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Author Gielis, J.; Tavkhelidze, I.; Ricci, P.E. url  openurl
  Title Generalized Möbius-Listing bodies and the heart Type A3 Journal article
  Year 2023 Publication Sn – 2247-689x Abbreviated Journal  
  Volume 13 Issue 2 Pages 58-70  
  Keywords A3 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Generalized Möbius-Listing surfaces and bodies generalize Möbius bands, and this research was motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. The results can be applied in a wide range of fields in the natural science, and here we propose how they can serve as a model for the heart and the circulatory system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos http://rjm-cs.ro/2023v13i2_7.pdf#page=1 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; http://rjm-cs.ro/2023v13i2_7.pdf#page=1  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:200773 Serial 9043  
Permanent link to this record
 

 
Author Faust, V.; Vlaeminck, S.E.; Ganigué, R.; Udert, K.M. url  doi
openurl 
  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 Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:203306 Serial 9048  
Permanent link to this record
 

 
Author Van Echelpoel, R. url  isbn
openurl 
  Title Making an impact with voltammetric illicit drug sensors : bridging the gap between fundamental lab research and on-site application Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages xxviii, 194 p.  
  Keywords Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Illicit drugs are harmful substances, posing a threat to the health and safety of society. Policies, such as supply reduction and harm reduction, are in place to combat the illicit drug problem. Science can play a substantial role in this fight, by providing tools that enable these policies to be successfully enforced. One example are on-site detection tools, i.e. sensors that allow the on-site identification of an illicit drug in a sample of interest. Several technologies, such as color tests and portable spectroscopic techniques, are currently employed for this goal. Although these are valuable techniques, there is an opportunity for voltammetry, an electrochemical technique, to make an impactful addition to this repertoire of on-site detection tools. Despite its attractive features (low-cost, portable, short analysis time, indifference to color,...), voltammetric illicit drug sensor have failed to make an impact in real scenarios. The work outlined in this PhD thesis aims to change this by bringing the technology from the lab to the field. Strategic choices, fueled by feedback from end-users, were made to further develop those specific aspects of the technology that previously haltered the technology to fulfill its potential. A detection algorithm was introduced that converts the voltammetric output into a clear-cut interpretation thereof, opening up the technology to end-users without prior knowledge of the technology. A sensor that allows qualitative and quantitative detection of the psychoactive drug MDMA was introduced, and importantly, validated on a large set of 212 confiscated samples. A state-of-the art mobile application and adequate sampling methodology were developed, alongside other, often more practical studies and product developments, to evolve the technology into a product that truly creates value for end-users. Important steps towards multidrug detection were made with a festival sensor and a flowchart based on visual appearance that ties together a variety of voltammetric single sensors into a single multidrug sensing approach. Last but not least, multiple valorization aspects were researched, including a market study and an analysis to determine the optimal commercialization strategy. Overall, this PhD thesis has facilitated the transition of the voltammetric illicit drug sensing technology from lab to on-site application. The final application creates value for end-users, and is ready to make an impact in real on-site scenarios.  
  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 987-90-5728-534-7 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:200601 Serial 9055  
Permanent link to this record
 

 
Author Kumar, M.; Sengupta, A.; Kummamuru, N.B. url  doi
openurl 
  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 Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:200944 Serial 9058  
Permanent link to this record
 

 
Author Reijniers, J.; Partoens, B.; Peremans, H. openurl 
  Title Noise-resistant correlation-based alignment of head-related transfer functions for high-fidelity spherical harmonics representation Type P3 Proceeding
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT)  
  Abstract It is standard practice in virtual reality applications to synthesize binaural audio based on a discrete set of directionally-dependent head-related impulse responses (HRIRs). This set of HRIRs is often time-aligned in a pre-processing step, to allow for high-fidelity interpolation between HRIRs corresponding with neighbouring directions. The fidelity of this operation depends on the similarity of neighbouring aligned HRIRs. The pairwise quality of similarity makes it a difficult criterion to optimize globally and consequently one often resorts to alignment methods based on a specific feature that can be extracted for each HRIR separately, e.g., the first-onset of the peak or the group delay. However, such proxies for similarity are very sensitive to noise and therefore require a high signal-to-noise ratio, which makes them less suitable for processing HRIRs acquired outside an anechoic room. In this paper, we advance a novel alignment method, which maximizes the similarity – defined as the correlation between the full-length HRIRs – between neighbouring aligned HRIRs for all directions at once. We show that this correlation-based alignment procedure outperforms the first-onset alignment with regards to the fidelity of the spherical harmonics representation of both the spectral and interaural time difference (ITD) information, when tested on the KEMAR HRIR and six human HRIRs. Finally, we show that the correlation-based alignment is more robust to noise.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199714 Serial 9062  
Permanent link to this record
 

