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

 
Author Ma, X.; Pavlidis, G.; Dillon, E.; Beltran, V.; Schwartz, J.J.; Thoury, M.; Borondics, F.; Sandt, C.; Kjoller, K.; Berrie, B.H.; Centrone, A.
  Title Micro to nano : multiscale IR analyses reveal zinc soap heterogeneity in a 19th-century painting by Corot Type A1 Journal article
  Year 2022 Publication Analytical chemistry Abbreviated Journal
  Volume 94 Issue 7 Pages 3103-3110
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Formation and aggregation of metal carboxylates (metal soaps) can degrade the appearance and integrity of oil paints, challenging efforts to conserve painted works of art. Endeavors to understand the root cause of metal soap formation have been hampered by the limited spatial resolution of Fourier transform infrared microscopy (mu-FTIR). We overcome this limitation using optical photothermal infrared spectroscopy (O-PTIR) and photothermal-induced resonance (PTIR), two novel methods that provide IR spectra with approximate to 500 and approximate to 10 nm spatial resolutions, respectively. The distribution of chemical phases in thin sections from the top layer of a 19th-century painting is investigated at multiple scales (mu-FTIR approximate to 10(2) mu m(3), O-PTIR approximate to 10(-1) mu m(3), PTIR approximate to 10(-5) mu m(3)). The paint samples analyzed here are found to be mixtures of pigments (cobalt green, lead white), cured oil, and a rich array of intermixed, small (often << 0.1 mu m(3)) zinc soap domains. We identify Zn stearate and Zn oleate crystalline soaps with characteristic narrow IR peaks (approximate to 1530-1558 cm(-1)) and a heterogeneous, disordered, water-permeable, tetrahedral zinc soap phase, with a characteristic broad peak centered at approximate to 1596 cm(-1). We show that the high signal-to-noise ratio and spatial resolution afforded by O-PTIR are ideal for identifying phase-separated (or locally concentrated) species with low average concentration, while PTIR provides an unprecedented nanoscale view of distributions and associations of species in paint. This newly accessible nanocompositional information will advance our knowledge of chemical processes in oil paint and will stimulate new art conservation practices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000766206700011 Publication Date 2022-02-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:187380 Serial 8897
Permanent link to this record
 

 
Author Faust, V.; Boon, N.; Ganigué, R.; Vlaeminck, S.E.; Udert, K.M.
  Title Optimizing control strategies for urine nitrification : narrow pH control band enhances process stability and reduces nitrous oxide emissions Type A1 Journal article
  Year 2023 Publication Frontiers in environmental science Abbreviated Journal
  Volume 11 Issue Pages 1275152-14
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Nitrification is well-suited for urine stabilization. No base dosage is required if the pH is controlled within an appropriate operating range by urine feeding, producing an ammonium-nitrate fertilizer. However, the process is highly dependent on the selected pH set-points and is susceptible to process failures such as nitrite accumulation or the growth of acid-tolerant ammonia-oxidizing bacteria. To address the need for a robust and reliable process in decentralized applications, two different strategies were tested: operating a two-position pH controller (inflow on/off) with a narrow pH control band at 6.20/6.25 (∆pH = 0.05, narrow-pH) vs. a wider pH control band at 6.00/6.50 (∆pH = 0.50, wide-pH). These variations in pH also cause variations in the chemical speciation of ammonia and nitrite and, as shown, the microbial production of nitrite. It was hypothesized that the higher fluctuations would result in greater microbial diversity and, thus, a more robust process. The diversity of nitrifiers was higher in the wide-pH reactor, while the diversity of the entire microbiome was similar in both systems. However, the wide-pH reactor was more susceptible to tested process disturbances caused by increasing pH or temperature, decreasing dissolved oxygen, or an influent stop. In addition, with an emission factor of 0.47%, the nitrous oxide (N2O) emissions from the wide-pH reactor were twice as high as the N2O emissions from the narrow-pH reactor, most likely due to the nitrite fluctuations. Based on these results, a narrow control band is recommended for pH control in urine nitrification.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001087861500001 Publication Date 2023-10-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2296-665x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:199585 Serial 8909
Permanent link to this record
 

 
Author Schram, J.; Parrilla, M.; Slosse, A.; Van Durme, F.; Åberg, J.; Björk, K.; Bijvoets, S.M.; Sap, S.; Heerschop, M.W.J.; De Wael, K.
  Title Paraformaldehyde-coated electrochemical sensor for improved on-site detection of amphetamine in street samples Type A1 Journal article
  Year 2022 Publication Microchemical journal Abbreviated Journal
  Volume 179 Issue Pages 107518-107519
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract The increasing illicit production, distribution and abuse of amphetamine (AMP) poses a challenge for law enforcement worldwide. To effectively combat this issue, fast and portable tools for the on-site screening of suspicious samples are required. Electrochemical profile (EP)-based sensing of illicit drugs has proven to be a viable option for this purpose as it allows rapid voltammetric measurements via the use of disposable and low-cost graphite screen-printed electrodes (SPEs). In this work, a highly practical paraformaldehyde (PFA)-coated sensor, which unlocks the detectability of primary amines through derivatization, is developed for the on-site detection of AMP in seized drug samples. A potential interval was defined at the sole AMP peak (which is used for identification of the target analyte) to account for potential shifts due to fluctuations in concentration and temperature, which are relevant factors for on-site use. Importantly, it was found that AMP detection was not hindered by the presence of common diluents and adulterants such as caffeine, even when present in high amounts. When inter-drug differentiation is desired, a simultaneous second test with the same solution on an unmodified electrode is introduced to provide the required additional electrochemical information. Finally, the concept was validated by analyzing 30 seized AMP samples (reaching a sensitivity of 96.7 %) and comparing its performance to that of commercially available Raman and Fourier Transform Infrared (FTIR) devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000809675500010 Publication Date 2022-04-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:188454 Serial 8910
Permanent link to this record
 

