications for the study of Impressionist paintings, as the results will support technical studies of works by other artists of the period who used similar materials and painting methods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000472210700005 Publication Date 2018-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.298 Times cited Open Access  
  Notes ; Financial support by the Access to Research Infrastructures activity in the Horizon 2020 Programme of the EU (IPERION CH Grant agreement 654028) is gratefully acknowledged. ; Approved Most recent IF: 1.298  
  Call Number UA @ admin @ c:irua:161296 Serial 5670  
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Author Gaetani, C.; Gheno, G.; Borroni, M.; De Wael, K.; Moretto, L.M.; Ugo, P. pdf  url
doi  openurl
  Title Nanoelectrode ensemble immunosensing for the electrochemical identification of ovalbumin in works of art Type A1 Journal article
  Year 2019 Publication Electrochimica acta Abbreviated Journal Electrochim Acta  
  Volume 312 Issue 312 Pages 72-79  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This research is aimed to the study and application of an electrochemical immunosensor for the detection of ovalbumin (OVA) from egg white (or albumen) used as a binder in some works of art, such as some historical photographic prints and tempera paintings. The immunosensor takes advantage of the interesting biodetection capabilities offered by nanoelectrode ensembles (NEEs). The NEEs used to this aim are prepared by template deposition of gold nanoelectrodes within the pores of track-etched polycarbonate (PC) membranes. The affinity of polycarbonate for proteins is exploited to capture OVA from the aqueous extract obtained by incubation in phosphate buffer of a small sample fragment (<1 mg). The captured protein is reacted selectively with anti-OVA antibody, labelled with glucose oxidase (GOx). In the case of positive response, the addition of the GOx substrate (i.e. glucose) and a suitable redox mediator (a ferrocenyl derivative) reflects in the up rise of an electrocatalytic oxidation current, which depends on the OVA amount captured on the NEE, this amount correlating with OVA concentration in the extract. After optimization, the sensor is successfully applied to identify OVA in photographic prints dating back to the late 19th century, as well as in ancient tempera paintings from the 15th and 18th centuries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468595500008 Publication Date 2019-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.798 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 4.798  
  Call Number UA @ admin @ c:irua:159573 Serial 5743  
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Author Kosov, A.D.; Dubrinina, T.V.; Borisova, N.E.; Ivanov, A.V.; Drozdov, K.A.; Trashin, S.A.; De Wael, K.; Kotova, M.S.; Tomilova, L.G. pdf  url
doi  openurl
  Title Novel phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements : optimized synthetic protocols and physicochemical properties Type A1 Journal article
  Year 2019 Publication New journal of chemistry Abbreviated Journal New J Chem  
  Volume 43 Issue 7 Pages 3153-3161  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Novel synthetic protocols based on both template and multi-step methods were developed for phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements (Y, Eu, Gd, Dy, Er and Lu). p-Hydroquinone was employed as a reaction medium and as a reducing agent in the process of porphyrazine macrocycle formation. Both thermal and microwave irradiation techniques were successfully applied for activation of the template macrocyclization process. An alternative multi-step approach involving the initial stage of free-base ligand formation was realized for the lutetium compound. The target complexes were identified by high-resolution mass spectrometry, infrared spectroscopy and nuclear magnetic resonance (NMR) spectroscopy. Electrochemical behavior in solution and UV-vis absorbance in solutions and films were studied as well. Shifts in the position of the Q band and oxidationreduction potentials in comparison with corresponding phthalocyanine analogues were noticed. Using the IR absorption spectra recorded in the temperature range of 170300 K, the position of the Fermi level of −4.7 ± 0.1 eV and a characteristic energy diagram were obtained for the erbium complex.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459944500035 Publication Date 2019-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.269 Times cited 1 Open Access  
