| Records |
| Author |
Mendonça Verbinnen, C.D. |
| Title |
Development of semiconductor-based photoelectrochemical sensing strategies for phenolic compounds in natural and supply water |
Type |
Doctoral thesis |
| Year |
2022 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
152 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
A wide variety of organic and inorganic compounds have been frequently released into the environment without control by industries and agricultural activities. This has caused significant impact on the development and health of living organisms, and biodiversity. Therefore, the challenge of monitoring and/or remediation of these contaminants remains. This thesis presents the development of three sensing strategies based on photoelectrochemical sensors to monitor phenolic contaminants. The well-known semiconductors TiO2 and ZnO were used for building novel setups for nM analysis of phenolic compounds in water. The setups employing TiO2-based photosensors were integrated into a photoelectrochemical flow cell. The flow system favored higher sensitivity of the method by periodic wash sequences of the electrode, significantly reducing the electrode fouling. Firstly, a straightforward method was developed based on the immobilization of TiO2 on screen printed graphite electrodes. Under UV light, the developed photosensor presented high performance for the detection of 4- aminophenol. A second study was developed by impregnating gold nanoparticles into TiO2 structure. The incorporation of gold nanoparticles can broaden the light absorption region of TiO2 and improve its photocatalytic activity for the detection of hydroquinone under visible light. In both systems, the detection was possible due to the presence of reactive oxygen species at the surface of TiO2 upon light, which participate in the oxidation process of the analyte. By applying a reductive potential, the oxidized form of the analyte gets reduced and a measurable amperometric response proportional to the initial analyte concentration is recorded. The third proposed setup is a ZnO-based photosensor for the quantification of 4-nitrophenol under UVA light. Nanostructured ZnO was electrochemically synthesized on FTO glass without the use of catalysts or seed layer. A post-growth annealing treatment significantly improved ZnO nanorods physicochemical properties. Subsequent modification of ZnO nanorods with a photosensitizer (perylene acid) increased the photocurrent response and the sensitivity. In this system, the detection mechanism is based on the decrease of the photocurrent response at the presence of an electron harvesting molecule, such as 4-nitrophenol. The decrease in photocurrent is proportional to the increase of 4-nitrophenol concentration in the solution. The applicability of the photoelectrochemical semiconductor-based sensing setups was verified to analyze phenolic compounds in natural and supply water samples. The proposed robust and sensitive approaches were designed for the on-site monitoring of phenolic compounds. The encouraging results confirm the potential of these photosensors as promising tools for tracelevel sensing purposes. |
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no |
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UA @ admin @ c:irua:186763 |
Serial |
8850 |
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| Author |
Slavkovic, S.; Shoara, A.A.; Churcher, Z.R.; Daems, E.; De Wael, K.; Sobott, F.; Johnson, P.E. |
| Title |
DNA binding by the antimalarial compound artemisinin |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Scientific reports |
Abbreviated Journal |
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| Volume |
12 |
Issue |
1 |
Pages |
133 |
| Keywords |
A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
Artemisinin (ART) is a vital medicinal compound that is used alone or as part of a combination therapy against malaria. ART is thought to function by attaching to heme covalently and alkylating a range of proteins. Using a combination of biophysical methods, we demonstrate that ART is bound by three-way junction and duplex containing DNA molecules. Binding of ART by DNA is first shown for the cocaine-binding DNA aptamer and extensively studied using this DNA molecule. Isothermal titration calorimetry methods show that the binding of ART is both entropically and enthalpically driven at physiological NaCl concentration. Native mass spectrometry methods confirm DNA binding and show that a non-covalent complex is formed. Nuclear magnetic resonance spectroscopy shows that ART binds at the three-way junction of the cocaine-binding aptamer, and that binding results in the folding of the structure-switching variant of this aptamer. This structure-switching ability was exploited using the photochrome aptamer switch assay to demonstrate that ART can be detected using this biosensing assay. This study is the first to demonstrate the DNA binding ability of ART and should lay the foundation for further work to study implications of DNA binding for the antimalarial activity of ART. |
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000740510500120 |
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2022-01-07 |
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2045-2322 |
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UA library record; WoS full record; WoS citing articles |
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OpenAccess |
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no |
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UA @ admin @ c:irua:184507 |
Serial |
8851 |
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| Author |
Vizarim, N.P. |
| Title |
Dynamic behavior of Skyrmions under the influence of periodic pinning in chiral magnetic infinite thin films |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
212 p. |
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
The miniaturization of transistors for application in new processors and logic devices poses a significant challenge in the field of materials. Spintronics, which relies on controlled movement of magnetic nanostructures, offers a promising solution. Among the candidates, magnetic skyrmions are considered one of the most promising. These chiral spin structures, characterized by topological protection and enhanced stability compared to vortices or magnetic bubbles, have been extensively studied. To advance in the control of skyrmion motion, essential for practical applications, we investigated their dynamic behavior in a two-dimensional chiral magnet at zero temperature. Our study focused on the influence of periodic arrays of pinning centers. The simulations considered skyrmions as point-like particles considering the following interactions: skyrmion-skyrmion interactions, interactions with pinning center arrays, a current of polarized spins, and the Magnus force. We conducted calculations for scenarios involving a single skyrmion as well as different skyrmion density values in the material. The aim was to explore possibilities for controlled skyrmion motion, investigate different dynamic regimes, and examine collective effects. The results demonstrate that by adjusting the size, strength, and density of the pinning centers, we can effectively control the motion of individual skyrmions and manage the flow of multiple skyrmions. Furthermore, we discovered that periodic arrays of pinning centers can facilitate topological selection when different species of skyrmions with distinct Magnus components are present. Employing alternating currents, we observed the significant role of the ratchet effect in the skyrmion dynamics. By fine-tuning the amplitudes of the alternating currents, we achieved direct and controlled motion of skyrmions in specific directions. These findings hold potential for advancing our understanding of skyrmion dynamics and can inspire future technological applications involving these quasi-particles. Overall, we anticipate that our results will be valuable to the scientific community, contributing to a deeper comprehension of skyrmion dynamics and paving the way for future technological applications. |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:198101 |
Serial |
8852 |