 
Author De Micco, V.; Amitrano, C.; Mastroleo, F.; Aronne, G.; Battistelli, A.; Carnero-Diaz, E.; De Pascale, S.; Detrell, G.; Dussap, C.-G.; Ganigué, R.; Jakobsen, Ø.M.; Poulet, L.; Van Houdt, R.; Verseux, C.; Vlaeminck, S.E.; Willaert, R.; Leys, N.
  Title Plant and microbial science and technology as cornerstones to Bioregenerative Life Support Systems in space Type A1 Journal article
  Year 2023 Publication NPJ microgravity Abbreviated Journal
  Volume 9 Issue 1 Pages 69-12
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Long-term human space exploration missions require environmental control and closed Life Support Systems (LSS) capable of producing and recycling resources, thus fulfilling all the essential metabolic needs for human survival in harsh space environments, both during travel and on orbital/planetary stations. This will become increasingly necessary as missions reach farther away from Earth, thereby limiting the technical and economic feasibility of resupplying resources from Earth. Further incorporation of biological elements into state-of-the-art (mostly abiotic) LSS, leading to bioregenerative LSS (BLSS), is needed for additional resource recovery, food production, and waste treatment solutions, and to enable more self-sustainable missions to the Moon and Mars. There is a whole suite of functions crucial to sustain human presence in Low Earth Orbit (LEO) and successful settlement on Moon or Mars such as environmental control, air regeneration, waste management, water supply, food production, cabin/habitat pressurization, radiation protection, energy supply, and means for transportation, communication, and recreation. In this paper, we focus on air, water and food production, and waste management, and address some aspects of radiation protection and recreation. We briefly discuss existing knowledge, highlight open gaps, and propose possible future experiments in the short-, medium-, and long-term to achieve the targets of crewed space exploration also leading to possible benefits on Earth.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001093834300001 Publication Date 2023-08-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2373-8065 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:199050 Serial 8916
Permanent link to this record
 

 
Author Parrilla, M.; Slosse, A.; Van Echelpoel, R.; Montiel, F.N.; Langley, A.R.; Van Durme, F.; De Wael, K.
  Title Rapid on-site detection of illicit drugs in smuggled samples with a portable electrochemical device Type A1 Journal article
  Year 2022 Publication Chemosensors Abbreviated Journal
  Volume 10 Issue 3 Pages 108-116
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract The smuggling of illicit drugs urges the development of new tools for rapid on-site identification in cargos. Current methods rely on presumptive color tests and portable spectroscopic techniques. However, these methods sometimes exhibit inaccurate results due to commonly used cutting agents, the colorful nature of the sample or because the drugs are smuggled in common goods. Interestingly, electrochemical sensors can deal with these specific problems. Herein, an electrochemical device is presented that uses affordable screen-printed electrodes for the electrochemical profiling of several illicit drugs by square-wave voltammetry (SWV). The identification of the illicit compound is based on the oxidation potential of the analyte. Hence, a library of electrochemical profiles is built upon the analysis of illicit drugs and common cutting agents. This library allows the design of a tailor-made script that enables the identification of each drug through a user-friendly interface (laptop or mobile phone). Importantly, the electrochemical test is compared by analyzing 48 confiscated samples with other portable devices based on Raman and FTIR spectroscopy as well as a laboratory standard method (i.e., gas chromatography-mass spectrometry). Overall, the electrochemical results, obtained through the analysis of different samples from confiscated cargos at an end-user site, present a promising alternative to current methods, offering low-cost and rapid testing in the field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000775813500001 Publication Date 2022-03-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2227-9040 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:187766 Serial 8920
Permanent link to this record
 

 
Author de Jong, M.; Van Echelpoel, R.; Langley, A.R.; Eliaerts, J.; van den Berg, J.; De Wilde, M.; Somers, N.; Samyn, N.; De Wael, K.
  Title Real-time electrochemical screening of cocaine in lab and field settings with automatic result generation Type A1 Journal article
  Year 2022 Publication Drug testing and analysis Abbreviated Journal
  Volume 14 Issue 8 Pages 1471-1481
  Keywords A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract This work presents the results of a novel application for the fast on-site screening of cocaine and its main cutting agents in suspicious and confiscated samples. The methodology behind the novel application consists of portable electrochemical detection coupled with a peak-recognition algorithm for automated result output generation, validated both in laboratory and field settings. Currently used field tests, predominantly colorimetric tests, are lacking accuracy, often giving false positive or negative results. This presses the need for alternative approaches to field testing. By combining portable electrochemical approaches with peak-recognition algorithms, an accuracy of 98.4% concerning the detection of cocaine was achieved on a set of 374 powder samples. In addition, the approach was tested on multiple 'smuggled', colored cocaine powders and cocaine mixtures in solid and liquid states, typically in matrices such as charcoal, syrup and clothing. Despite these attempts to hide cocaine, our approach succeeded in detecting cocaine during on-site screening scenarios. This feature presents an advantage over colorimetric and optical detection techniques, which can fail with colored sample matrices. This enhanced accuracy on smuggled samples will lead to increased efficiency in confiscation procedures in the field, thus significantly reducing societal economic and safety concerns and highlighting the potential for electrochemical approaches in on-the-spot identification of drugs of abuse.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000790965700001 Publication Date 2022-04-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1942-7603; 1942-7611 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:187767 Serial 8921
Permanent link to this record
 

