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Author |
Steijlen, A.S.M.; Parrilla, M.; Van Echelpoel, R.; De Wael, K. |
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Title |
Dual microfluidic sensor system for enriched electrochemical profiling and identification of illicit drugs on-site |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
96 |
Issue |
1 |
Pages |
590-598 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Electrochemical sensors have emerged as a new analytical tool for illicit drug detection to facilitate ultrafast and accurate identification of suspicious compounds on-site. Drugs of abuse can be identified using their unique voltammetric fingerprint at a given pH. Today, the right buffer solution is manually selected based on drug appearance, and in some cases, a consecutive analysis in two different pH solutions is required. In this work, we present a disposable microfluidic multichannel sensor system that automatically records fingerprints in two pH solutions (e.g., pH 5 and pH 12). This system has two advantages. It will overcome the manual selection of a buffer solution at the right pH, decrease analysis time, and minimize the risk of human errors. Second, the combination of two fingerprints, the superfingerprint, contains more detailed information about the samples, which enhances the selectivity of the analytical technique. First, real-time pH measurements proved that the sample can be brought to the desired pH within a minute. Subsequently, an electrochemical study on the microfluidic platform with 1 mM illicit drug standards of MDMA, cocaine, heroin, and methamphetamine showed that the characteristic voltammetric fingerprints and peak potentials are reproducible, also in the presence of common cutting agents. Finally, the microfluidic concept was validated with real confiscated samples, showing promising results for the user-friendly identification of drugs of abuse. In short, this paper presents a successful proof-of-concept study of a multichannel microfluidic sensor system to enrich the fingerprints of illicit drugs at pH 5 and pH 12, thus providing a low-cost, portable, and rapid identification system of illicit drugs with minimal user intervention. |
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Wos |
001139443500001 |
Publication Date |
2023-12-28 |
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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 |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.4 |
Times cited  |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 7.4; 2024 IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:201877 |
Serial |
9024 |
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Author |
McLachlan, G.; Majdak, P.; Reijniers, J.; Mihocic, M.; Peremans, H. |
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Title |
Dynamic spectral cues do not affect human sound localization during small head movements |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Frontiers in neuroscience |
Abbreviated Journal |
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Volume |
17 |
Issue |
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Pages |
1027827-10 |
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Keywords |
A1 Journal article; Psychology; Condensed Matter Theory (CMT); Engineering Management (ENM) |
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Abstract |
Natural listening involves a constant deployment of small head movement. Spatial listening is facilitated by head movements, especially when resolving front-back confusions, an otherwise common issue during sound localization under head-still conditions. The present study investigated which acoustic cues are utilized by human listeners to localize sounds using small head movements (below ±10° around the center). Seven normal-hearing subjects participated in a sound localization experiment in a virtual reality environment. Four acoustic cue stimulus conditions were presented (full spectrum, flattened spectrum, frozen spectrum, free-field) under three movement conditions (no movement, head rotations over the yaw axis and over the pitch axis). Localization performance was assessed using three metrics: lateral and polar precision error and front-back confusion rate. Analysis through mixed-effects models showed that even small yaw rotations provide a remarkable decrease in front-back confusion rate, whereas pitch rotations did not show much of an effect. Furthermore, MSS cues improved localization performance even in the presence of dITD cues. However, performance was similar between stimuli with and without dMSS cues. This indicates that human listeners utilize the MSS cues before the head moves, but do not rely on dMSS cues to localize sounds when utilizing small head movements. |
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Wos |
000938567400001 |
Publication Date |
2023-02-03 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
1662-4548; 1662-453x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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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 |
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Call Number |
UA @ admin @ c:irua:194507 |
Serial |
9025 |
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Author |
Matnazarova, S.; Khalilov, U.; Yusupov, M. |
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Title |
Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Molecular simulation |
Abbreviated Journal |
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Volume |
49 |
Issue |
17 |
Pages |
1575-1581 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Carbon nanotubes (CNTs) have been successfully used in biomedicine, including cancer therapy, due to their unique physico-chemical properties. Because pristine CNTs exhibit hydrophobic behaviour, they can have a cytotoxic effect on cells, which limits their practical use in biomedicine. The toxicity of CNTs can be reduced by adding water-soluble functional radicals to their surface, i.e. by increasing their hydrophilicity. Another possibility for increasing the hydrophilicity of CNTs is probably filling them with endohedral metal atoms, which has not yet been studied. Thus, in this study, we use computer simulations to investigate the combined effect of endohedral nickel atoms and functional groups on the hydrophilicity of CNTs. Our simulation results show that the introduction of endohedral nickel atoms into CNTs increases their binding energy with functional groups. We also find that the addition of functional groups to the surface of CNT, along with filling it with endohedral nickel atoms, leads to an increase in the dipole moment of the CNT as well as its interaction energy with water, thereby increasing the hydrophilicity of the CNT and, consequently, its solubility in water. This, in turn, can lead to a decrease in CNT toxicity. |
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Wos |
001059544800001 |
Publication Date |
2023-09-06 |
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Series Editor |
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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 |
0892-7022 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.1; 2023 IF: 1.254 |
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Call Number |
UA @ admin @ c:irua:199261 |
Serial |
9027 |
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Author |
Oliveira, M.C.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Effect of lipid oxidation on the channel properties of Cx26 hemichannels : a molecular dynamics study |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
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Volume |
746 |
Issue |
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Pages |
109741-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Intercellular communication plays a crucial role in cancer, as well as other diseases, such as inflammation, tissue degeneration, and neurological disorders. One of the proteins responsible for this, are connexins (Cxs), which come together to form a hemichannel. When two hemichannels of opposite cells interact with each other, they form a gap junction (GJ) channel, connecting the intracellular space of these cells. They allow the passage of ions, reactive oxygen and nitrogen species (RONS), and signaling molecules from the interior of one cell to another cell, thus playing an essential role in cell growth, differentiation, and homeostasis. The importance of GJs for disease induction and therapy development is becoming more appreciated, especially in the context of oncology. Studies have shown that one of the mechanisms to control the formation and disruption of GJs is mediated by lipid oxidation pathways, but the underlying mechanisms are not well understood. In this study, we performed atomistic molecular dynamics simulations to evaluate how lipid oxidation influences the channel properties of Cx26 hemichannels, such as channel gating and permeability. Our results demonstrate that the Cx26 hemichannel is more compact in the presence of oxidized lipids, decreasing its pore diameter at the extracellular side and increasing it at the amino terminus domains, respectively. The permeability of the Cx26 hemichannel for water and RONS molecules is higher in the presence of oxidized lipids. The latter may facilitate the intracellular accumulation of RONS, possibly increasing oxidative stress in cells. A better understanding of this process will help to enhance the efficacy of oxidative stress-based cancer treatments. |