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| Author |
Joosten, F.; Parrilla, M.; van Nuijs, A.L.N.; Ozoemena, K.Id; De Wael, K. |
| 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 |
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| 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. |
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Wos |
000882442300001 |
Publication Date |
2022-10-13 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
OpenAccess |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:191107 |
Serial |
8855 |
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Van Echelpoel, R.; Schram, J.; Parrilla, M.; Daems, D.; Slosse, A.; Van Durme, F.; De Wael, K. |
| Title |
Electrochemical methods for on-site multidrug detection at festivals |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Sensors & Diagnostics |
Abbreviated Journal |
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| 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. |
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Publication Date |
2022-06-01 |
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OpenAccess |
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no |
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UA @ admin @ c:irua:188521 |
Serial |
8856 |
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Truta, F.; Drăgan, A.-M.; Tertis, M.; Parrilla, M.; Slosse, A.; Van Durme, F.; De Wael, K.; Cristea, C. |
| 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 |
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| Volume |
23 |
Issue |
13 |
Pages |
6193-18 |
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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. |
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Wos |
001033277900001 |
Publication Date |
2023-07-07 |
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Edition |
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1424-8220 |
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UA library record; WoS full record; WoS citing articles |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:198181 |
Serial |
8857 |
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Montiel, F.N.; Parrilla, M.; Sleegers, N.; Van Durme, F.; van Nuijs, A.L.N.; De Wael, K. |
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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 |
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| Volume |
436 |
Issue |
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Pages |
141446-11 |
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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. |
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000914833800003 |
Publication Date |
2022-10-27 |
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0013-4686 |
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Additional Links |
UA library record; WoS full record |
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Open Access |
OpenAccess |
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Approved |
no |
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UA @ admin @ c:irua:191622 |
Serial |
8858 |
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| Author |
Hassani, H. |
| Title |
First-principles study of polarons in WO₃ |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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| Volume |
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Issue |
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Pages |
181 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
Polarons are quasiparticles emerging in materials from the interaction of extra charge carriers with the surrounding atomic lattice. They appear in a wide va- riety of compounds and can have a profound impact on their properties, making the concept of a polaron a central and ubiquitous topic in material science. Al- though the concept is known for about 75 years, the origin of polarons is not yet fully elucidated. This thesis focuses on WO 3 as a well-known prototypical system for studying polarons, which inherent polaronic nature is linked to its remark- able electrical and chromic properties. The primary objective of this research is to provide a comprehensive atomistic description and understanding of polaron formation in WO 3 using first-principles density functional theory (DFT) calcula- tions. Additionally, the investigation explores the interactions between polarons and the possibility of bipolaron formation. Following a systematic strategy, we first extensively analyze the dielectric and lattice dynamical properties of WO 3 in both the room-temperature P 2 1 /n and ground-state P 2 1 /c phases. Our specific focus is on characterizing the zone-center phonons, which serve as the founda- tion for identifying the phonon modes involved in the polaron formation and charge localization process. Subsequently, we examine the impact of structural distortions on the electronic structure of WO 3 to elucidate the interplay between structural distortions and electronic properties, thereby laying the groundwork for understanding electron-phonon couplings. By incorporating these critical fac- tors, we address our primary research goals. The most common explanation for the polaron formation is associated with the electrostatic screening of the extra charge by the polarizable lattice. Here, we show that, even in ionic crystals, this is not necessarily the case. We demonstrate that polarons in this compound arise primarily from non-polar atomic distortions. We then unveil that this unexpected behavior originates from the undoing of distortive atomic motions, which lowers the bandgap. As such, we coin the name of anti-distortive polaron and validate its appearance through a simple quantum-dot model, in which charge localization is the result of balancing structural, electronic, and confinement energy costs. Then, we also study the polaron-polaron interaction and present the formation of the antiferromagnetic W 4+ bipolaronic state with relatively large formation energy. Our analysis of the W 4+ bipolaronic distortions on the global structure reveals the same behavior as in experiments where the highly distorted monoclinic phase transforms into a tetragonal phase as a function of doping. Additionally, leveraging our previous findings on asymmetric polaronic distortion and examin- ing different merging orientations, we stabilize the antiferromagnetic W 5+ -W 5+ bipolaronic state with an energy lower than the W 4+ state. This thesis clari- fies the formation of unusual medium-size 2D polarons and bipolarons in WO3,which might be relevant to the whole family of ABO 3 perovskites, to which WO 3 is closely related. The simplicity of the concept provides also obvious guidelines for tracking similar behavior in other families of compounds. |
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Open Access |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:198169 |
Serial |
8868 |
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| Author |
Gielis, J. |
| Title |
Fred Van Oystaeyen : Time hybrids: a new generic theory of reality |
Type |
Review |
| Year |
2023 |
Publication |
Symmetry, Culture and Science |
Abbreviated Journal |
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| Volume |
34 |
Issue |
3 |
Pages |
347-351 |
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Review; Sustainable Energy, Air and Water Technology (DuEL) |
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OpenAccess |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199538 |
Serial |
8871 |
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Moro, G.; Foumthuim, C.J.D.; Spinaci, M.; Martini, E.; Cimino, D.; Balliana, E.; Lieberzeit, P.; Romano, F.; Giacometti, A.; Campos, R.; De Wael, K.; Moretto, L.M. |
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How perfluoroalkyl substances modify fluorinated self-assembled monolayer architectures : an electrochemical and computational study |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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1204 |
Issue |
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Pages |
339740-12 |
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A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