 
Author Ortiz-Aguayo, D.; Ceto, X.; De Wael, K.; del Valle, M.
  Title Resolution of opiate illicit drugs signals in the presence of some cutting agents with use of a voltammetric sensor array and machine learning strategies Type A1 Journal article
  Year 2022 Publication Sensors and actuators : B : chemical Abbreviated Journal
  Volume 357 Issue Pages 131345
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract In the present work, the resolution and quantification of mixtures of different opiate compounds in the presence of common cutting agents using an electronic tongue (ET) is evaluated. More specifically, ternary mixtures of heroin, morphine and codeine were resolved in the presence of caffeine and paracetamol. To this aim, an array of three carbon screen-printed electrodes were modified with different ink-like solutions of graphite, cobalt (II) phthalocyanine and palladium, and their responses towards the different drugs were characterized by means of square wave voltammetry (SWV). Developed sensors showed a good performance with good linearity at the mu M level, LODs between 1.8 and 5.3 mu M for the 3 actual drugs, and relative standard deviation (RSD) ca. 2% for over 50 consecutive measurements. Next, a quantitative model that allowed the identification and quantification of the individual substances from the overlapped voltammograms was built using partial least squares regression (PLS) as the modeling tool. With this approach, quantification of the different drugs was achieved at the mu M level, with a total normalized root mean square error (NRMSE) of 0.084 for the test subset.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000745113900003 Publication Date 2021-12-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:185446 Serial 8922
Permanent link to this record
 

 
Author Neven, L.; Barich, H.; Pelmuş, M.; Gorun, S.M.; De Wael, K.
  Title The role of singlet oxygen, superoxide, hydroxide, and hydrogen peroxide in the photoelectrochemical response of phenols at a supported highly fluorinated zinc phthalocyanine Type A1 Journal article
  Year 2022 Publication ChemElectroChem Abbreviated Journal
  Volume 9 Issue 6 Pages e202200108-10
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Photoelectrochemical (PEC) sensing of phenolic compounds using singlet oxygen (1O2)-generating photocatalysts has emerged as a powerful detection tool. However, it is currently not known how experimental parameters, such as pH and applied potential, influence the generation of reactive oxygen species (ROS) and their photocurrents. In this article, the PEC response was studied over the 6 to 10 pH range using a rotating (ring) disk (R(R)DE) set-up in combination with quenchers, to identify the ROS formed upon illumination of a supported photosensitizer, F64PcZn. The photocurrents magnitude depended on the applied potential and the pH of the buffer solution. The anodic responses were caused by the oxidation of O2.−, generated due to the quenching of 1O2 with −OH and the reaction of 3O2 with [F64Pc(3-)Zn]. The cathodic responses were assigned to the reduction of 1O2 and O2.−, yielding H2O2. These insights may benefit 1O2 – based PEC sensing applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000773947300003 Publication Date 2022-02-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-0216 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:187524 Serial 8926
Permanent link to this record
 

 
Author Filez, M.; Feng, J.-Y.; Minjauw, M.M.; Solano, E.; Poonkottil, N.; Van Daele, M.; Ramachandran, R.K.; Li, C.; Bals, S.; Poelman, H.; Detavernier, C.; Dendooven, J.; Filez, M.; Minjauw, M.; Solano, E.; Poonkottil, N.; Li, C.; Bals, S.; Dendooven, J.
  Title Shuffling atomic layer deposition gas sequences to modulate bimetallic thin films and nanoparticle properties Type A1 Journal article
  Year 2022 Publication Chemistry of materials Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Atomic layer deposition (ALD) typically employs metal precursors and co-reactant pulses to deposit thin films in a layer-by-layer fashion. While conventional ABAB-type ALD sequences implement only two functionalities, namely, a metal source and ligand exchange agent, additional functionalities have emerged, including etching and reduction agents. Herein, we construct gas-phase sequences-coined as ALD+-with complex-ities reaching beyond the classic ABAB-type ALD by freely combining multiple functionalities within irregular pulse schemes, e.g., ABCADC. The possibilities of such combinations are explored as a smart strategy to tailor bimetallic thin films and nanoparticle (NP) properties. By doing so, we demonstrate that bimetallic thin films can be tailored with target thickness and through the full compositional range, while the morphology can be flexibly modulated from thin films to NPs by shuI 1ing the pulse sequence. These complex pulse schemes are expected to be broadly applicable but are here explored for Pd-Ru bimetallic thin films and NPs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000823205700001 Publication Date 2022-06-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited 2 Open Access OpenAccess
  Notes This research was funded by the Research Foundation, Flanders (FWO) , and the Special Research Fund BOF of Ghent University (GOA 01G01019) . M.F. and M.M.M. acknowledge the FWO for a postdoctoral research fellowship (1280621N) . N.P. acknowledges the European Union's Horizon 2020 research and innovation program under the Marie Skiodowska-Curie grant agreement no. 765378. For the GISAXS measurements, the author s received funding from the European Community's Transnational Access Program CALIPSOplus. E.S. acknowledges the Spanish project RTI2018-093996-B-C32 MICINN/FEDER funds. Air Liquide is acknowledged for supporting this research. The authors acknowledge SOLEIL for the provision of synchrotron radiation facilities and would like to thank Dr. Alessandro Coati for assistance in using beamline SiXS. The GIWAXS experiments were performed at NCD-SWEET beamline at ALBA Synchrotron with the collaboration of ALBA staff . Approved no
  Call Number UA @ admin @ c:irua:189541 Serial 8928
Permanent link to this record
 