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Wos |
001079100300001 |
Publication Date |
2023-09-07 |
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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 |
0003-9861; 1096-0384 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 3.165 |
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Call Number |
UA @ admin @ c:irua:200282 |
Serial |
9028 |
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Author |
Watson, G.; Kummamuru, N.B.; Verbruggen, S.W.; Perreault, P.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Van Der Voort, P. |
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Title |
Engineering of hollow periodic mesoporous organosilica nanorods for augmented hydrogen clathrate formation |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
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Volume |
11 |
Issue |
47 |
Pages |
26265-26276 |
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Keywords |
A1 Journal article; Engineering sciences. Technology |
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Abstract |
Hydrogen (H2) storage, in the form of clathrate hydrates, has emerged as an attractive alternative to classical storage methods like compression or liquefaction. Nevertheless, the sluggish enclathration kinetics along with low gas storage capacities in bulk systems is currently impeding the progress of this technology. To this end, unstirred systems coupled with porous materials have been shown to tackle the aforementioned drawbacks. In line with this approach, the present study explores the use of hydrophobic periodic organosilica nanoparticles, later denoted as hollow ring-PMO (HRPMO), for H2 storage as clathrate hydrates under mild operating conditions (5.56 mol% THF, 7 MPa, and 265–273 K). The surface of the HRPMO nanoparticles was carefully decorated/functionalized with THF-like moieties, which are well-known promoter agents in clathrate formation when applied in classical, homogeneous systems. The study showed that, while the non-functionalized HRPMO can facilitate the formation of binary H2-THF clathrates, the incorporation of surface-bound promotor structures enhances this process. More intriguingly, tuning the concentration of these surface-bound promotor agents on the HRPMO led to a notable effect on solid-state H2 storage capacities. An increase of 3% in H2 storage capacity, equivalent to 0.26 wt%, along with a substantial increase of up to 28% in clathrate growth kinetics, was observed when an optimal loading of 0.14 mmol g−1 of promoter agent was integrated into the HRPMO framework. Overall, the findings from this study highlight that such tuning effects in the solid-state have the potential to significantly boost hydrate formation/growth kinetics and H2 storage capacities, thereby opening new avenues for the ongoing development of H2 clathrates in industrial applications. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
001108752600001 |
Publication Date |
2023-11-24 |
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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 |
2050-7488; 2050-7496 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 11.9; 2023 IF: 8.867 |
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Call Number |
UA @ admin @ c:irua:201007 |
Serial |
9031 |
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Author |
Deconinck, E.; Polet, M.A.; Canfyn, M.; Duchateau, C.; De Braekeleer, K.; Van Echelpoel, R.; De Wael, K.; Gremeaux, L.; Degreef, M.; Balcaen, M. |
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Title |
Evaluation of an electrochemical sensor and comparison with spectroscopic approaches as used today in practice for harm reduction in a festival setting: a case study : analysis of 3,4-methylenedioxymethamphetamine samples |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Drug testing and analysis |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-13 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
More and more countries and organisations emphasise the value of harm reduction measures in the context of illicit drug use and abuse. One of these measures is drug checking, a preventive action that can represent a quick win by tailored consultation on the risks of substance use upon analytical screening of a submitted sample. Unlike drop-in centres that operate within a fixed setting, enabling drug checking in a harm reduction context at events requires portable, easy to use analytical approaches, operated by personnel with limited knowledge of analytical chemistry. In this case study, four different approaches were compared for the characterisation of 3,4-methylenedioxymethamphetamine samples and this in the way the approaches would be applied today in an event context. The four approaches are mid-infrared (MIR), near-infrared, and Raman spectroscopy, which are today used in drug checking context in Belgium, as well as an electrochemical sensor approach initially developed in the context of law enforcement at ports. The MIR and the electrochemical approach came out best, with the latter allowing for a direct straightforward analysis of the percentage 3,4-methylenedioxymethamphetamine (as base equivalent) in the samples. However, MIR has the advantage that, in a broader drug checking context, it allows to screen for several molecules and so is able to identify unexpected active components or at least the group to which such components belong. The latter is also an important advantage in the context of the growing emergence of new psychotropic substances. MIR, NIR, Raman spectroscopy, and an electrochemical sensor (Narcoreader (R)) for MDMA analysis were compared in a realistic harm reduction context. NIR and Raman failed in simple library approaches. MIR and Narcoreader (R) were preferred. MIR came out as first choice. MIR and Narcoreader (R) have complementary (dis)advantages and could be used in a two-step approach: MIR for screening and Narcoreader (R) for dosage/risk evaluation of MDMA samples.image |
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Wos |
001122493700001 |
Publication Date |
2023-12-12 |
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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 |
1942-7603; 1942-7611 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.9; 2023 IF: 3.469 |
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Call Number |
UA @ admin @ c:irua:202047 |
Serial |
9032 |
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Author |
Duran, T.A.; Šabani, D.; Milošević, M.V.; Sahin, H. |
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Title |
Experimental and theoretical investigation of synthesis and properties of dodecanethiol-functionalized MoS₂ |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
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Volume |
25 |
Issue |
40 |
Pages |
27141-27150 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Herein, we investigate the DDT (1-dodecanethiol) functionalization of exfoliated MoS2 by using experimental and theoretical tools. For the functionalization of MoS2, DDT treatment was incorporated into the conventional NMP (N-methyl pyrrolidone) exfoliation procedure. Afterward, it has been demonstrated that the functionalization process is successful through optical, morphological and theoretical analysis. The D, G and 2LA peaks seen in the Raman spectrum of exfoliated NMP-MoS2 particles, indicate the formation of graphitic species on MoS2 sheets. In addition, as the DDT ratio increases, the vacant sites on MoS2 sheets diminish. Moreover, at an optimized ratio of DDT-NMP, the maximum number of graphitic quantum dots (GQDs) is observed on MoS2 nanosheets. Specifically, the STEM and AFM data confirm that GQDs reside on the MoS2 nano-sheets and also that the particle size of the DDT-MoS2 is mostly fixed, while the NMP-MoS2 show many smaller and distributed sizes. The comparison of PL intensities of the NMP-MoS2 and DDT-MoS2 samples states a 10-fold increment is visible, and a 60-fold increment in NIR region photoluminescent properties. Moreover, our results lay out understanding and perceptions on the surface and edge chemistry of exfoliated MoS2 and open up more opportunities for MoS2 and GQD particles with broader applications. |