There is an urgent need for sensing strategies to screen perfluoroalkyl substances (PFAS) in aqueous matrices. These strategies must be applicable in large-scale monitoring plans to face the ubiquitous use of PFAS, their wide global spread, and their fast evolution towards short-chain, branched molecules. To this aim, the changes in fluorinated self-assembled monolayers (SAM) with different architectures (pinholes/defects-free and with randomized pinholes/defects) were studied upon exposure to both long and short-chain PFAS. The applicability of fluorinated SAM in PFAS sensing was evaluated. Changes in the SAM structures were characterised combining electrochemical impedance spectroscopy and voltam-metric techniques. The experimental data interpretation was supported by molecular dynamics simu-lations to gain a more in-depth understanding of the interaction mechanisms involved. Pinhole/defect-free fluorinated SAM were found to be applicable to long-chain PFAS screening within switch-on sensing strategy, while a switch-off sensing strategy was reported for screening of both short/long-chain PFAS. These strategies confirmed the possibility to play on fluorophilic interactions when designing PFAS screening methods.(c) 2022 Elsevier B.V. All rights reserved. |
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000789493000010 |
Publication Date |
2022-03-17 |
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0003-2670; 1873-4324 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
Not_Open_Access |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:188658 |
Serial |
8880 |
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| Author |
Wittner, N. |
| Title |
Improving and characterising solid-state fungal pretreatment by Phanerochaete chrysosporium for sugar production from poplar wood |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
206 p. |
| Keywords |
Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE) |
| Abstract |
Pretreatment is a critical step in the conversion of lignocellulose into biofuels and biochemicals. During pretreatment, the recalcitrance of lignocellulose is reduced, e.g. by removing lignin, thereby making the carbohydrates more accessible for enzymatic saccharification. Fungal delignification by white-rot fungi is a biotechnological alternative to chemical/physicochemical methods, which is carried out in solid-state fermentation with mild reaction conditions and without the formation of microbial inhibitors. However, fungal pretreatment presents some challenges, such as long pretreatment time, non-selective and low delignification, low enzymatic digestibility and feedstock sterilisation requirement, making its commercial implementation challenging compared to conventional methods. This study investigates the possibility of improving and characterising the solid-state fungal pretreatment of poplar wood by Phanerochaete chrysosporium. The individual and combined effects of MnSO4 and CuSO4 supplements on the delignification of sterilised wood are investigated using response surface methodology to improve the degree and selectivity of fungal delignification. Spore-inoculated solid-state fermentations are carried out for 4 weeks in sterile vented bottles. The mechanism of the concerted action of the metal ions on lignin degradation is then elucidated by relating fungal growth and ligninolytic enzyme activities to lignocellulose degradation as a function of pretreatment time. The optimised metal-supplemented system is then applied to the pretreatment of non-sterilised wood using different inoculation techniques (spores and pre-colonised substrate), nutrients (metal ions with or without glucose and sodium nitrate) and cultivation environments (sterile aerated bottles and open trays). The fermentations are then characterised using infrared spectroscopy, in particular NIR and ATR-FTIR spectroscopy, with the aim of developing rapid lignin quantification methods as an alternative to conventional wet chemical methods. Finally, the feasibility of producing fermentable sugars from sterilised and non-sterilised poplar wood using fungal pretreatment is evaluated through a techno-economic analysis. Supplementing the pretreatment system with 2.01 µmol CuSO4 and 0.77 µmol MnSO4 g-1 wood resulted in 1.9-fold higher lignin degradation, 2.3-fold higher delignification selectivity value and 2.9-fold higher glucose yield. The improved delignification could be explained by the concerted action of Mn2+ and Cu2+ ions, with Mn2+ ions inducing and Cu2+ prolonging manganese peroxidase production responsible for delignification. Fungal pretreatment at non-sterile conditions was obtained using trays in a simple solid-state fermentation set-up without sterile aeration. A 1:3 ratio of pre-colonised and untreated wood was applied for inoculation and only Cu2+, Mn2+ and sodium nitrate as supplements. Remarkably, this technology resulted in a comparably high glucose yield (28.51 ± 0.28%) to the traditional method using sterilised wood, sterile aeration and spores as inoculum, while reducing the amount of wood to be sterilised by 71.2%. Infrared spectroscopy-based methods with high coefficients of determination (R_CV |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:197185 |
Serial |
8883 |
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| Author |
Van Putte, N. |
| Title |
Improving groundwater dynamics : a key factor for successful tidal marsh restoration |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
166 p. |
| Keywords |
Doctoral thesis; Sustainable Energy, Air and Water Technology (DuEL); Ecosphere |
| Abstract |
Tidal marshes take up and release certain elements from and to the river water. Hence, they act as a filter, improving the estuarine water quality. This filtering function depends on the interaction between the marsh soil and water that infiltrates into the marsh platform at high tide and seeps out of the creek banks at low tide. In the past centuries, many tidal marshes disappeared due to large scale land reclamations, together with their associated ecosystem services. Nowadays, tidal marshes are increasingly restored on formerly embanked agricultural areas to regain these ecosystem services. Here, we studied the effect of historical agricultural land use on the contribution of restored tidal marshes to water quality improvement, and we investigated several solutions to stimulate the water quality improving function in newly restored tidal marshes. In restored tidal marshes, the soil is often compacted due to the historical agricultural land use, leading to a reduced organic matter content and micro- and macroporosity. In this compacted soil, groundwater flow is hindered, leading to a more waterlogged soil and reduced groundwater dynamics in the restored marsh as compared to a natural marsh. The depth of groundwater drainage and the groundwater flow velocity have important implications for the processes that contribute to water quality improvement, e.g. removal of nitrogen, phosphorus retention and silica cycling. Where groundwater drains deeper, i.e. in the vicinity of tidal creeks and in a more porous soil, these processes are promoted. We suggest that, in newly restored tidal marshes, the soil porosity can be increased by amending the soil (e.g. with organic matter), and the distance to the nearest tidal creek can be reduced by creek excavation. Numerical modelling showed that the largest gain in groundwater dynamics and seepage was attained when both measures were applied together. The effect of organic soil amendments on groundwater dynamics and nutrient cycling was further explored in a large scale in situ mesocosm experiment. Where the soil was amended, groundwater drained deeper and nitrogen removal increased. For new tidal marsh restoration projects, we advise to conduct an explorative soil study. When the soil is heavily compacted, design measures, such as creek initiation and organic soil amendments can be applied to jumpstart the contribution to water quality improvement of newly restored tidal marshes. |
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Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:196965 |
Serial |
8884 |
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| Author |