  Notes ; We are grateful for main financial support from the Russian Foundation for Basic Research (Grant No. 16-33-60005 and 18-33-00519). Investigation of optical properties was supported by the Russian Science Foundation (Grant 17-13-01197). Electrochemical investigations were supported by ERA.Net RUS Plus Plasmon Electrolight and FWO funding (RFBR No. 18-53-76006 ERA). We also thank the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grants MK-3115.2018.3) and partial support from the framework of the State Assignment of 2019 (Theme 45.5 Creation of compounds with given physicochemical properties). Investigation of electrophysical properties was supported by the RFBR (Grant 16-07-00961). K. A. Drozdov and M. S. Kotova thank Prof. L. I. Ryabova for productive discussion of the electrophysical data. ; Approved Most recent IF: 3.269  
  Call Number UA @ admin @ c:irua:156555 Serial 5750  
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Author Neven, L.; Thiruvottriyur Shanmugam, S.; Rahemi, V.; Trashin, S.; Sleegers, N.; Carrion, E.N.; Gorun, S.M.; De Wael, K. pdf  url
doi  openurl
  Title Optimized photoelectrochemical detection of essential drugs bearing phenolic groups Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 15 Pages 9962-9969  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The World Health Organization (WHO) model “List of Essential Medicines” includes among indispensable medicines antibacterials and pain and migraine relievers. Monitoring their concentration in the environment, while challenging, is important in the context of antibiotic resistance as well as their production of highly toxic compounds via hydrolysis. Traditional detection methods such as high-performance liquid chromatography (HPLC) or LC combined with tandem mass spectrometry or UV-vis spectroscopy are time-consuming, have a high cost, require skilled operators and are difficult to adapt for field operations. In contrast, (electrochemical) sensors have elicited interest because of their rapid response, high selectivity, and sensitivity as well as potential for on-site detection. Previously, we reported a novel sensor system based on a type II photosensitizer, which combines the advantages of enzymatic sensors (high sensitivity) and photoelectrochemical sensors (easy baseline subtraction). Under red-light illumination, the photosensitizer produces singlet oxygen which oxidizes phenolic compounds present in the sample. The subsequent reduction of the oxidized phenolic compounds at the electrode surface gives rise to a quantifiable photocurrent and leads to the generation of a redox cycle. Herein we report the optimization in terms of pH and applied potential of the photoelectrochemical detection of the hydrolysis product of paracetamol, i.e., 4-aminophenol (4-AP), and two antibacterials, namely, cefadroxil (CFD, beta-lactam antibiotic) and doxycycline (DXC, tetracycline antibiotic). The optimized conditions resulted in a detection limit of 0.2 mu mol L-1 for DXC, but in a 10 times higher sensitivity, 20 nmol L-1, for CFD. An even higher sensitivity, 7 nmol L-1, was noted for 4-AP.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000480499200086 Publication Date 2019-06-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 2 Open Access  
  Notes ; FWO and UA-BOF are acknowledged for financial support. The Center for Functional Materials of Seton Hall University is thanked for support (S.M.G. and E.N.C.). Joren Van Loon is thanked for the graphical abstract. This research was supported by the medium scale research infrastructure funding Hercules funding (SEM). ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:161831 Serial 5763  
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Author Alvarez-Martin, A.; Cleland, T.P.; Kavich, G.M.; Janssens, K.; Newsome, G.A. pdf  doi
openurl 
  Title Rapid evaluation of the debromination mechanism of eosin in oil paint by direct analysis in real time and direct infusion-electrospray ionization mass spectrometry Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 16 Pages 10856-10863  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Eosin is a synthetic organic colorant prone to fading under the influence of light. On the basis of the growing interest in the understanding of the discoloration mechanism of eosin-based lakes, this study compares the ability of two ultrafast and ultrasensitive mass spectrometry techniques to detect eosin derivatives in complex matrices, such as oil media without the use of conventional separation columns or additional sample preparation protocols. Direct analysis in real time mass spectrometry (DART-MS) and direct infusion electrospray ionization mass spectrometry (DI-ESI-MS) were used to characterize the degradation pathway of eosin in oil media. The analysis protocols developed in this study are applied to discern the degradation mechanism of the lake pigment eosin (comprising the molecule per se complexed to an inorganic substrate) dispersed in linseed oil to create an oil paint. The analysis of oil paints by high resolution MS without an extraction methodology that modifies the system chemistry allowed us to identify the degradation forms without causing any additional fragmentation. Both techniques revealed the primary photodegradation pathway of eosin in linseed oil, and DI-ESI-MS provided additional information on the native conformation of the lake.