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Wos |
001076998800001 |
Publication Date |
2023-09-29 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.3 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.3; 2023 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:200284 |
Serial |
9033 |
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Author |
Rabani, I.; Tahir, M.S.; Nisar, S.; Parrilla, M.; Truong, H.B.; Kim, M.; Seo, Y.-S. |
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Title |
Fabrication of larger surface area of ZIF8@ZIF67 reverse core-shell nanostructures for energy storage applications |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Electrochimica acta |
Abbreviated Journal |
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Volume |
475 |
Issue |
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Pages |
143532-11 |
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Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
The construction of uniform nanostructure with larger surface area electrodes is a huge challenge for the highvalue added energy storage application. Herein, we demonstrates ZIF67@ZIF8 (core-shell) and ZIF8@ZIF67 (reverse core-shell) nanostructures using a low-cost wet chemical route and used them as supercapacitors. Pristine ZIF-67 and ZIF-8 was used as reference electrodes. Benefiting from the synergistic effect between the ZIF8 and ZIF67, the ZIF8@ZIF67 exhibited the outstanding electrochemical consequences owing to its larger surface area with uniform hexagonal morphology. As optimized ZIF8@ZIF67 nanostructure displayed the highcapacity of 1521 F/g at 1 A/g of current density in a three-electrode assembly in 1 M KOH electrolyte compared with other as-fabricated electrodes. In addition, the ZIF8@ZIF67 nanostructure employed into the symmetric supercapacitors (SSCs) with 1 M KOH electrolyte in two-electrode setup and it exhibited still superior output including capacity (249.8 F/g at 1 A/g), remarkable repeatability (87 % over 10,000 GCD cycles) along with high energy and power density (61.2 Wh/kg & 1260 W/kg). The present study uncovers the relationship between the larger surface area and electrocatalyst performance, supporting an effective approach to prepare favorable materials for enhanced capacity, extended lifespan, and energy density. |
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Wos |
001134022100001 |
Publication Date |
2023-12-01 |
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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 |
0013-4686 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
6.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.6; 2024 IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:202082 |
Serial |
9036 |
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Author |
Rezaei, M.; Ghasemitarei, M.; Razzokov, J.; Yusupov, M.; Ghorbanalilu, M.; Ejtehadi, M.R. |
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Title |
In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
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Volume |
751 |
Issue |
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Pages |
109835-109837 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The overexpression of voltage dependent anion channels (VDACs), particularly VDAC1, in cancer cells compared to normal cells, plays a crucial role in cancer cell metabolism, apoptosis regulation, and energy homeostasis. In this study, we used molecular dynamics (MD) simulations to investigate the effect of a low level of VDAC1 oxidation (induced e.g., by cold atmospheric plasma (CAP)) on the pyruvate (Pyr) uptake by VDAC1. Inhibiting Pyr uptake through VDAC1 can suppress cancer cell proliferation. Our primary target was to study the translocation of Pyr across the native and oxidized forms of hVDAC1, the human VDAC1. Specifically, we employed MD simulations to analyze the hVDAC1 structure by modifying certain cysteine residues to cysteic acids and methionine residues to methionine sulfoxides, which allowed us to investigate the effect of oxidation. Our results showed that the free energy barrier for Pyr translocation through the native and oxidized channel was approximately 4.3 +/- 0.7 kJ mol-1 and 10.8 +/- 1.8 kJ mol-1, respectively. An increase in barrier results in a decrease in rate of Pyr permeation through the oxidized channel. Thus, our results indicate that low levels of CAP oxidation reduce Pyr translocation, resulting in decreased cancer cell proliferation. Therefore, low levels of oxidation are likely sufficient to treat cancer cells given the inhibition of Pyr uptake. |
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Place of Publication |
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Wos |
001127850500001 |
Publication Date |
2023-11-23 |
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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 |
0003-9861; 1096-0384 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.9; 2024 IF: 3.165 |
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Call Number |
UA @ admin @ c:irua:202185 |
Serial |
9046 |
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Author |
Faust, V.; Vlaeminck, S.E.; Ganigué, R.; Udert, K.M. |
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Title |
Influence of pH on urine nitrification : community shifts of ammonia-oxidizing bacteria and inhibition of nitrite-oxidizing bacteria |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
ACS ES&T engineering |
Abbreviated Journal |
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Volume |
4 |
Issue |
2 |
Pages |
342-353 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urine nitrification is pH-sensitive due to limited alkalinity and high residual ammonium concentrations. This study aimed to investigate how the pH affects nitrogen conversion and the microbial community of urine nitrification with a pH-based feeding strategy. First, kinetic parameters for NH3, HNO2, and NO2– limitation and inhibition were determined for nitrifiers from a urine nitrification reactor. The turning point for ammonia-oxidizing bacteria (AOB), i.e., the substrate concentration at which a further increase would lead to a decrease in activity due to inhibitory effects, was at an NH3 concentration of 12 mg-N L–1, which was reached only at pH values above 7. The total nitrite turning point for nitrite-oxidizing bacteria (NOB) was pH-dependent, e.g., 18 mg-N L–1 at pH 6.3. Second, four years of data from two 120 L reactors were analyzed, showing that stable nitrification with low nitrite was most likely between pH 5.8 and 6.7. And third, six 12 L urine nitrification reactors were operated at total nitrogen concentrations of 1300 and 3600 mg-N L–1 and pH values between 2.5 and 8.5. At pH 6, the AOB Nitrosomonas europaea was found, and the NOB belonged to the genus Nitrobacter. At pH 7, nitrite accumulated, and Nitrosomonas halophila was the dominant AOB. NOB were inhibited by HNO2 accumulation. At pH 8.5, the AOB Nitrosomonas stercoris became dominant, and NH3 inhibited NOB. Without influent, the pH dropped to 2.5 due to the growth of the acid-tolerant AOB “Candidatus Nitrosacidococcus urinae”. In conclusion, pH is a decisive process control parameter for urine nitrification by influencing the selection and kinetics of nitrifiers. |
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Wos |
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Publication Date |
2023-11-02 |
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Abbreviated Series Title |
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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 |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203306 |
Serial |
9048 |
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| Permanent link to this record |
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Author |
Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K. |
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Title |
Interface thermal conductivities induced by van der Waals interactions |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
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| |
Volume |
26 |
Issue |
5 |
Pages |
4047-4051 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The interface heat transfer of two layers induced by van der Waals (vdW) contacts is theoretically investigated, based on first-principles calculations at low temperatures. The results suggest that out-of-plane acoustic phonons with low frequencies dominate the interface thermal transport due to the vdW interaction. The interface thermal conductivity is proportional to the cubic of temperature at very low temperatures, but becomes linearly proportional to temperature as temperature increases. We show that manipulating the strain alters vdW coupling, leading to increased interfacial thermal conductivity at the interface. Our findings provide valuable insights into the interface heat transport in vdW heterostructures and support further design and optimization of electronic and optoelectronic nanodevices based on vdW contacts. The heat transfer induced by van der Waals contacts is dominated by ZA phonons. The interface thermal conductivity is proportional to the cubic of temperature, but becomes linearly proportional to temperature as temperature increases. |