Huang, L.; Ratkowsky, D.A.; Hui, C.; Gielis, J.; Lian, M.; Shi, P. |
| Title |
Inequality measure of leaf area distribution for a drought-tolerant landscape plant |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Plants |
Abbreviated Journal |
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| 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. |
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Wos |
001065193100001 |
Publication Date |
2023-08-31 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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| ISSN |
2223-7747 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
OpenAccess |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199564 |
Serial |
8886 |
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| Author |
Drăgan, A.-M. |
| Title |
Investigation of the electrochemical behaviour of illicit substances and their redox pathways in the development of nanomaterial-modified platforms for decentralized analysis |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
169 p. |
| Keywords |
Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199086 |
Serial |
8892 |
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Yu, R.; Zeng, W.; Zhou, L.; Van Tendeloo, G.; Mai, L.; Yao, Z.; Wu, J. |
| 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 |
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| 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. |
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001048074500001 |
Publication Date |
2023-06-30 |
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UA library record; WoS full record; WoS citing articles |
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OpenAccess |
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Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:198299 |
Serial |
8893 |
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Shi, P.; Gielis, J.; Niklas, K.J.; Niinemets, Ü.; Schrader, J. |
| Title |
Leaf functional traits : ecological and evolutionary implications |
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ME3 Book as editor |
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2023 |
Publication |
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Issue |
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Pages |
185 p. |
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ME3 Book as editor; Sustainable Energy, Air and Water Technology (DuEL) |
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Publication Date |
2023-04-14 |
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ISBN |
978-2-8325-2086-4; 1664-8714 |
Additional Links |
UA library record |
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OpenAccess |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:198002 |
Serial |
8894 |
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Wagaarachchige, J.D.; Idris, Z.; Arstad, B.; Kummamuru, N.B.; Sætre, K.A.S.; Halstensen, M.; Jens, K.-J. |
| Title |
Low-viscosity nonaqueous sulfolane–amine–methanol solvent blend for reversible CO2 capture |
Type |
A1 Journal article |
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2022 |
Publication |
Industrial and engineering chemistry research |
Abbreviated Journal |
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61 |
Issue |
17 |
Pages |
5942-5951 |
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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. |
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Publication Date |
2022-04-25 |
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0888-5885; 1520-5045 |
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OpenAccess |
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UA @ admin @ c:irua:199111 |
Serial |
8895 |
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De Meyer, S. |
| Title |
Macroscopic X-ray powder diffraction in reflection mode : a new technique for chemical imaging of artworks |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Issue |
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Pages |
285 p. |
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Doctoral thesis; Engineering sciences. Technology; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
| Abstract |
Scientific research into cultural heritage has significantly grown in importance over the past decades. The growing popularity of macroscopic imaging techniques such as X-ray fluorescence or Fourier transform infrared now means that conservators and restorers have access to highly objective information on the chemical composition of a painting without the necessity for destructive sampling. As many works of art are heterogeneous on the macroscopic scale, it is clear that solely relying on microscopic samples does not provide sufficiently representative information on the condition of a painting and that macroscopic imaging techniques should be considered a crucial part of the analytical toolkit for conservation science. The goal of this research has been to investigate the added value of reflection-mode macroscopic X-ray powder diffraction (MA-XRPD) for scientific and art historical investigations of cultural heritage artefacts. A prototype scanner was developed after careful consideration of the individual components. This mobile instrument allows for the analysis of flat objects such as oil paintings with reflection MA-XRPD. In this manner images can be obtained that show the distribution of crystalline components present at the surface of the stratigraphy. These crystalline materials can originate from different sources and include original pigments and non-original pigments. MA-XRPD offers novel insights into original pigments such as ultramarine, copper sulfates and lead white. In Girl with a Pearl Earring by Vermeer the MA-XRPD instrument was used to prove that Vermeer used multiple subtypes of lead white to achieve subtle optical effects while in the painting The Night Watch by Rembrandt the lead white composition was studied in detail; multiple rare lead-based compounds were identified that could be linked to the usage of specific driers in the oil paint. By investigating the presence of degradation products, MA-XRPD can be used to assess the conservation state of an artwork. Secondary alteration products were identified in paintings by Nellius and Mignon, explaining why the paintings had visually deteriorated over time. MA-XRPD registered the presence of lead arsenates which were formed from the original yellow arsenic-based orpiment. By combining microscopic and macroscopic analysis, a chemical degradation pathway for the conversion of the unstable orpiment pigment was proposed. In this manner, MA-XRPD can also be used to provide highly valuable information for conservators and restorers by pinpointing areas that have undergone degradation and to guide sampling campaigns. |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:198766 |
Serial |
8896 |
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Ma, X.; Pavlidis, G.; Dillon, E.; Beltran, V.; Schwartz, J.J.; Thoury, M.; Borondics, F.; Sandt, C.; Kjoller, K.; Berrie, B.H.; Centrone, A. |
| Title |
Micro to nano : multiscale IR analyses reveal zinc soap heterogeneity in a 19th-century painting by Corot |
Type |
A1 Journal article |
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2022 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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94 |
Issue |
7 |
Pages |
3103-3110 |
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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. |
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000766206700011 |
Publication Date |
2022-02-09 |
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0003-2700; 5206-882x |
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Additional Links |
UA library record; WoS full record; WoS full record; WoS citing articles |
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Open Access |
OpenAccess |
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no |
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UA @ admin @ c:irua:187380 |
Serial |
8897 |
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Ysebaert, T. |
| Title |