 
Author Gielis, J.; Tavkhelidze, I. url  doi
openurl 
  Title A note on Generalized Möbius-Listing Bodies Type P1 Proceeding
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages 31-39 T2 - Proceedings of the 1st International Sy  
  Keywords P1 Proceeding; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Generalized Möbius-Listing surfaces and bodies generalize Möbius bands, and this research was motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. In general, cutting leads to interlinked and intertwined different surfaces or bodies, resulting in very complex systems. However, under certain conditions, the result of cutting can be a single surface or body, which reduces complexity considerably. These conditions are based on congruence and rotational symmetry of the resulting cross sections after cutting, and on the knife cutting the origin  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-11-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-90-833839-0-3 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201047 Serial 9063  
Permanent link to this record
 

 
Author Yu, C.-P. url  isbn
openurl 
  Title Novel imaging methods of transmission electron microscopy based on electron beam scattering and modulation Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages x, 154 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Transmission electron microscopy (TEM) is a technique that uses an electron beam to analyze materials. This analysis is based on the interaction between the electron beam and the sample, such as photon emission and electron diffraction pattern, to name a few. Sample damage, however, also occurs when such interaction alters the structure of the sample. To ensure information from the undamaged material can be acquired, the electron expense to probe the material is thus limited. In this work, we propose efficient methods for acquiring and processing the information originating from the electron-sample interaction so that the study of the material and the conducting of the TEM experiment can be less hindered by the limited dose usage. In the first part of the work, the relationship between the scattering of the electron and the local physical property of the sample is studied. Based on this relationship, two reconstruction schemes are proposed capable of producing high-resolution images at low-dose conditions. Besides, the proposed reconstructions are not restricted to complete datasets but instead work on pieces of data, therefore allowing live feedback during data acquisition. Such feature of the methods allows the whole TEM experiment to be carried out under low dose conditions and thus further reduces possible beam damage on the studied material. In the second part of the work, we discuss our approach to modulating the electron beam and its benefits. An electrostatic device that can alter the wavefront of the passing electron wave is introduced and characterized. The beam-modulation ability is demonstrated by creating orthogonal beam sets, and applications that exploit the adaptability of the wave modulator are demonstrated with both simulation and experiments.  
  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 987-90-5728-534-7 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:200885 Serial 9064  
Permanent link to this record
 

 
Author Gao, J.; Huang, W.; Gielis, J.; Shi, P. url  doi
openurl 
  Title Plant morphology and function, geometric morphometrics, and modelling : decoding the mathematical secrets of plants Type Editorial
  Year 2023 Publication Plants Abbreviated Journal  
  Volume 12 Issue 21 Pages 3724-2  
  Keywords Editorial; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001103336500001 Publication Date 2023-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2223-7747 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201173 Serial 9072  
Permanent link to this record
 

 
Author Gao, J.; Huang, W.; Gielis, J.; Shi, P. url  doi
isbn  openurl
  Title Plant morphology and function, geometric morphometrics, and modelling : decoding the mathematical secrets of plants Type ME3 Book as editor
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages 224 p.  
  Keywords ME3 Book as editor; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Delve into the diverse aspects of plant morphology, their responses to global climate change, and the spatiotemporal dynamics of forest productivity. Join us on a journey through the intricate web of plant characteristics and their impact on the environment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2024-01-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-3-0365-9422-4; 978-3-0365-9423-1 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201545 Serial 9073  
Permanent link to this record
 