 
Author Blundo, E.; Faria, P.E., Jr.; Surrente, A.; Pettinari, G.; Prosnikov, M.A.; Olkowska-Pucko, K.; Zollner, K.; Wozniak, T.; Chaves, A.; Kazimierczuk, T.; Felici, M.; Babinski, A.; Molas, M.R.; Christianen, P.C.M.; Fabian, J.; Polimeni, A.
  Title Strain-Induced Exciton Hybridization in WS2 Monolayers Unveiled by Zeeman-Splitting Measurements Type A1 Journal article
  Year 2022 Publication Physical review letters Abbreviated Journal
  Volume 129 Issue 6 Pages 067402
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Mechanical deformations and ensuing strain are routinely exploited to tune the band gap energy and to enhance the functionalities of two-dimensional crystals. In this Letter, we show that strain leads also to a strong modification of the exciton magnetic moment in WS2 monolayers. Zeeman-splitting measurements under magnetic fields up to 28.5 T were performed on single, one-layer-thick WS2 microbubbles. The strain of the bubbles causes a hybridization of k-space direct and indirect excitons resulting in a sizable decrease in the modulus of they factor of the ground-state exciton. These findings indicate that strain may have major effects on the way the valley number of excitons can be used to process binary information in two-dimensional crystals.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000842367600007 Publication Date 2022-08-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007; 1079-7114 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:198538 Serial 8936
Permanent link to this record
 

 
Author Reyntjens, P.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.
  Title Ultrascaled graphene-capped interconnects : a quantum mechanical study Type P1 Proceeding
  Year 2023 Publication Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC) / IEEE, Materials for Advanced Metallization Conference (MAM), MAY 22-25, 2023, Dresden, Germany Abbreviated Journal
  Volume Issue Pages 1-3
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract In this theoretical study, we assess the impact of a graphene capping layer on the resistivity of defective, extremely scaled interconnects. We investigate the effect of graphene capping on the electronic transport in ultrascaled interconnects, in the presence of grain boundary defects in the metal layer. We compare the results obtained using our quantum mechanical model to a simple parallel-conductor model and find that the parallel-conductor model does not capture the effect of the graphene cap correctly. At 0.5 nm metal thickness, the parallel-conductor model underestimates the conductivity by 3.0% to 4.0% for single-sided and double sided graphene capping, respectively.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001027381700006 Publication Date 2023-06-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 979-83-503-1097-9 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:198343 Serial 8949
Permanent link to this record
 

 
Author Parrilla, M.; Detamornrat, U.; Domínguez-Robles, J.; Donnelly, R.F.; De Wael, K.
  Title Wearable hollow microneedle sensing patches for the transdermal electrochemical monitoring of glucose Type A1 Journal article
  Year 2022 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal
  Volume 249 Issue Pages 123695-123699
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract According to the World Health Organization, about 422 million people worldwide have diabetes, with 1.5 million deaths directly attributed each year. Therefore, there is still a need to effectively monitor glucose in diabetic patients for proper management. Recently, wearable patches based on microneedle (MN) sensors provide minimally invasive analysis of glucose through the interstitial fluid (ISF) while exhibiting excellent correlation with blood glucose. Despite many advances in wearable electrochemical sensors, long-term stability and continuous monitoring remain unsolved challenges. Herein, we present a highly stable electrochemical biosensor based on a redox mediator bilayer consisting of Prussian blue and iron-nickel hexacyanoferrate to increase the long-term stability of the readout coupled with a hollow MN array as a sampling unit for ISF uptake. First, the enzymatic biosensor is developed by using affordable screen-printed electrodes (SPE) and optimized for long-term stability fitting the physiological range of glucose in ISF (i.e., 2.5–22.5 mM). In parallel, the MN array is assessed for minimally invasive piercing of the skin. Subsequently, the biosensor is integrated with the MN array leaving a microfluidic spacer that works as the electrochemical cell. Interestingly, a microfluidic channel connects the cell with an external syringe to actively and rapidly withdraw ISF toward the cell. Finally, the robust MN sensing patch is characterized during in vitro and ex vivo tests. Overall, affordable wearable MN-based patches for the continuous monitoring of glucose in ISF are providing an advent in wearable devices for rapid and life-threatening decision-making processes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000826441800002 Publication Date 2022-06-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:188955 Serial 8955
Permanent link to this record
 