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000482545300069 Publication Date 2019-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 3 Open Access  
  Notes ; The authors would like to acknowledge the SolarPaint project (GOA program, Antwerp University Research Council) and Smithsonian Institution for financial support. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:162879 Serial 5800  
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Author Terzano, R.; Denecke, M.A.; Falkenberg, G.; Miller, B.; Paterson, D.; Janssens, K. url  doi
openurl 
  Title Recent advances in analysis of trace elements in environmental samples by X-ray based techniques (IUPAC Technical Report) Type A1 Journal article
  Year 2019 Publication Pure and applied chemistry Abbreviated Journal Pure Appl Chem  
  Volume 91 Issue 6 Pages 1029-1063  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Trace elements analysis is a fundamental challenge in environmental sciences. Scientists measure trace elements in environmental media in order to assess the quality and safety of ecosystems and to quantify the burden of anthropogenic pollution. Among the available analytical techniques, X-ray based methods are particularly powerful, as they can quantify trace elements in situ. Chemical extraction is not required, as is the case for many other analytical techniques. In the last few years, the potential for X-ray techniques to be applied in the environmental sciences has dramatically increased due to developments in laboratory instruments and synchrotron radiation facilities with improved sensitivity and spatial resolution. In this report, we summarize the principles of the X-ray based analytical techniques most frequently employed to study trace elements in environmental samples. We report on the most recent developments in laboratory and synchrotron techniques, as well as advances in instrumentation, with a special attention on X-ray sources, detectors, and optics. Lastly, we inform readers on recent applications of X-ray based analysis to different environmental matrices, such as soil, sediments, waters, wastes, living organisms, geological samples, and atmospheric particulate, and we report examples of sample preparation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000471262400011 Publication Date 2019-05-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0033-4545 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.626 Times cited 3 Open Access  
  Notes ; This document was developed as a part of IUPAC, Funder Id: http://dx.doi.org/ 10.13039/100006987, Project #2016-019-2-600 “Trace elements analysis of environmental samples with X-rays: from synchrotron to lab and from lab to synchrotron” led by Roberto Terzano (Task Group Chair). Task Group Members for this project were: Melissa Anne Denecke, Gerald Falkenberg, Armin Gross, Koen Janssens, Bradley Miller, David Paterson, Ryan Tappero, Fang-Jie Zhao. Their contribution to the project is gratefully acknowledged. ; Approved Most recent IF: 2.626  
  Call Number UA @ admin @ c:irua:161369 Serial 5803  
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Author Moro, G.; Cristofori, D.; Bottari, F.; Cattaruzza, E.; De Wael, K.; Moretto, L.M. url  doi
openurl 
  Title Redesigning an electrochemical MIP sensor for PFOS : practicalities and pitfalls Type A1 Journal article
  Year 2019 Publication Sensors Abbreviated Journal Sensors-Basel  