Modelling and experimental validation of deposition on vegetation to facilitate urban particulate matter mitigation |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
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Abbreviated Journal |
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Issue |
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Pages |
xxvi, 234 p. |
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Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Exposure to air pollution, such as particulate matter (PM), causes adverse health effects, particularly to the respiratory tract and cardiovascular system. PM is the collective name for all kinds of particles ranging from small particles and liquid droplets, which contain organic compounds, acids and metals, to soil or dust particles. One distinguishes PM10, PM2.5 and PM0.1, which have aerodynamic particle sizes smaller than 10, 2.5 and 0.1 µm, respectively. It is mainly the latter that is the most harmful, as PM0.1 penetrates deep into the respiratory system and carries relatively more toxic substances than the other PM fractions. Over a 15-year period, PM concentrations in European member states have fallen by about 30%. Nevertheless, the World Health Organisation (WHO) air quality guidelines, which became stricter in 2021, are exceeded in most places around the world. Particularly in cities, excessive levels of PM are measured and it is here that PM mitigation should be investigated. For this, the implementation of urban green infrastructure, including trees, shrubs, green roofs and green walls, is being looked at. Plants hinder airflow and remove PM from the air by deposition on their leaves and branches. This process is known as dry deposition. Plants can capture PM very efficiently, due to their complex structure of leaves and branches. Green walls offer significant advantages over other types of urban green infrastructure because they can grow on the huge available wall area and, because they do not hinder air circulation, as we sometimes see with trees. Green walls are believed to have a much greater, untapped potential to reduce PM pollution. However, a literature review showed that we do not know the quantitative impact of green walls and lack the tools and/or general methodology to do so. The objective of this thesis is therefore to develop a method for assessing PM removal by green walls, based on predictive models and based on relevant parameters that are experimentally determined. Computational fluid dynamics (CFD) is a numerical method to simulate airflow in complex environments such as cities. These models can also simulate the vegetation-wind interaction in detail and are interesting tools to assess the effect of green walls on PM concentrations in real environments. It is important to first study the aerodynamic effect of green walls and parameterise it correctly in CFD models. Plants decrease the wind speed and create turbulence through a combination of viscous and form drag, which are determined by the permeability (K) and drag coefficient (Cd), respectively. Wind tunnel experiments were conducted with three commonly found climbers (Hedera helix, Parthenocissus tricuspidata and Parthenocissus quinquefolia) and the variation of leaf area density was investigated for two of them. It was observed that the air resistance depended on plant species, leaf area density and wind speed. The difference between the plant species was assigned to the functional leaf size (FLS), the ratio of the largest circle within the boundaries of the leaf to the total leaf area. FLS is likely associated with other morphological characteristics of plants that, when considered collectively, provide a more comprehensive representation of leaf complexity. The pressure and velocity measurements obtained were used to optimise the permeability and drag coefficient in a CFD model. At wind speeds below 0.6 m s-1, the resistance was mainly determined by viscous drag and a larger leaf size resulted in a higher viscous drag. At wind speeds above 1.5 m s-1, form drag was dominant and the parameterised Cd decreased with increasing wind speed due to the sheltering effect of successive plant elements. The leaf area density had a significant effect on K and Cd and, is therefore an important plant parameters in CFD models. The main conclusion here is that the common practice of using a constant Cd to model the influence of plants on the air flow leads to deviations from reality. Wind tunnels are highly suitable to study the impact of green walls on PM concentration under controlled environmental conditions. For this purpose, a new wind tunnel setup was built and great attention was paid to obtaining a uniform air flow. Thus, based on CFD models, appropriate flow controllers were chosen, consisting of honeycombs and screens with different mesh sizes. New PM generation devices and measuring equipment were installed and set up appropriately. Devices were available for generating and measuring ultrafine dust (<0.1 µm, i.e. PM0.1) and fine dust (<0.3 µm, i.e. PM0.3) consisting of soot particles, and, on the other hand, fine dust with particle sizes smaller than 2.5 (PM2.5) and 10 µm (PM10) consisting of 'Arizona fine test dust'. With the new wind tunnel setup, it was possible to measure the influence of Hedera helix (common ivy), grown in a planter against a climbing aid, on the PM concentration and this was expressed by a collection efficiency, i.e. the difference in concentration in front and behind the plants normalised for the incoming concentration. The collection efficiency of H. helix depended on the particle size of the PM and wind speed. The collection efficiency decreased when the particle size increased from 0.02 to 0.2 µm and increased again for particle sizes above 0.3 µm. The collection efficiency also increased with increasing wind speed, especially for particle sizes > 0.03 µm. On the other hand, relative humidity and the type of PM (soot or dust) did not significantly affect the collection efficiency. The main objective of this study was to obtain an optimised size-resolved deposition model. Dry deposition occurs through several mechanisms, in particular gravity, diffusion, impaction and interception, and the subsequent resuspension of deposited PM back to the environment. The modelling of these mechanisms was described by \citet{Zhang2001} and \citet{Petroff2010}. The data obtained from the wind tunnel experiments allowed validating these deposition models. It was for the first time that deposition of real PM on green walls was studied. The different PM deposition mechanisms were found to be strongly dependent on particle size and wind speed. The models of \citet{Zhang2001} and \citet{Petroff2010} each matched PM concentration measurements for only certain particle sizes. Therefore, a combination of the two models was investigated and the root mean square error was lower by on average 3.5% (PM < 0.03 µm) and 46% (PM > 0.03 µm) compared to the original models at wind speeds greater than 1.5 m s-1. For wind speeds less than 1.5 m s-1, the optimised model did not differ from the original models. The optimised model was able to meet the imposed criteria for air quality models, where a correct model exhibits low deviation from measurements ('normalised mean square error' < 1.5), low bias ('fractional bias' between -0.3 and 0.3) and high R2. In comparison, the R$2$ of the optimised model was 0.57, while that of Zhang et al. (2001) and Petroff et al. (2010) was 0.23 and 0.31, respectively. The optimised model was however characterised by a high scatter, with the fraction of modeled results located within a factor of two of the measurements being lower than 50. A model study with a green façade oriented parallel to the incoming airflow showed that deposition by interception and impaction reduced remarkably, but that the orientation had no effect on deposition by Brownian diffusion. A promising green wall form for PM mitigation is the living wall system (LWS). LWS consist of supporting structures with substrate to grow plants in and can be planted with a variety of plant species. This allows to select plant species with optimal characteristics to achieve PM deposition. These characteristics refer to the macro- and