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Place of Publication |
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Language |
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Wos |
001142323400001 |
Publication Date |
2024-01-09 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.3 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3; 2024 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:202795 |
Serial |
9050 |
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| Permanent link to this record |
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Author |
Smith, G.J.; Diomede, P.; Gibson, A.R.; Doyle, S.J.; Guerra, V.; Kushner, M.J.; Gans, T.; Dedrick, J.P. |
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Title |
Low-pressure inductively coupled plasmas in hydrogen : impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Plasma sources science and technology |
Abbreviated Journal |
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| |
Volume |
33 |
Issue |
2 |
Pages |
025002-25020 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10-20 Pa or 0.075-0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources. |
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Place of Publication |
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Editor |
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Language |
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Wos |
001154851700001 |
Publication Date |
2024-01-15 |
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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 |
0963-0252 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.8 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.8; 2024 IF: 3.302 |
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Call Number |
UA @ admin @ c:irua:203866 |
Serial |
9054 |
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| Permanent link to this record |
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Author |
Salden, A.; Budde, M.; Garcia-Soto, C.A.; Biondo, O.; Barauna, J.; Faedda, M.; Musig, B.; Fromentin, C.; Nguyen-Quang, M.; Philpott, H.; Hasrack, G.; Aceto, D.; Cai, Y.; Jury, F.A.; Bogaerts, A.; Da Costa, P.; Engeln, R.; Galvez, M.E.; Gans, T.; Garcia, T.; Guerra, V.; Henriques, C.; Motak, M.; Navarro, M.V.; Parvulescu, V.I.; Van Rooij, G.; Samojeden, B.; Sobota, A.; Tosi, P.; Tu, X.; Guaitella, O. |
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Title |
Meta-analysis of CO₂ conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of energy chemistry |
Abbreviated Journal |
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| |
Volume |
86 |
Issue |
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Pages |
318-342 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/). |
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Wos |
001083545900001 |
Publication Date |
2023-08-10 |
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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 |
2095-4956 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 13.1; 2023 IF: 2.594 |
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Call Number |
UA @ admin @ c:irua:200416 |
Serial |
9056 |
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| Permanent link to this record |
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Author |
Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. |
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Title |
Modeling symmetric and defect-free carbon schwarzites into various zeolite templates |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Carbon |
Abbreviated Journal |
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Volume |
215 |
Issue |
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Pages |
118385-118389 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures. |
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Place of Publication |
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Editor |
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Language |
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Wos |
001078649800001 |
Publication Date |
2023-09-04 |
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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 |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
10.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 10.9; 2023 IF: 6.337 |
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Call Number |
UA @ admin @ c:irua:200314 |
Serial |
9057 |
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| Permanent link to this record |
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Author |
Kumar, M.; Sengupta, A.; Kummamuru, N.B. |
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Title |
Molecular simulations for carbon dioxide capture in silica slit pores |
Type |
A3 Journal article |
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Year |
2023 |
Publication |
Materials Today: Proceedings |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-9 |
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Keywords |
A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement. |
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Wos |
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Publication Date |
2023-05-06 |
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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 |
2214-7853 |
ISBN |
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Additional Links |
UA library record |
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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 |
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Call Number |
UA @ admin @ c:irua:200944 |
Serial |
9058 |
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Author |
Koirala, B.; Rasti, B.; Bnoulkacem, Z.; de Lima Ribeiro, A.; Madriz, Y.; Herrmann, E.; Gestels, A.; De Kerf, T.; Lorenz, S.; Fuchs, M.; Janssens, K.; Steenackers, G.; Gloaguen, R.; Scheunders, P. |
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Title |
A multisensor hyperspectral benchmark dataset for unmixing of intimate mixtures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
IEEE sensors journal |
Abbreviated Journal |
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Volume |
24 |
Issue |
4 |
Pages |
4694-4710 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Optical hyperspectral cameras capture the spectral reflectance of materials. Since many materials behave as heterogeneous intimate mixtures with which each photon interacts differently, the relationship between spectral reflectance and material composition is very complex. Quantitative validation of spectral unmixing algorithms requires high-quality ground truth fractional abundance data, which are very difficult to obtain. In this work, we generated a comprehensive laboratory ground truth dataset of intimately mixed mineral powders. For this, five clay powders (Kaolin, Roof clay, Red clay, mixed clay, and Calcium hydroxide) were mixed homogeneously to prepare 325 samples of 60 binary, 150 ternary, 100 quaternary, and 15 quinary mixtures. Thirteen different hyperspectral sensors have been used to acquire the reflectance spectra of these mixtures in the visible, near, short, mid, and long-wavelength infrared regions (350-15385) nm. Overlaps in wavelength regions due to the operational ranges of each sensor and variations in acquisition conditions resulted in a large amount of spectral variability. Ground truth composition is given by construction, but to verify that the generated samples are sufficiently homogeneous, XRD and XRF elemental analysis is performed. We believe these data will be beneficial for validating advanced methods for nonlinear unmixing and material composition estimation, including studying spectral variability and training supervised unmixing approaches. The datasets can be downloaded from the following link: https://github.com/VisionlabHyperspectral/Multisensor_datasets. |
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Place of Publication |
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Wos |
001173599400063 |
Publication Date |
2023-12-28 |
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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 |
1530-437x; 1558-1748 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.3 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.3; 2024 IF: 2.512 |