  Volume 19 Issue 20 Pages 4433  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract There is a growing interest in the technological transfer of highly performing electrochemical sensors within portable analytical devices for the in situ monitoring of environmental contaminants, such as perfluorooctanesulfonic acid (PFOS). In the redesign of biomimetic sensors, many parameters should be taken into account from the working conditions to the electrode surface roughness. A complete characterization of the surface modifiers can help to avoid time-consuming optimizations and better interpret the sensor responses. In the present study, a molecularly imprinted polymer electrochemical sensor (MIP) for PFOS optimized on gold disk electrodes was redesigned on commercial gold screen-printed electrodes. However, its performance investigated by differential pulse voltammetry was found to be poor. Before proceeding with further optimization, a morphological study of the bare and modified electrode surfaces was carried out by scanning electron microscopy-energy-dispersive X-ray spectrometry (SEM-EDS), atomic force microscopy (AFM) and profilometry revealing an heterogeneous distribution of the polymer strongly influenced by the electrode roughness. The high content of fluorine of the target-template molecule allowed to map the distribution of the molecularly imprinted polymer before the template removal and to define a characterization protocol. This case study shows the importance of a multi-analytical characterization approach and identify significant parameters to be considered in similar redesigning studies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000497864700081 Publication Date 2019-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1424-8220 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.677 Times cited Open Access  
  Notes ; ; Approved Most recent IF: 2.677  
  Call Number UA @ admin @ c:irua:164686 Serial 5808  
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Author Vanmeert, F.; De Keyser, N.; van Loon, A.; Klaassen, L.; Noble, P.; Janssens, K. url  doi
openurl 
  Title Transmission and reflection mode macroscopic x-ray powder diffraction imaging for the noninvasive visualization of paint degradation in still life paintings by Jan Davidsz. de Heem Type A1 Journal article
  Year 2019 Publication Analytical chemistry Abbreviated Journal Anal Chem  
  Volume 91 Issue 11 Pages 7153-7161  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The use of noninvasive chemical imaging techniques is becoming more widespread for the study of cultural heritage artifacts. Recently a mobile instrument for macroscopic X-ray powder diffraction (MA-XRPD) scanning was developed, which is capable of visualizing the distribution of crystalline (pigment) phases in quasi-flat-painted artifacts. In this study, MA-XRPD is used in both transmission and reflection mode for the analysis of three 17th century still life paintings, two paintings by Jan Davidsz. de Heem (1606-1684) and one copy painting after De Heem by an unknown artist. MA-XRPD allowed to reveal and map the presence of in situ-formed alteration products. In the works examined, two rare lead arsenate minerals, schultenite (PbHAsO4) and mimetite (Pb-5(AsO4)(3)Cl), were encountered, both at and below the paint surface; they are considered to be degradation products of the pigments realgar (alpha-As4S4) and orpiment (As2S3). In transmission mode, the depletion of lead white, present in the (second) ground layer, could be seen, illustrating the intrusive nature of this degradation process. In reflection mode, several sulfate salts, palmierite (K2Pb(SO4)(2)), syngenite (K2Ca(SO4)(2)center dot H2O), and gypsum (CaSO4 center dot 2H(2)O), could be detected, in particular, at the (top) surface of the copy painting. Estimates for the information depth and sensitivity of both transmission and reflection mode MA-XRPD for various pigments have been made. The possibility of MA-XRPD to allow for noninvasive identification and visualization of alteration products is considered a significant advantage and unique feature of this method. MA-XRPD can thus provide highly relevant information for assessing the conservation state of artworks and could guide possible future restoration treatments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000470793800031 Publication Date 2019-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited 5 Open Access  
  Notes ; The authors acknowledge financial support from BELSPO (Brussels) S2-ART and METOX projects, the NWO (The Hague) Science4Arts “ReVisRembrandt” project, and the GOA Project Solarpaint (University of Antwerp Research Council). The authors thank the Rijksmuseum, the Royal Museum of Fine Arts Antwerp, and their staff for the collaborations. ; Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:160245 Serial 5882  
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Author Gonzalez, V.; Cotte, M.; Vanmeert, F.; de Nolf, W.; Janssens, K. pdf  doi
openurl 
  Title X-ray diffraction mapping for cultural heritage science : a review of experimental configurations and applications Type A1 Journal article