microstructure of the leaves, and research has been conducted mainly on these. On the other hand, the influence of the supporting structure and substrate on PM concentrations has rarely been studied. With the new wind tunnel setup, LWS from different manufacturers were tested for their ability to capture PM. The setups were subjected for three hours to an air flow with a low PM concentration (resuspension phase) and then for three hours to an air flow to which additional PM was added (deposition phase). Some setups were able to decrease the PM concentration during both phases, while others just caused the concentration to increase. Some systems were able to reduce particulate matter concentration during both phases, namely LWS consisting of planters (-2% and -4% for PM0.1 and PM2.5, respectively) and textile cloths (-23% and -5% for PM0.1 and PM2.5, respectively). While other systems actually resulted in an increase in concentration especially LWS existing textile fabrics consisting of geotextiles (+11% for both PM fractions) and with moss as substrate (+2% and +5% for PM0.1 and PM2.5, respectively). This highlights the importance of careful selection of suspension systems to reduce particulate matter concentrations. Further research is therefore needed on the materials used in these systems in relation to their particulate content, as well as on plant development in these systems. In addition to air measurements, measurements were taken of the amount of PM deposited on the leaves and suspension system of LWS. This allowed the difference in PM resuspension and deposition between plant species to be investigated. The amount of deposited particulate matter was determined based on 'saturation isothermal remanent magnetisation' (SIRM), a measure of magnetisable particulate matter. This was possible because the added 'Arizona fine test dust' contained iron oxide. However, no significant difference was observed between the SIRM values measured before the wind tunnel experiment, after resuspension and after deposition. This suggested that the iron oxide content in the Arizona fine test dust was too low to measure a significant difference in the SIRM values on leaves after three hours. The plant species did give rise to different SIRM values ranging between 5 and 260 µ A. In particular, SIRM values above 26 µ A were observed for the plant species that were grouped due to their significantly higher accumulation of PM. 'Specific leaf area' (SLA), specifically the ratio of the one-sided 'fresh' leaf area to its dry mass, was the significant leaf characteristic. SLA correlated with leaf complexity. In particular, plant species with elongated leaves were characterized by low SLA, high FLS and high complexity and showed significantly higher SIRM values. Finally, the optimised size-resolved deposition model was also tested in an urban model to get an idea of the impact of a green wall on PM concentrations in a so-called 'street canyon'. These are narrow streets with high buildings on both sides, making air pollution more persistent. To this end, an ideal scenario was tested in which a green wall was introduced along both sides of the street over a length of about 270 m. The model result showed a decrease in PM2.5 and PM10 of 46 ± 12% and 52 ± 14%. This result is of course for a very optimal scenario where the green wall covers the entire building façades. Since this is not feasible in reality, other ways of promoting contact between green walls and polluted air can be explored. The insights obtained illustrate that the use of climbing plants can be a cost-effective and environmentally friendly solution to reduce PM concentrations. Moreover, the findings showed that models can be used to investigate the impact of green walls on PM levels. These findings fit within the broader context of designing healthy and sustainable urban environments and developing innovative solutions based on solid scientific knowledge. |
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Place of Publication |
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Editor |
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| Language |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199439 |
Serial |
8900 |
| Permanent link to this record |
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| |
| Author |
Neven, L.; Barich, H.; Rutten, R.; De Wael, K. |
| 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. |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000837838400003 |
Publication Date |
2022-07-20 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:189428 |
Serial |
8906 |
| Permanent link to this record |
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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. |
| 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 |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000903165200001 |
Publication Date |
2022-12-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
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| ISSN |
2470-1343 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
|
Open Access |
OpenAccess |
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:193391 |
Serial |
8908 |
| Permanent link to this record |
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| |
| Author |
Faust, V.; Boon, N.; Ganigué, R.; Vlaeminck, S.E.; Udert, K.M. |
| Title |
Optimizing control strategies for urine nitrification : narrow pH control band enhances process stability and reduces nitrous oxide emissions |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Frontiers in environmental science |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
|
Pages |
1275152-14 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Nitrification is well-suited for urine stabilization. No base dosage is required if the pH is controlled within an appropriate operating range by urine feeding, producing an ammonium-nitrate fertilizer. However, the process is highly dependent on the selected pH set-points and is susceptible to process failures such as nitrite accumulation or the growth of acid-tolerant ammonia-oxidizing bacteria. To address the need for a robust and reliable process in decentralized applications, two different strategies were tested: operating a two-position pH controller (inflow on/off) with a narrow pH control band at 6.20/6.25 (∆pH = 0.05, narrow-pH) vs. a wider pH control band at 6.00/6.50 (∆pH = 0.50, wide-pH). These variations in pH also cause variations in the chemical speciation of ammonia and nitrite and, as shown, the microbial production of nitrite. It was hypothesized that the higher fluctuations would result in greater microbial diversity and, thus, a more robust process. The diversity of nitrifiers was higher in the wide-pH reactor, while the diversity of the entire microbiome was similar in both systems. However, the wide-pH reactor was more susceptible to tested process disturbances caused by increasing pH or temperature, decreasing dissolved oxygen, or an influent stop. In addition, with an emission factor of 0.47%, the nitrous oxide (N2O) emissions from the wide-pH reactor were twice as high as the N2O emissions from the narrow-pH reactor, most likely due to the nitrite fluctuations. Based on these results, a narrow control band is recommended for pH control in urine nitrification. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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Wos |
001087861500001 |
Publication Date |
2023-10-10 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
2296-665x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199585 |
Serial |
8909 |
| Permanent link to this record |
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| |
| Author |
Schram, J.; Parrilla, M.; Slosse, A.; Van Durme, F.; Åberg, J.; Björk, K.; Bijvoets, S.M.; Sap, S.; Heerschop, M.W.J.; De Wael, K. |
| Title |
Paraformaldehyde-coated electrochemical sensor for improved on-site detection of amphetamine in street samples |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Microchemical journal |
Abbreviated Journal |
|
| Volume |
179 |
Issue |
|
Pages |
107518-107519 |
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