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Call Number |
UA @ admin @ c:irua:203094 |
Serial |
9059 |
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Author |
Zhang, L.; Quinn, B.K.; Hui, C.; Lian, M.; Gielis, J.; Gao, J.; Shi, P. |
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Title |
New indices to balance α-diversity against tree size inequality |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Journal of forestry research |
Abbreviated Journal |
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Volume |
35 |
Issue |
1 |
Pages |
31-39 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The number and composition of species in a community can be quantified with alpha-diversity indices, including species richness (R), Simpson's index (D), and the Shannon-Wiener index (HGREEK TONOS). In forest communities, there are large variations in tree size among species and individuals of the same species, which result in differences in ecological processes and ecosystem functions. However, tree size inequality (TSI) has been largely neglected in studies using the available diversity indices. The TSI in the diameter at breast height (DBH) data for each of 999 20 m x 20 m forest census quadrats was quantified using the Gini index (GI), a measure of the inequality of size distribution. The generalized performance equation was used to describe the rotated and right-shifted Lorenz curve of the cumulative proportion of DBH and the cumulative proportion of number of trees per quadrat. We also examined the relationships of alpha-diversity indices with the GI using correlation tests. The generalized performance equation effectively described the rotated and right-shifted Lorenz curve of DBH distributions, with most root-mean-square errors (990 out of 999 quadrats) being < 0.0030. There were significant positive correlations between each of three alpha-diversity indices (i.e., R, D, and H') and the GI. Nevertheless, the total abundance of trees in each quadrat did not significantly influence the GI. This means that the TSI increased with increasing species diversity. Thus, two new indices are proposed that can balance alpha-diversity against the extent of TSI in the community: (1 – GI) x D, and (1 – GI) x H'. These new indices were significantly correlated with the original D and HGREEK TONOS, and did not increase the extent of variation within each group of indices. This study presents a useful tool for quantifying both species diversity and the variation in tree sizes in forest communities, especially in the face of cumulative species loss under global climate change. |
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Publisher |
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Place of Publication |
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Language |
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Wos |
001131698000001 |
Publication Date |
2023-12-28 |
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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 |
1007-662x; 1993-0607 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3; 2024 IF: 0.774 |
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Call Number |
UA @ admin @ c:irua:201972 |
Serial |
9061 |
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| Permanent link to this record |
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Author |
Voordeckers, D.; Lauriks, T.; Baetens, D.; Ysebaert, T.; Denys, S.; Billen, P.; Tytgat, T.; Van Acker, M. |
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Title |
Numerical study on the impact of traffic lane adjustments and low boundary walls on pedestrian exposure to NO2 in street canyons |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Landscape and urban planning |
Abbreviated Journal |
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Volume |
243 |
Issue |
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Pages |
104974-13 |
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Keywords |
A1 Journal article; Economics; Law; Engineering sciences. Technology; Art; Sustainable Energy, Air and Water Technology (DuEL); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS); Research Group for Urban Development; Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Mitigating the adverse effects of air pollution, especially on human health, is one of the greater contemporary challenges for cities. Street canyons have herein been identified as bottleneck areas in urbanized environments. Focusing on the necessity of fast-response interventions, strategies to control source-receptor pathways (e.g. implementing low boundary walls (LBWs)) are gaining interest. A potential strategy which is greatly overlooked is the adjustment (reduction or displacement) of traffic lanes in order to increase the distance between source (traffic) and recipient (pedestrians). Within our study, computation fluid dynamics (CFD) is used to simulate the impact of alternations to traffic lanes (whether or not combined with LBWs) on the pedestrian exposure to NO2 for a specific case-study (Belgie center dot lei, Antwerp) under two prevailing wind directions. The average differences in NO2 concentrations for the entire pedestrian area ranged between +1.0 % to-3.6 %. On specific locations, reduction up to-8.0 % were reached. In case of perpendicular winds, a lateral displacement of all traffic lanes towards the windward facade including LBWs was found most beneficial to reduce pedestrian exposure. LBWs also showed to be efficient in reducing potential adverse effects of lane displacement under less frequent wind directions. |
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Place of Publication |
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Wos |
001134403700001 |
Publication Date |
2023-12-06 |
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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 |
0169-2046 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
9.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.1; 2023 IF: 4.563 |
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Call Number |
UA @ admin @ c:irua:201400 |
Serial |
9065 |
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| Permanent link to this record |
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Author |
Linek, J.; Wyszynski, M.; Müller, B.; Korinski, D.; Milošević, M.V.; Kleiner, R.; Koelle, D. |
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Title |
On the coupling of magnetic moments to superconducting quantum interference devices |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Superconductor science and technology |
Abbreviated Journal |
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Volume |
37 |
Issue |
2 |
Pages |
025010-25012 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We investigate the coupling factor phi( mu) that quantifies the magnetic flux phi per magnetic moment mu of a point-like magnetic dipole that couples to a superconducting quantum interference device (SQUID). Representing the dipole by a tiny current-carrying (Amperian) loop, the reciprocity of mutual inductances of SQUID and Amperian loop provides an elegant way of calculating phi(mu)(r,e(mu)) vs. position r and orientation e(mu) of the dipole anywhere in space from the magnetic field B-J(r) produced by a supercurrent circulating in the SQUID loop. We use numerical simulations based on London and Ginzburg-Landau theory to calculate phi (mu) from the supercurrent density distributions in various superconducting loop geometries. We treat the far-field regime ( r greater than or similar to a= inner size of the SQUID loop) with the dipole placed on (oriented along) the symmetry axis of circular or square shaped loops. We compare expressions for phi (mu) from simple filamentary loop models with simulation results for loops with finite width w (outer size A > alpha), thickness d and London penetration depth lambda(L )and show that for thin ( d << alpha ) and narrow (w < alpha) loops the introduction of an effective loop size a(eff) in the filamentary loop-model expressions results in good agreement with simulations. For a dipole placed right in the center of the loop, simulations provide an expression phi(mu)(a,A,d,lambda(L)) that covers a wide parameter range. In the near-field regime (dipole centered at small distance z above one SQUID arm) only coupling to a single strip representing the SQUID arm has to be considered. For this case, we compare simulations with an analytical expression derived for a homogeneous current density distribution, which yields excellent agreement for lambda(L)>w,d . Moreover, we analyze the improvement of phi(mu) provided by the introduction of a narrow constriction in the SQUID arm below the magnetic dipole. |
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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 |
001145725500001 |