 
Author Parrilla, M.; Vanhooydonck, A.; Watts, R.; De Wael, K.
  Title Wearable wristband-based electrochemical sensor for the detection of phenylalanine in biofluids Type A1 Journal article
  Year 2022 Publication Biosensors and bioelectronics Abbreviated Journal
  Volume 197 Issue Pages
  Keywords A1 Journal article; Engineering sciences. Technology; Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Wearable electrochemical sensors are driven by the user-friendly capability of on-site detection of key biomarkers for health management. Despite the advances in biomolecule monitoring such as glucose, still, several unmet clinical challenges need to be addressed. For example, patients suffering from phenylketonuria (PKU) should be able to monitor their phenylalanine (PHE) level in a rapid, decentralized, and affordable manner to avoid high levels of PHE in the body which can lead to a profound and irreversible mental disability. Herein, we report a wearable wristband electrochemical sensor for the monitoring of PHE tackling the necessity of controlling PHE levels in PHE hydroxylase deficiency patients. The proposed electrochemical sensor is based on a screen-printed electrode (SPE) modified with a membrane consisting of Nafion, to avoid interferences in biofluids. The membrane also consists of sodium 1,2-naphthoquinone-4-sulphonate for the in situ derivatization of PHE into an electroactive product, allowing its electrochemical oxidation at the surface of the SPE in alkaline conditions. Importantly, the electrochemical sensor is integrated into a wristband configuration to enhance user interaction and engage the patient with PHE self-monitoring. Besides, a paper-based sampling strategy is designed to alkalinize the real sample without the need for sample pretreatment, and thus simplify the analytical process. Finally, the wearable device is tested for the determination of PHE in saliva and blood serum. The proposed wristband-based sensor is expected to impact the PKU self-monitoring, facilitating the daily lives of PKU patients toward optimal therapy and disease management.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000719366400003 Publication Date 2021-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0956-5663 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access OpenAccess
  Notes Approved no
  Call Number UA @ admin @ c:irua:183086 Serial 8957
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Author Mychinko, M.
  Title Advanced Electron Tomography to Investigate the Growth and Stability of Complex Metal Nanoparticles = Geavanceerde Elektronentomografie om de Groei en Stabiliteit van Complexe Metallische Nanodeeltjes te Onderzoeken Type Doctoral thesis
  Year 2024 Publication Abbreviated Journal
  Volume Issue Pages 227 p.
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract During the past decades, metallic nanoparticles (NPs) have attracted great attention in materials science due to their specific optical properties based on surface plasmon resonances. Because of these phenomena, plasmonic NPs (or nanoplasmonics) are very promising for application in biosensing, photocatalysts, medicine, data storage, solar energy conversion, etc. Currently, colloidal synthesis techniques enable scientists to routinely produce mono and bimetallic NPs of various shapes, sizes, composition, and elemental distribution, with superior properties for plasmonic applications. Two primary directions for further advancing nanoplasmonic-based technologies include synthesizing novel morphologies, such as highly asymmetric chiral NPs, and gaining deeper insights into the factors affecting the stability of produced nanoplasmonics. With the increasing complexity of nanoplasmonics morphologies and higher stability requirements, there is a pressing need for thorough investigations into their 3D structures and their evolution under different conditions, with high resolution. Electron tomography (ET) emerges as an ideal tool to retrieve shape and element-sensitive information about individual nanoparticles in 3D, achieving resolutions down to the atomic level. Moreover, ET techniques can be combined with in situ holders, enabling detailed studies of processes mimicking real applications of nanoplasmonic-based devices. The first part of this thesis will focus on detailed studies of chiral Au NPs, promising for spectroscopy techniques based on the differential absorption of left- and right-handed circularly polarized light. Specifically, I will discuss the primary strategies for wet-colloidal growth of the various types of intrinsically chiral Au NPs. Advanced ET methods will be demonstrated as powerful tools for characterizing the final helical morphologies of the produced Au NPs and for studying the chiral growth mechanisms by examining intermediate structures obtained during chiral growth. The second part will focus on the heat-induced stability of various Au@Ag core-shell NPs. Operating in real conditions, such as elevated temperatures, may cause particle reshaping and redistribution of metals between the core and shell, gradually altering nanoplasmonics properties. Hence, a thorough understanding of the influence of size, shape, and defects on these processes is crucial for further developments. Recently developed techniques, combining fast ET with in-situ heating holders, have allowed me to evaluate the influence of various parameters (size, shape, defect structure) on heat-induced elemental redistribution in Au@Ag core-shell nanoparticles qualitatively and quantitatively. Additionally, I will discuss the prospects of high-resolution ET for visualizing the diffusion of individual atoms within complex nanostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:202976 Serial 9001
Permanent link to this record
 

 
Author Zaryouh, H.; Verswyvel, H.; Bauwens, M.; Van Haesendonck, G.; Deben, C.; Lin, A.; De Waele, J.; Vermorken, J.B.; Koljenovic, S.; Bogaerts, A.; Lardon, F.; Smits, E.; Wouters, A.
  Title De belofte van hoofdhalskankerorganoïden in kankeronderzoek : een blik op de toekomst Type A2 Journal article
  Year 2023 Publication Onco-hemato : multidisciplinair tijdschrift voor oncologie Abbreviated Journal
  Volume 17 Issue 7 Pages 54-58
  Keywords A2 Journal article; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Hoofd-halskanker vormt een aanzienlijke uitdaging met bijna 900.000 nieuwe diagnoses per jaar, waarbij de jaarlijkse incidentie blijft stijgen. Vaak wordt de diagnose pas in een laat stadium gesteld, wat complexe behandelingen noodzakelijk maakt. Terugval van patiënten is helaas een veelvoorkomend probleem. De gemiddelde overlevingsduur is beperkt tot enkele maanden. Daarom is er een dringende behoefte om nieuwe, veelbelovende behandelingen te ontwikkelen voor patiënten met hoofd-halskanker. Voor het bereiken van deze vooruitgang spelen innovatieve studiemodellen een cruciale rol. Het ontwikkelen van deze nieuwe behandelingen start met laboratoriumonderzoek, waarbij traditionele tweedimensionale celculturen hun beperkingen hebben. Daarom verschuiven onderzoekers hun aandacht meer en meer naar geavanceerdere driedimensionale modellen, met hoofd-halskankerorganoïden als beloftevol nieuw model. Dit model behoudt immers zowel het genetische profiel als de morfologische kenmerken van de originele tumor van de hoofd-halskankerpatiënt. Hoofdhalskankerorganoïden bieden daarom de mogelijkheid om innovatieve behandelingen te testen en kunnen mogelijk zelfs de respons van een patiënt op bepaalde therapieën voorspellen. Hoewel tumororganoïden als ‘patiënt-in-het-lab’ veelbelovend zijn, zijn er uitdagingen te overwinnen, zoals de ontwikkelingstijd en de toepasbaarheid bij alle tumortypes, evenals het ontbreken van immuuncellen en andere micro-omgevingscomponenten. Er is daarom een grote behoefte aan gestandaardiseerde protocollen voor de ontwikkeling van organoïden en verkorting van de ontwikkelingstijd. Concluderend bieden driedimensionale hoofd-halskankerorganoïden een veelbelovend perspectief voor de toekomst van kankerbehandelingen. Ze hebben het potentieel om bij te dragen aan de ontwikkeling van gepersonaliseerde behandelingen en zo de overlevingskansen van kankerpatiënten te verbeteren. Het is echter belangrijk om hun voorspellend vermogen en toepassingsmogelijkheden verder te onderzoeken, voordat ze op grote schaal worden geïmplementeerd.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2030-2738 ISBN Additional Links UA library record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:202271 Serial 9004
Permanent link to this record
 