The increasing illicit production, distribution and abuse of amphetamine (AMP) poses a challenge for law enforcement worldwide. To effectively combat this issue, fast and portable tools for the on-site screening of suspicious samples are required. Electrochemical profile (EP)-based sensing of illicit drugs has proven to be a viable option for this purpose as it allows rapid voltammetric measurements via the use of disposable and low-cost graphite screen-printed electrodes (SPEs). In this work, a highly practical paraformaldehyde (PFA)-coated sensor, which unlocks the detectability of primary amines through derivatization, is developed for the on-site detection of AMP in seized drug samples. A potential interval was defined at the sole AMP peak (which is used for identification of the target analyte) to account for potential shifts due to fluctuations in concentration and temperature, which are relevant factors for on-site use. Importantly, it was found that AMP detection was not hindered by the presence of common diluents and adulterants such as caffeine, even when present in high amounts. When inter-drug differentiation is desired, a simultaneous second test with the same solution on an unmodified electrode is introduced to provide the required additional electrochemical information. Finally, the concept was validated by analyzing 30 seized AMP samples (reaching a sensitivity of 96.7 %) and comparing its performance to that of commercially available Raman and Fourier Transform Infrared (FTIR) devices. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000809675500010 |
Publication Date |
2022-04-26 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:188454 |
Serial |
8910 |
| Permanent link to this record |
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| |
| Author |
Scandura, G.; Eid, S.; Alnajjar, A.A.; Paul, T.; Karanikolos, G.N.; Shetty, D.; Omer, K.; Alqerem, R.; Juma, A.; Wang, H.; Arafat, H.A.; Dumee, L.F. |
| Title |
Photo-responsive metal-organic frameworks – design strategies and emerging applications in photocatalysis and adsorption |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Materials Advances |
Abbreviated Journal |
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| Volume |
4 |
Issue |
5 |
Pages |
1258-1285 |
| Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Stimuli-responsive metal-organic frameworks (MOFs) are highly versatile porous materials with the ability to respond to different external stimuli, including temperature, pressure, pH, and light. The MOF properties can switch reversibly under specific light irradiation, opening the doors to various applications. This review focuses on design strategies to obtain photo-responsive MOFs, namely (i) encapsulation of photo-switchable molecules as guests in MOF porous structures, (ii) fabrication of MOF composites, (iii) post-synthesis modification, and (iv) synthesis of MOFs with photo-responsive ligands. The most recent reports from the literature are herein reviewed and analyzed in terms of material chemistry and performance. Comparisons between the different strategies are performed and future challenges are discussed. The critical aspect of the fatigue of photo-responsive MOFs applied for prolonged cycling of irradiation is also discussed. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000938241000001 |
Publication Date |
2023-02-24 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199418 |
Serial |
8913 |
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| Author |
De Micco, V.; Amitrano, C.; Mastroleo, F.; Aronne, G.; Battistelli, A.; Carnero-Diaz, E.; De Pascale, S.; Detrell, G.; Dussap, C.-G.; Ganigué, R.; Jakobsen, Ø.M.; Poulet, L.; Van Houdt, R.; Verseux, C.; Vlaeminck, S.E.; Willaert, R.; Leys, N. |
| Title |
Plant and microbial science and technology as cornerstones to Bioregenerative Life Support Systems in space |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
NPJ microgravity |
Abbreviated Journal |
|
| Volume |
9 |
Issue |
1 |
Pages |
69-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
| Abstract |
Long-term human space exploration missions require environmental control and closed Life Support Systems (LSS) capable of producing and recycling resources, thus fulfilling all the essential metabolic needs for human survival in harsh space environments, both during travel and on orbital/planetary stations. This will become increasingly necessary as missions reach farther away from Earth, thereby limiting the technical and economic feasibility of resupplying resources from Earth. Further incorporation of biological elements into state-of-the-art (mostly abiotic) LSS, leading to bioregenerative LSS (BLSS), is needed for additional resource recovery, food production, and waste treatment solutions, and to enable more self-sustainable missions to the Moon and Mars. There is a whole suite of functions crucial to sustain human presence in Low Earth Orbit (LEO) and successful settlement on Moon or Mars such as environmental control, air regeneration, waste management, water supply, food production, cabin/habitat pressurization, radiation protection, energy supply, and means for transportation, communication, and recreation. In this paper, we focus on air, water and food production, and waste management, and address some aspects of radiation protection and recreation. We briefly discuss existing knowledge, highlight open gaps, and propose possible future experiments in the short-, medium-, and long-term to achieve the targets of crewed space exploration also leading to possible benefits on Earth. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
001093834300001 |
Publication Date |
2023-08-24 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
2373-8065 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:199050 |
Serial |
8916 |
| Permanent link to this record |
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| |
| Author |
Friedrich, T. |
| Title |
Quantifying atomic structures using neural networks from 4D scanning transmission electron microscopy (STEM) datasets |
Type |
Doctoral thesis |
| Year |
2023 |
Publication |
|
Abbreviated Journal |
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| Volume |
|
Issue |
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Pages |
127 p. |
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanoscience and nanotechnologies are of immense importance across many fields of science and for numerous practical applications. In this context, scanning transmission electron microscopy (STEM) and 4D-STEM are among the most powerful characterization methods at the atomic scale. Annular dark-field (ADF)-STEM can be used to quantify atomic structures in 3D by counting atoms based on a single projection image. In 4D-STEM a full diffraction pattern is recorded at each scan step, which enables more dose efficient imaging and the utilization of various advanced imaging modalities, which can however be complex and slow. Both, STEM and 4D-STEM suffer from noise and distortions. In the first section of this work the most important of these distortions are discussed and it is shown how image restoration with a dedicated convolutional neural network (CNN) can be beneficial for atomic structure quantifications in ADF-STEM. In the second part, a new 4D-STEM imaging method real-time-integrated-centre-of-mass (riCOM) is introduced, which is a very dose-efficient and fast algorithm that enables unprecedented live-imaging capabilities for 4D-STEM. It is based on the integrated centre-of-mass approach, but is reformulated with variable integration ranges and optional filters, which allows for a tunable contrast transfer function. This enables the imaging of light and heavy elements simultaneously at very low doses. In the third part another new 4D-STEM method, coined AIRPI (AI-assisted rapid phase imaging) is introduced, which uses a CNN to retrieve a patch of the specimen's phase image for each scan position, based on the diffraction patterns in the probe's immediate surroundings. This allows also live imaging in principle and surpasses comparable state-of-the-art algorithms in terms of resolution also at low doses. Different atomic columns can be reliably distinguished over a wide range of atomic numbers, enabling a very good image interpretability. Further, AIRPI can recover low frequency image components, which preserves thickness information. This is a unique and important feature which could make quantitative 4D-STEM feasible. |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