Publication Date |
2024-01-04 |
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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 |
0953-2048 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.6 |
Times cited |
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Open Access |
Not_Open_Access |
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| |
Notes |
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Approved |
Most recent IF: 3.6; 2024 IF: 2.878 |
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| |
Call Number |
UA @ admin @ c:irua:202759 |
Serial |
9067 |
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| Permanent link to this record |
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Author |
Kashiwar, A.; Arseenko, M.; Simar, A.; Idrissi, H. |
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Title |
On the role of microstructural defects on precipitation, damage, and healing behavior in a novel Al-0.5Mg2Si alloy |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Materials & design |
Abbreviated Journal |
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| |
Volume |
239 |
Issue |
|
Pages |
112765-112769 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A recently developed healable Al-Mg2Si designed by the programmed damage and repair (PDR) strategy is studied considering the role microstructural defects play on precipitation, damage, and healing. The alloy incorporates sacrificial Mg2Si particles that precipitate after friction stir processing (FSP). They act as damage localization sites and are healable based on the solid-state diffusion of Al-matrix. A combination of different transmission electron microscopy (TEM) imaging techniques enabled the visualization and quantification of various crystallographic defects and the spatial distribution of Mg2Si precipitates. Intragrain nucleation is found to be the dominant mechanism for precipitation during FSP whereas grain boundaries and subgrain boundaries mainly lead to coarsening of the precipitates. The statistical and spatial analyses of the damaged particles have shown particle fracture as the dominant damage mechanism which is strongly dependent on the size and aspect ratio of the particles whereas the damage was not found to depend on the location of the precipitates within the matrix. The damaged particles are associated with dislocations accumulated around them. The interplay of these dislocations is directly visualized during healing based on in situ TEM heating which revealed recovery in the matrix as an operative mechanism during the diffusion healing of the PDR alloy. |
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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 |
001194110200001 |
Publication Date |
2024-02-17 |
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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 |
0264-1275; 1873-4197 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
8.4 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 8.4; 2024 IF: 4.364 |
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| |
Call Number |
UA @ admin @ c:irua:203298 |
Serial |
9068 |
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| Permanent link to this record |
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Author |
Zhang, C.; Ren, K.; Wang, S.; Luo, Y.; Tang, W.; Sun, M. |
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Title |
Recent progress on two-dimensional van der Waals heterostructures for photocatalytic water splitting : a selective review |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
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| |
Volume |
56 |
Issue |
48 |
Pages |
483001-483024 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Hydrogen production through photocatalytic water splitting is being developed swiftly to address the ongoing energy crisis. Over the past decade, with the rise of graphene and other two-dimensional (2D) materials, an increasing number of computational and experimental studies have focused on relevant van der Waals (vdW) semiconductor heterostructures for photocatalytic water splitting. In this review, the fundamental mechanism and distinctive performance of type-II and Z-scheme vdW heterostructure photocatalysts are presented. Accordingly, we have conducted a systematic review of recent studies focusing on candidates for photocatalysts, specifically vdW heterostructures involving 2D transition metal disulfides (TMDs), 2D Janus TMDs, and phosphorenes. The photocatalytic performance of these heterostructures and their suitability in theoretical scenarios are discussed based on their electronic and optoelectronic properties, particularly in terms of band structures, photoexcited carrier dynamics, and light absorption. In addition, various approaches for tuning the performance of these potential photocatalysts are illustrated. This strategic framework for constructing and modulating 2D heterostructure photocatalysts is expected to provide inspiration for addressing possible challenges in future studies. |
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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 |
001076327300001 |
Publication Date |
2023-08-30 |
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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 |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3.4; 2023 IF: 2.588 |
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Call Number |
UA @ admin @ c:irua:200353 |
Serial |
9081 |
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| Permanent link to this record |
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Author |
Derks, K.; Youchaeva, M.; Van der Snickt, G.; Van der Stighelen, K.; Janssens, K. |
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Title |
Reconstructing Sweerts : practical insights into the historical dark halo technique based on paint reconstructions |
Type |
P1 Proceeding |
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Year |
2024 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
259-271
T2 - Alla maniera : technical art history |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
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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 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
978-90-429-5216-4 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203062 |
Serial |
9082 |
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| Permanent link to this record |
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Author |
Van Tendeloo, M.; Baptista, M.C.; Van Winckel, T.; Vlaeminck, S.E. |
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Title |
Recurrent multi-stressor floc treatments with sulphide and free ammonia enabled mainstream partial nitritation/anammox |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
The science of the total environment |
Abbreviated Journal |
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| |
Volume |
912 |
Issue |
|
Pages |
169449-12 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Selective suppression of nitrite-oxidising bacteria (NOB) over aerobic and anoxic ammonium-oxidising bacteria (AerAOB and AnAOB) remains a major challenge for mainstream partial nitritation/anammox implementation, a resource-efficient nitrogen removal pathway. A unique multi-stressor floc treatment was therefore designed and validated for the first time under lab-scale conditions while staying true to full-scale design principles. Two hybrid (suspended + biofilm growth) reactors were operated continuously at 20.2 ± 0.6 °C. Recurrent multi-stressor floc treatments were applied, consisting of a sulphide-spiked deoxygenated starvation followed by a free ammonia shock. A good microbial activity balance with high AnAOB (71 ± 21 mg N L−1 d−1) and low NOB (4 ± 17 % of AerAOB) activity was achieved by combining multiple operational strategies: recurrent multi-stressor floc treatments, hybrid sludge (flocs & biofilm), short floc age control, intermittent aeration, and residual ammonium control. The multi-stressor treatment was shown to be the most important control tool and should be continuously applied to maintain this balance. Excessive NOB growth on the biofilm was avoided despite only treating the flocs to safeguard the AnAOB activity on the biofilm. Additionally, no signs of NOB adaptation were observed over 142 days. Elevated effluent ammonium concentrations (25 ± 6 mg N L−1) limited the TN removal efficiency to 39 ± 9 %, complicating a future full-scale implementation. Operating at higher sludge concentrations or reducing the volumetric loading rate could overcome this issue. The obtained results ease the implementation of mainstream PN/A by providing and additional control tool to steer the microbial activity with the multi-stressor treatment, thus advancing the concept of energy neutrality in sewage treatment plants. |