 
Author Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-navarro, N.C.; Miura, A.; Tadanaga, K.
  Title CO₂ electrochemical reduction with Zn-Al layered double hydroxide-loaded gas-diffusion electrode Type A1 Journal article
  Year 2023 Publication Electrochemistry Abbreviated Journal
  Volume 91 Issue 9 Pages 097003-97007
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001082818000001 Publication Date 2023-09-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:200340 Serial 9009
Permanent link to this record
 

 
Author Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-Navarro, N.C.; Miura, A.; Tadanaga, K.
  Title CO2 Electrochemical Reduction with Zn-Al Layered Double Hydroxide-Loaded Gas-Diffusion Electrode (Supporting Information) Type Dataset
  Year 2023 Publication Abbreviated Journal
  Volume Issue Pages
  Keywords Dataset; Electron microscopy for materials research (EMAT)
  Abstract Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001079191200001 Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:200933 Serial 9010
Permanent link to this record
 

 
Author McLachlan, G.; Majdak, P.; Reijniers, J.; Mihocic, M.; Peremans, H.
  Title Dynamic spectral cues do not affect human sound localization during small head movements Type A1 Journal article
  Year 2023 Publication Frontiers in neuroscience Abbreviated Journal
  Volume 17 Issue Pages 1027827-10
  Keywords A1 Journal article; Psychology; Condensed Matter Theory (CMT); Engineering Management (ENM)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000938567400001 Publication Date 2023-02-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1662-4548; 1662-453x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:194507 Serial 9025
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Author Faust, V.; Vlaeminck, S.E.; Ganigué, R.; Udert, K.M.
  Title Influence of pH on urine nitrification : community shifts of ammonia-oxidizing bacteria and inhibition of nitrite-oxidizing bacteria Type A1 Journal article
  Year 2024 Publication ACS ES&T engineering Abbreviated Journal
  Volume 4 Issue 2 Pages 342-353
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2023-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor (down) Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:203306 Serial 9048
Permanent link to this record
 

 
Author Hugenschmidt, M.; Jannis, D.; Kadu, A.A.; Grünewald, L.; De Marchi, S.; Perez-Juste, J.; Verbeeck, J.; Van Aert, S.; Bals, S.
  Title Low-dose 4D-STEM tomography for beam-sensitive nanocomposites Type A1 Journal article
  Year 2023 Publication ACS materials letters Abbreviated Journal
  Volume 6 Issue 1 Pages 165-173
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Electron tomography is essential for investigating the three-dimensional (3D) structure of nanomaterials. However, many of these materials, such as metal-organic frameworks (MOFs), are extremely sensitive to electron radiation, making it difficult to acquire a series of projection images for electron tomography without inducing electron-beam damage. Another significant challenge is the high contrast in high-angle annular dark field scanning transmission electron microscopy that can be expected for nanocomposites composed of a metal nanoparticle and an MOF. This strong contrast leads to so-called metal artifacts in the 3D reconstruction. To overcome these limitations, we here present low-dose electron tomography based on four-dimensional scanning transmission electron microscopy (4D-STEM) data sets, collected using an ultrafast and highly sensitive direct electron detector. As a proof of concept, we demonstrate the applicability of the method for an Au nanostar embedded in a ZIF-8 MOF, which is of great interest for applications in various fields, including drug delivery.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001141178500001 Publication Date 2023-12-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2639-4979 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access Not_Open_Access
  Notes This work was supported by the European Research Council (Grant 815128 REALNANO to S.B., Grant 770887 PICOMETRICS to S.V.A.). J.P.-J. and S.M. acknowledge financial support from the MCIN/AEI/10.13039/501100011033 (Grants No. PID2019-108954RB-I00) and EU Horizon 2020 research and innovation program under grant agreement no. 883390 (SERSing). J.V., S.B., S.V.A., and L.G. acknowledge funding from the Flemish government (iBOF-21-085 PERsist). Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:202771 Serial 9053
Permanent link to this record
 

 
Author Kumar, M.; Sengupta, A.; Kummamuru, N.B.
  Title Molecular simulations for carbon dioxide capture in silica slit pores Type A3 Journal article
  Year 2023 Publication Materials Today: Proceedings Abbreviated Journal
  Volume Issue Pages 1-9
  Keywords A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2023-05-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2214-7853 ISBN Additional Links UA library record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:200944 Serial 9058
Permanent link to this record
 