  Year 2019 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 26 Issue 26 Pages 1703-1719  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract X-ray diffraction (XRD) mapping consists in the acquisition of XRD patterns at each pixel (or voxel) of an area (or volume). The spatial resolution ranges from the micrometer (mu XRD) to the millimeter (MA-XRD) scale, making the technique relevant for tiny samples up to large objects. Although XRD is primarily used for the identification of different materials in (complex) mixtures, additional information regarding the crystallite size, their orientation, and their in-depth distribution can also be obtained. Through mapping, these different types of information can be located on the studied sample/object. Cultural heritage objects are usually highly heterogeneous, and contain both original and later (degradation, conservation) materials. Their structural characterization is required both to determine ancient manufacturing processes and to evaluate their conservation state. Together with other mapping techniques, XRD mapping is increasingly used for these purposes. Here, the authors review applications as well as the various configurations for XRD mapping (synchrotron/laboratory X-ray source, poly-/monochromatic beam, micro/macro beam, 2D/3D, transmission/reflection mode). On-going hardware and software developments will further establish the technique as a key tool in heritage science.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000501927300001 Publication Date 2019-10-14  
  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 5.317 Times cited Open Access  
  Notes ; M.C. thanks the KNAW for supporting her stays in the Netherlands through the Descartes Huygens price. V.G. and M.C. thank the Center of Research and Restoration of French Museums (C2RMF), Paris and in particular Myriam Eveno, for the collaboration on Rembrandt's impastos (Figure 7). M.C. is indebted to the Afghan government, NRICPT and in particular, Yoko Taniguchi for providing samples shown in Figure 5. K.J. and F.V. acknowledge the University of Antwerp Research Council for financial support via GOA project SolarPaint as well as InterReg project Smart*Light. FWO projects G057419N and G056619N are also acknowledged. The authors also wish to acknowledge the Van Gogh and Kroller-Muller museums, the Rijksmuseum, the Royal Museum of Fine Arts Antwerp and the Louvre museum for the constructive and inspiring collaborations in the past decade. Various beam lines and the staff at ESRF and DESY are thanked for providing beam time and support during experiments. ; Approved Most recent IF: 5.317  
  Call Number UA @ admin @ c:irua:165061 Serial 5911  
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Author Peeters, B.; Daems, D.; Van der Donck, T.; Delport, F.; Lammertyn, J. doi  openurl
  Title Real-time FO-SPR monitoring of solid-phase DNAzyme cleavage activity for cutting-edge biosensing Type A1 Journal article
  Year 2019 Publication ACS applied materials and interfaces Abbreviated Journal  
  Volume 11 Issue 7 Pages 6759-6768  
  Keywords (down) A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract DNA nanotechnology has a great potential in biosensor design including nanostructuring of the biosensor surface through DNA origami, target recognition by means of aptamers, and DNA-based signal amplification strategies. In this paper, we use DNA nanotechnology to describe for the first time the concept of real-time solid-phase monitoring of DNAzyme cleavage activity for the detection of specific single-stranded DNA (ssDNA) with a fiber optic surface plasmon resonance (FO-SPR) biosensor. Hereto, we first developed a robust ligation strategy for the functionalization of the FO-SPR biosensing surface with ssDNA-tethered gold nanoparticles, serving as the substrate for the DNAzyme. Next, we established a relation between the SPR signal change, due to the cleavage activity of the 10–23 DNAzyme, and the concentration of the DNAzyme, showing faster cleavage kinetics for higher DNAzyme concentrations. Finally, we implemented this generic concept for biosensing of ssDNA target in solution. Hereto, we designed a DNAzyme–inhibitor complex, consisting of an internal loop structure complementary to the ssDNA target, that releases active DNAzyme molecules in a controlled way as a function of the target concentration. We demonstrated reproducible target detection with a theoretical limit of detection of 1.4 nM, proving that the presented ligation strategy is key to a universal DNAzyme-based FO-SPR biosensing concept with promising applications in the medical and agrofood sector.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459642200008 Publication Date 2019-01-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:160132 Serial 8457  
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