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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 |
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Publication Date |
2023-12-18 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0048-9697; 1879-1026 |
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
9.8 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 9.8; 2024 IF: 4.9 |
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| |
Call Number |
UA @ admin @ c:irua:202286 |
Serial |
9083 |
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| Permanent link to this record |
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Author |
Santos-Castro, G.; Pandey, T.; Bruno, C.H.V.; Santos Caetano, E.W.; Milošević, M.V.; Chaves, A.; Freire, V.N. |
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Title |
Silicon and germanium adamantane and diamantane monolayers as two-dimensional anisotropic direct-gap semiconductors |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
108 |
Issue |
3 |
Pages |
035302-35310 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Structural and electronic properties of silicon and germanium monolayers with two different diamondoid crystal structures are detailed ab initio. Our results show that, despite Si and Ge being well-known indirect gap semiconductors in their bulk form, their adamantane and diamantane monolayers can exhibit optically active direct gap in the visible frequency range, with highly anisotropic effective masses, depending on the monolayer crystal structure. Moreover, we reveal that gaps in these materials are highly tunable with applied strain. These stable monolayer forms of Si and Ge are therefore expected to help bridging the gap between the fast growing area of opto-electronics in two-dimensional materials and the established silicon-based technologies. |
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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 |
001074455300012 |
Publication Date |
2023-07-05 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2023 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:200348 |
Serial |
9089 |
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| Permanent link to this record |
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Author |
Le Compte, M.; Cardenas De La Hoz, E.; Peeters, S.; Rodrigues Fortes, F.; Hermans, C.; Domen, A.; Smits, E.; Lardon, F.; Vandamme, T.; Lin, A.; Vanlanduit, S.; Roeyen, G.; van Laere, S.; Prenen, H.; Peeters, M.; Deben, C. |
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Title |
Single-organoid analysis reveals clinically relevant treatment-resistant and invasive subclones in pancreatic cancer |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
npj Precision Oncology |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
128-14 |
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Keywords |
A1 Journal article; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC) |
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Abstract |
Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal diseases, characterized by a treatment-resistant and invasive nature. In line with these inherent aggressive characteristics, only a subset of patients shows a clinical response to the standard of care therapies, thereby highlighting the need for a more personalized treatment approach. In this study, we comprehensively unraveled the intra-patient response heterogeneity and intrinsic aggressive nature of PDAC on bulk and single-organoid resolution. We leveraged a fully characterized PDAC organoid panel ( N = 8) and matched our artificial intelligence-driven, live-cell organoid image analysis with retrospective clinical patient response. In line with the clinical outcomes, we identified patient-specific sensitivities to the standard of care therapies (gemcitabine-paclitaxel and FOLFIRINOX) using a growth rate-based and normalized drug response metric. Moreover, the single-organoid analysis was able to detect resistant as well as invasive PDAC organoid clones, which was orchestrates on a patient, therapy, drug, concentration and time-specific level. Furthermore, our in vitro organoid analysis indicated a correlation with the matched patient progression-free survival (PFS) compared to the current, conventional drug response readouts. This work not only provides valuable insights on the response complexity in PDAC, but it also highlights the potential applications (extendable to other tumor types) and clinical translatability of our approach in drug discovery and the emerging era of personalized medicine. |
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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 |
001118015800001 |
Publication Date |
2023-12-08 |
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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 |
2397-768x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201455 |
Serial |
9091 |
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| Permanent link to this record |
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Author |
Daems, E.; Bassini, S.; Mariën, L.; Op de Beeck, H.; Stratulat, A.; Zwaenepoel, K.; Vandamme, T.; op de Beeck, K.; Koljenovic, S.; Peeters, M.; Van Camp, G.; De Wael, K. |
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Title |
Singlet oxygen-based photoelectrochemical detection of single-point mutations in the KRAS oncogene |
Type |
University Hospital Antwerp |
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Year |
2023 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
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Volume |
249 |
Issue |
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Pages |
115957-7 |
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Keywords |
University Hospital Antwerp; A1 Journal article; Center for Oncological Research (CORE); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Medical Genetics (MEDGEN) |
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Abstract |
Single nucleotide point mutations in the KRAS oncogene occur frequently in human cancers, rendering them intriguing targets for diagnosis, early detection and personalized treatment. Current detection methods are based on polymerase chain reaction, sometimes combined with next-generation sequencing, which can be expensive, complex and have limited availability. Here, we propose a novel singlet oxygen (1O2)-based photoelectrochemical detection methodology for single-point mutations, using KRAS mutations as a case study. This detection method combines the use of a sandwich assay, magnetic beads and robust chemical photosensitizers, that need only air and light to produce 1O2, to ensure high specificity and sensitivity. We demonstrate that hybridization of the sandwich hybrid at high temperatures enables discrimination between mutated and wild-type sequences with a detection rate of up to 93.9%. Additionally, the presence of background DNA sequences derived from human cell-line DNA, not containing the mutation of interest, did not result in a signal, highlighting the specificity of the methodology. A limit of detection as low as 112 pM (1.25 ng/mL) was achieved without employing any amplification techniques. The developed 1O2-based photoelectrochemical methodology exhibits unique features, including rapidity, ease of use, and affordability, highlighting its immense potential in the field of nucleic acid-based diagnostics. |
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Address |
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Corporate Author |
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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 |
001155075300001 |
Publication Date |
2023-12-23 |
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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 |
0956-5663 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
12.6 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 12.6; 2023 IF: 7.78 |
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Call Number |
UA @ admin @ c:irua:201875 |
Serial |
9092 |
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| Permanent link to this record |
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Author |
Ulu Okudur, F.; Batuk, M.; Hadermann, J.; Safari, M.; De Sloovere, D.; Kumar Mylavarapu, S.; Joos, B.; D'Haen, J.; Van Bael, M.K.; Hardy, A. |
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Title |
Solution-gel-based surface modification of LiNi0.5Mn1.5O4-δ with amorphous Li-Ti-O coating |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
RSC advances |
Abbreviated Journal |
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Volume |
13 |
Issue |
47 |
Pages |
33146-33158 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