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Publication Date |
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| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
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ISBN |
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Additional Links |
UA library record |
| Impact Factor |
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Times cited |
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Open Access |
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| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ admin @ c:irua:196826 |
Serial |
8919 |
| Permanent link to this record |
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| |
| Author |
Parrilla, M.; Slosse, A.; Van Echelpoel, R.; Montiel, F.N.; Langley, A.R.; Van Durme, F.; De Wael, K. |
| Title |
Rapid on-site detection of illicit drugs in smuggled samples with a portable electrochemical device |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Chemosensors |
Abbreviated Journal |
|
| Volume |
10 |
Issue |
3 |
Pages |
108-116 |
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
The smuggling of illicit drugs urges the development of new tools for rapid on-site identification in cargos. Current methods rely on presumptive color tests and portable spectroscopic techniques. However, these methods sometimes exhibit inaccurate results due to commonly used cutting agents, the colorful nature of the sample or because the drugs are smuggled in common goods. Interestingly, electrochemical sensors can deal with these specific problems. Herein, an electrochemical device is presented that uses affordable screen-printed electrodes for the electrochemical profiling of several illicit drugs by square-wave voltammetry (SWV). The identification of the illicit compound is based on the oxidation potential of the analyte. Hence, a library of electrochemical profiles is built upon the analysis of illicit drugs and common cutting agents. This library allows the design of a tailor-made script that enables the identification of each drug through a user-friendly interface (laptop or mobile phone). Importantly, the electrochemical test is compared by analyzing 48 confiscated samples with other portable devices based on Raman and FTIR spectroscopy as well as a laboratory standard method (i.e., gas chromatography-mass spectrometry). Overall, the electrochemical results, obtained through the analysis of different samples from confiscated cargos at an end-user site, present a promising alternative to current methods, offering low-cost and rapid testing in the field. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000775813500001 |
Publication Date |
2022-03-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
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Series Issue |
|
Edition |
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| ISSN |
2227-9040 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
| Notes |
|
Approved |
no |
| Call Number |
UA @ admin @ c:irua:187766 |
Serial |
8920 |
| Permanent link to this record |
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| |
| Author |
de Jong, M.; Van Echelpoel, R.; Langley, A.R.; Eliaerts, J.; van den Berg, J.; De Wilde, M.; Somers, N.; Samyn, N.; De Wael, K. |
| Title |
Real-time electrochemical screening of cocaine in lab and field settings with automatic result generation |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Drug testing and analysis |
Abbreviated Journal |
|
| Volume |
14 |
Issue |
8 |
Pages |
1471-1481 |
| Keywords |
A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
This work presents the results of a novel application for the fast on-site screening of cocaine and its main cutting agents in suspicious and confiscated samples. The methodology behind the novel application consists of portable electrochemical detection coupled with a peak-recognition algorithm for automated result output generation, validated both in laboratory and field settings. Currently used field tests, predominantly colorimetric tests, are lacking accuracy, often giving false positive or negative results. This presses the need for alternative approaches to field testing. By combining portable electrochemical approaches with peak-recognition algorithms, an accuracy of 98.4% concerning the detection of cocaine was achieved on a set of 374 powder samples. In addition, the approach was tested on multiple 'smuggled', colored cocaine powders and cocaine mixtures in solid and liquid states, typically in matrices such as charcoal, syrup and clothing. Despite these attempts to hide cocaine, our approach succeeded in detecting cocaine during on-site screening scenarios. This feature presents an advantage over colorimetric and optical detection techniques, which can fail with colored sample matrices. This enhanced accuracy on smuggled samples will lead to increased efficiency in confiscation procedures in the field, thus significantly reducing societal economic and safety concerns and highlighting the potential for electrochemical approaches in on-the-spot identification of drugs of abuse. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000790965700001 |
Publication Date |
2022-04-23 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
1942-7603; 1942-7611 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:187767 |
Serial |
8921 |
| Permanent link to this record |
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| Author |
Ortiz-Aguayo, D.; Ceto, X.; De Wael, K.; del Valle, M. |
| Title |
Resolution of opiate illicit drugs signals in the presence of some cutting agents with use of a voltammetric sensor array and machine learning strategies |
Type |
A1 Journal article |
| Year |
2022 |
Publication |
Sensors and actuators : B : chemical |
Abbreviated Journal |
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| Volume |
357 |
Issue |
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Pages |
131345 |
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
| Abstract |
In the present work, the resolution and quantification of mixtures of different opiate compounds in the presence of common cutting agents using an electronic tongue (ET) is evaluated. More specifically, ternary mixtures of heroin, morphine and codeine were resolved in the presence of caffeine and paracetamol. To this aim, an array of three carbon screen-printed electrodes were modified with different ink-like solutions of graphite, cobalt (II) phthalocyanine and palladium, and their responses towards the different drugs were characterized by means of square wave voltammetry (SWV). Developed sensors showed a good performance with good linearity at the mu M level, LODs between 1.8 and 5.3 mu M for the 3 actual drugs, and relative standard deviation (RSD) ca. 2% for over 50 consecutive measurements. Next, a quantitative model that allowed the identification and quantification of the individual substances from the overlapped voltammograms was built using partial least squares regression (PLS) as the modeling tool. With this approach, quantification of the different drugs was achieved at the mu M level, with a total normalized root mean square error (NRMSE) of 0.084 for the test subset. |
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Thesis |
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Place of Publication |
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Editor |
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| Language |
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Wos |
000745113900003 |
Publication Date |
2021-12-31 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
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Series Issue |
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Edition |
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| ISSN |
0925-4005 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
| Notes |
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Approved |
no |
| Call Number |
UA @ admin @ c:irua:185446 |
Serial |
8922 |
| Permanent link to this record |