 
Author Johnson, G.; Yang, M.Y.; Liu, C.; Zhou, H.; Zuo, X.; Dickie, D.A.; Wang, S.; Gao, W.; Anaclet, B.; Perras, F.A.; Ma, F.; Zeng, C.; Wang, D.; Bals, S.; Dai, S.; Xu, Z.; Liu, G.; Goddard III, W.A.; Zhang, S.
  Title Nanocluster superstructures assembled via surface ligand switching at high temperature Type A1 Journal article
  Year 2023 Publication Nature synthesis Abbreviated Journal
  Volume 2 Issue 9 Pages 828-837
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Superstructures with nanoscale building blocks, when coupled with precise control of the constituent units, open opportunities in rationally designing and manufacturing desired functional materials. Yet, synthetic strategies for the large-scale production of superstructures are scarce. We report a scalable and generalized approach to synthesizing superstructures assembled from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters alongside a detailed description of the self-assembly mechanism. Combining operando small-angle X-ray scattering, ex situ molecular and structural characterizations, and molecular dynamics simulations indicates that a high-temperature ligand-switching mechanism, from oleate to benzoate, governs the formation of the nanocluster assembly. The chemical tuning of surface ligands controls superstructure disassembly and reassembly, and furthermore, enables the synthesis of multicomponent superstructures. This synthetic approach, and the accurate mechanistic understanding, are promising for the preparation of superstructures for use in electronics, plasmonics, magnetics and catalysis. Synthesizing superstructures with precisely controlled nanoscale building blocks is challenging. Here the assembly of superstructures is reported from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters and their multicomponent combinations. A high-temperature ligand-switching mechanism controls the self-assembly.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001124824000001 Publication Date 2023-05-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited 2 Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:202180 Serial 9060
Permanent link to this record
 

 
Author Derks, K.; Youchaeva, M.; Van der Snickt, G.; Van der Stighelen, K.; Janssens, K.
  Title Reconstructing Sweerts : practical insights into the historical dark halo technique based on paint reconstructions Type P1 Proceeding
  Year 2024 Publication Abbreviated Journal
  Volume Issue Pages 259-271 T2 - Alla maniera : technical art history
  Keywords P1 Proceeding; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-90-429-5216-4 ISBN Additional Links UA library record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:203062 Serial 9082
Permanent link to this record
 

 
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.
  Title Single-organoid analysis reveals clinically relevant treatment-resistant and invasive subclones in pancreatic cancer Type A1 Journal article
  Year 2023 Publication npj Precision Oncology Abbreviated Journal
  Volume 7 Issue 1 Pages 128-14
  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)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001118015800001 Publication Date 2023-12-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2397-768x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:201455 Serial 9091
Permanent link to this record
 

 
Author Gao, Y.-J.; Jin, H.; Esteban, D.A.; Weng, B.; Saha, R.A.; Yang, M.-Q.; Bals, S.; Steele, J.A.; Huang, H.; Roeffaers, M.B.J.
  Title 3D-cavity-confined CsPbBr₃ quantum dots for visible-light-driven photocatalytic C(sp³)-H bond activation Type A1 Journal article
  Year 2024 Publication Carbon Energy Abbreviated Journal
  Volume Issue Pages e559
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Metal halide perovskite (MHP) quantum dots (QDs) offer immense potential for several areas of photonics research due to their easy and low-cost fabrication and excellent optoelectronic properties. However, practical applications of MHP QDs are limited by their poor stability and, in particular, their tendency to aggregate. Here, we develop a two-step double-solvent strategy to grow and confine CsPbBr3 QDs within the three-dimensional (3D) cavities of a mesoporous SBA-16 silica scaffold (CsPbBr3@SBA-16). Strong confinement and separation of the MHP QDs lead to a relatively uniform size distribution, narrow luminescence, and good ambient stability over 2 months. In addition, the CsPbBr3@SBA-16 presents a high activity and stability for visible-light-driven photocatalytic toluene C(sp(3))-H bond activation to produce benzaldehyde with similar to 730 mu mol g(-1) h(-1) yield rate and near-unity selectivity. Similarly, the structural stability of CsPbBr3@SBA-16 QDs is superior to that of both pure CsPbBr3 QDs and those confined in MCM-41 with 1D channels.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001223583600001 Publication Date 2024-05-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2637-9368 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:206000 Serial 9133
Permanent link to this record
 