LNMO (LiNi0.5Mn1.5O4-delta) is a high-energy density positive electrode material for lithium ion batteries. Unfortunately, it suffers from capacity loss and impedance rise during cycling due to electrolyte oxidation and electrode/electrolyte interface instabilities at high operating voltages. Here, a solution-gel synthesis route was used to coat 0.5-2.5 mu m LNMO particles with amorphous Li-Ti-O (LTO) for improved Li conduction, surface structural stability and cyclability. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) analysis coupled with energy dispersive X-ray (EDX) showed Ti-rich amorphous coatings/islands or Ti-rich spinel layers on many of the LTO-modified LNMO facets, with a thickness varying from about 1 to 10 nm. The surface modification in the form of amorphous islands was mostly possible on high-energy crystal facets. Physicochemical observations were used to propose a molecular mechanism for the surface modification, combining insights from metalorganic chemistry with the crystallographic properties of LNMO. The improvements in functional properties were investigated in half cells. The cell impedance increased faster for the bare LNMO compared to amorphous LTO modified LNMO, resulting in R-ct values as high as 1247 Omega (after 1000 cycles) for bare LNMO, against 216 Omega for the modified material. At 10C, the modified material boosted a 15% increase in average discharge capacity. The improvements in electrochemical performance were attributed to the increase in electrochemically active surface area, as well as to improved HF-scavenging, resulting in the formation of protective byproducts, generating a more stable interface during prolonged cycling. |
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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 |
001102666700001 |
Publication Date |
2023-11-09 |
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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 |
2046-2069 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
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Notes |
|
Approved |
Most recent IF: 3.9; 2023 IF: 3.108 |
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Call Number |
UA @ admin @ c:irua:202091 |
Serial |
9096 |
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| Permanent link to this record |
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Author |
Zamani, M.; Yapicioglu, H.; Kara, A.; Sevik, C. |
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Title |
Statistical analysis of porcelain tiles' technical properties : full factorial design investigation on oxide ratios and temperature |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Physica scripta |
Abbreviated Journal |
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Volume |
98 |
Issue |
12 |
Pages |
125953-18 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
This study focuses on optimizing the composition and firing temperature of porcelain tiles using statistical analysis techniques. A full factorial design, including model adequacy checking, analysis of variance, Pareto charts, interaction plots, regression model, and response optimizer is employed. The key factors were the Seger ratios of SiO2/Al2O3, Na2O/K2O, MgO/CaO, and firing temperature. The response variables investigated were bulk density, water absorption, linear shrinkage, coefficient of thermal expansion (at 500 degrees C), and strength. The statistical analysis revealed highly significant results, which were further validated, confirming their reliability for practical use in the production of porcelain tiles. The study demonstrated the effectiveness of utilizing Seger formulas and properties of typical raw materials to accurately predict the final properties of ceramic tiles. By employing SiO2/Al2O3 = 5.2, Na2O/K2O = 1.50, MgO/CaO = 3.0, and firing temperature of 1180 degrees C, optimized properties, such as maximum strength, maximum bulk density, and minimum water absorption, was achieved with a composite desirability of 0.9821. |
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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 |
001105879800001 |
Publication Date |
2023-11-08 |
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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 |
0031-8949; 1402-4896 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.9; 2023 IF: 1.28 |
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Call Number |
UA @ admin @ c:irua:202033 |
Serial |
9097 |
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Author |
Menegaldo, B.; Aleccia, D.; Nuyts, G.; Amato, A.; Orsega, E.F.; Moro, G.; Balliana, E.; De Wael, K.; Moretto, L.M.; Beltran, V. |
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Title |
Stories of the life of Saint George : materials and techniques from a Barbelli mural painting |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Studies in conservation |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-14 |
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Keywords |
A1 Journal article; Art; History; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Gian Giacomo Inchiocchio (1604-1656), better known as Barbelli, was one of the main exponents of Lombard painting of the seventeenth century. A large body of work is attributed to him, encompassing a wide range of drawings, murals, and oil paintings. However, despite his broad production, there are still many open questions regarding his painting techniques and materials. In this paper, a multi-analytical study of the cycle Stories of the life of Saint George that originally decorated the presbytery of the parish church of Casaletto Vaprio (Cremona, Italy) was performed, combining non-invasive techniques with the characterisation of selected micro samples. Results show that Barbelli used a very limited number of inorganic pigments, often mixing them together to create different colours and shades. Remains of caseinate and degradation products (i.e. weddellite and whewellite) related to the strappo intervention were also highlighted. The study helped to decipher the materials and technique of this painting, providing data that can be used as a reference to study his extensive production. |
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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 |
001080139100001 |
Publication Date |
2023-10-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0039-3630; 2047-0584 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
0.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 0.8; 2023 IF: 0.578 |
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Call Number |
UA @ admin @ c:irua:200302 |
Serial |
9098 |
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| Permanent link to this record |
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Author |
Tran, T.T.; Lee, Y.; Roy, S.; Tran, T.U.; Kim, Y.; Taniguchi, T.; Watanabe, K.; Milošević, M.V.; Lim, S.C.; Chaves, A.; Jang, J.I.; Kim, J. |
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Title |
Synergetic enhancement of quantum yield and exciton lifetime of monolayer WS₂ by proximal metal plate and negative electric bias |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS nano |
Abbreviated Journal |
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Volume |
18 |
Issue |
1 |
Pages |
220-228 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The efficiency of light emission is a critical performance factor for monolayer transition metal dichalcogenides (1L-TMDs) for photonic applications. While various methods have been studied to compensate for lattice defects to improve the quantum yield (QY) of 1L-TMDs, exciton-exciton annihilation (EEA) is still a major nonradiative decay channel for excitons at high exciton densities. Here, we demonstrate that the combined use of a proximal Au plate and a negative electric gate bias (NEGB) for 1L-WS2 provides a dramatic enhancement of the exciton lifetime at high exciton densities with the corresponding QY enhanced by 30 times and the EEA rate constant decreased by 80 times. The suppression of EEA by NEGB is attributed to the reduction of the defect-assisted EEA process, which we also explain with our theoretical model. Our results provide a synergetic solution to cope with EEA to realize high-intensity 2D light emitters using TMDs. |
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Corporate Author |
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Place of Publication |
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Wos |
001139516800001 |
Publication Date |
2023-12-21 |
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Series Editor |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
17.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 17.1; 2023 IF: 13.942 |
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Call Number |
UA @ admin @ c:irua:202811 |
Serial |
9101 |
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| Permanent link to this record |