 
Author Deben, C.; Freire Boullosa, L.; Rodrigues Fortes, F.; Cardenas De La Hoz, E.; Le Compte, M.; Seghers, S.; Peeters, M.; Vanlanduit, S.; Lin, A.; Dijkstra, K.K.; Van Schil, P.; Hendriks, J.M.H.; Prenen, H.; Roeyen, G.; Lardon, F.; Smits, E.
  Title Auranofin repurposing for lung and pancreatic cancer : low CA12 expression as a marker of sensitivity in patient-derived organoids, with potentiated efficacy by AKT inhibition Type A1 Journal article
  Year 2024 Publication Journal of Experimental and Clinical Cancer Research Abbreviated Journal
  Volume 43 Issue 1 Pages 88-15
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE)
  Abstract Background This study explores the repurposing of Auranofin (AF), an anti-rheumatic drug, for treating non-small cell lung cancer (NSCLC) adenocarcinoma and pancreatic ductal adenocarcinoma (PDAC). Drug repurposing in oncology offers a cost-effective and time-efficient approach to developing new cancer therapies. Our research focuses on evaluating AF's selective cytotoxicity against cancer cells, identifying RNAseq-based biomarkers to predict AF response, and finding the most effective co-therapeutic agents for combination with AF. Methods Our investigation employed a comprehensive drug screening of AF in combination with eleven anticancer agents in cancerous PDAC and NSCLC patient-derived organoids (n = 7), and non-cancerous pulmonary organoids (n = 2). Additionally, we conducted RNA sequencing to identify potential biomarkers for AF sensitivity and experimented with various drug combinations to optimize AF's therapeutic efficacy. Results The results revealed that AF demonstrates a preferential cytotoxic effect on NSCLC and PDAC cancer cells at clinically relevant concentrations below 1 µM, sparing normal epithelial cells. We identified Carbonic Anhydrase 12 (CA12) as a significant RNAseq-based biomarker, closely associated with the NF-κB survival signaling pathway, which is crucial in cancer cell response to oxidative stress. Our findings suggest that cancer cells with low CA12 expression are more susceptible to AF treatment. Furthermore, the combination of AF with the AKT inhibitor MK2206 was found to be particularly effective, exhibiting potent and selective cytotoxic synergy, especially in tumor organoid models classified as intermediate responders to AF, without adverse effects on healthy organoids. Conclusion Our research offers valuable insights into the use of AF for treating NSCLC and PDAC. It highlights AF's cancer cell selectivity, establishes CA12 as a predictive biomarker for AF sensitivity, and underscores the enhanced efficacy of AF when combined with MK2206 and other therapeutics. These findings pave the way for further exploration of AF in cancer treatment, particularly in identifying patient populations most likely to benefit from its use and in optimizing combination therapies for improved patient outcomes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001190581500001 Publication Date 2024-03-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1756-9966 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:204924 Serial 9136
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Author Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S.
  Title Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning Type Dataset
  Year 2024 Publication Abbreviated Journal
  Volume Issue Pages
  Keywords Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic‐resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state‐of‐the‐art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark‐field scanning transmission electron microscopy enables the acquisition of ten high‐resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allows resolving the real‐time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:205843 Serial 9143
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
  Title Floquet engineering of axion and high-Chern number phases in a topological insulator under illumination Type A1 Journal article
  Year 2024 Publication SciPost Physics Core Abbreviated Journal
  Volume 7 Issue 7 Pages 024-16
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Quantum anomalous Hall, high-Chern number, and axion phases in topological insulators are characterized by its Chern invariant C (respectively, C = 1, integer C > 1, and C = 0 with half-quantized Hall conductance of opposite signs on top and bottom surfaces). They are of recent interest because of novel fundamental physics and prospective applications, but identifying and controlling these phases has been challenging in practice. Here we show that these states can be created and switched between in thin films of Bi2Se3 by Floquet engineering, using irradiation by circularly polarized light. We present the calculated phase diagrams of encountered topological phases in Bi2Se3, as a function of wavelength and amplitude of light, as well as sample thickness, after properly taking into account the penetration depth of light and the variation of the gap in the surface states. These findings open pathways towards energy-efficient optoelectronics, advanced sensing, quantum information processing and metrology.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001217885300001 Publication Date 2024-05-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:205972 Serial 9151
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Author Tsonev, I.; Ahmadi Eshtehardi, H.; Delplancke, M.-P.; Bogaerts, A.
  Title Importance of geometric effects in scaling up energy-efficient plasma-based nitrogen fixation Type A1 Journal article
  Year 2024 Publication Sustainable energy & fuels Abbreviated Journal
  Volume Issue Pages 1-19
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Despite the recent promising potential of plasma-based nitrogen fixation, the technology faces significant challenges in efficient upscaling. To tackle this challenge, we investigate two reactors, i.e., a small one, operating in a flow rate range of 5-20 ln min-1 and current range of 200-500 mA, and a larger one, operating at higher flow rate (100-300 ln min-1) and current (400-1000 mA). Both reactors operate in a pin-to-pin configuration and are powered by direct current (DC) from the same power supply unit, to allow easy comparison and evaluate the effect of upscaling. In the small reactor, we achieve the lowest energy cost (EC) of 2.8 MJ mol-1, for a NOx concentration of 1.72%, at a flow rate of 20 ln min-1, yielding a production rate (PR) of 33 g h-1. These values are obtained in air; in oxygen-enriched air, the results are typically better, at the cost of producing oxygen-enriched air. In the large reactor, the higher flow rates reduce the NOx concentration due to lower SEI, while maintaining a similar EC. This stresses the important effect of the geometrical configuration of the arc, which is typically concentrated in the center of the reactor, resulting in limited coverage of the reacting gas flow, and this is identified as the limiting factor for upscaling. However, our experiments reveal that by changing the reactor configuration, and thus the plasma geometry and power deposition mechanisms, the amount of gas treated by the plasma can be enhanced, leading to successful upscaling. To obtain more insights in our experiments, we performed thermodynamic equilibrium calculations. First of all, they show that our measured lowest EC closely aligns with the calculated minimum thermodynamic equilibrium at atmospheric pressure. In addition, they reveal that the limited NOx production in the large reactor results from the contracted nature of the plasma. To solve this limitation, we let the large reactor operate in so-called torch configuration. Indeed, the latter enhances the NOx concentrations compared to the pin-to-pin configuration, yielding a PR of 80 g h-1 at an EC of 2.9 MJ mol-1 and NOx concentration of 0.31%. This illustrates the importance of reactor design in upscaling. With the focus on feasibility evaluation of scaling-up plasma-based nitrogen fixation by combined experiments and thermodynamic modelling, we aim to tackle the challenge of design and development of an energy-efficient and scaled-up plasma reactor.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001203657700001 Publication Date 2024-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:205435 Serial 9155
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