 
Author Xu, W. openurl 
  Title Plasma-catalytic DRM : study of LDH derived catalyst for DRM in a GAP plasma system Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages 350 p.  
  Keywords Doctoral thesis; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma is considered one of the promising technologies to solve greenhouse gas problems, as it can activate CO2 and CH4 at relatively low temperatures. Among the various types of plasmas, the gliding arc plasmatron (GAP) is promising, as it has a high level of non-equilibrium and high electron density. Nevertheless, the conversion of CO2 and CH4 in the GAP reactor is limited. Therefore, combining the GAP reactor with catalysts and making use of the heat produced by the plasma to provide thermal energy to the catalyst, forming a post-plasma catalytic (PPC) system, is hypothesized to improve its performance. Therefore, in this PhD research, we investigate important aspects of the PPC concept towards the use of the heat produced by GAP plasma to heat the plasma bed, without additional energy input. Aiming at this, based on a literature study (chapter 1), Ni-loaded layered double hydroxide (LDH) derived catalyst with good thermal catalytic DRM performance were chosen as the catalyst material. Before applying the LDH as a support material, the rehydration property of calcined LDH in moist and liquid environment was studied as part of chapter 2. The data indicated that after high temperatures calcination (600-900 C), the obtained layered double oxides (LDOs) can rehydrate into LDH, although, the rehydrated LDH were different from the original LDH. In chapter 3, different operating conditions, such as gas flow rate, gas compositions (e.g. CH4/CO2 ratio and nitrogen dilution), and addition of H2O were studied to investigate optimal conditions for PPC DRM, identifying possible differences in temperature profiles and exhaust gas compositions that might influence the catalytic performance. Subsequently, the impact of different PPC configurations, making use of the heat and exhaust gas composition produced by the GAP plasma, is shown in Chapter 4. Experiments studying the impact of adjusting the catalyst bed distance to the post-plasma, the catalyst amount, the influence of external heating (below 250 C) and the addition of H2O are discussed. As only limited improvement in the performance was achieved, a new type of catalyst bed was designed and utilized, as described in chapter 5. This improved configuration can realize better heat and mass transfer by directly connecting to the GAP device. The performance was improved and became comparable to the traditional thermal catalytic DRM results obtained at 800 C, although obtained by a fully electrically driven plasma.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201534 Serial 9074  
Permanent link to this record
 

 
Author Gielis, J.; Brasili, S. doi  isbn
openurl 
  Title Proceedings of the 1st International Symposium on Square Bamboos and the Geometree (ISSBG 2022) Type ME3 Book as editor
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages xi, 175 p.  
  Keywords ME3 Book as editor; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2023-11-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-90-833839-0-3 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201049 Serial 9077  
Permanent link to this record
 

 
Author Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. pdf  doi
openurl 
  Title Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials Type P1 Proceeding
  Year 2023 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan Abbreviated Journal  
  Volume Issue Pages 45-48  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001117703800012 Publication Date 2023-11-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-4-86348-803-8 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:202839 Serial 9079  
Permanent link to this record
 

 
Author Derks, K.; Youchaeva, M.; Van der Snickt, G.; Van der Stighelen, K.; Janssens, K. url  openurl
  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 Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:203062 Serial 9082  
Permanent link to this record
 

 
Author Poppe, R. url  openurl
  Title Refining short-range order parameters from diffuse electron scattering Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages iv, 150 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract Electrons, X-rays and neutrons that pass through a thin crystalline sample will be diffracted. Diffraction patterns of crystalline materials contain Bragg reflections (sharp discrete intensity maxima) and diffuse scattering (a weak continuous background). The Bragg reflections contain information about the average crystal structure (the type of atoms and the average atomic positions), whereas the diffuse scattering contains information about the short-range order (deviations from the average crystal structure that are ordered on a local scale). Because the properties of many materials depend on the short-range order, refining short-range order parameters is essential for understanding and optimizing material properties. The refinement of short-range order parameters has previously been applied to the diffuse scattering in single-crystal X-ray and single-crystal neutron diffraction data but not yet to the diffuse scattering in single-crystal electron diffraction data. In this work, we will verify the possibility to refine short-range order parameters from the diffuse scattering in single-crystal electron diffraction data. Electron diffraction allows to acquire data on submicron-sized crystals, which are too small to be investigated with single-crystal X-ray and single-crystal neutron diffraction. In the first part of this work, we will refine short-range order parameters from the one-dimensional diffuse scattering in electron diffraction data acquired on the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2. The number of stacking faults and the twin percentages will be refined from the diffuse scattering using a Monte Carlo refinement. We will also describe a method to determine the spinel/layered phase ratio from the intensities of the Bragg reflections in electron diffraction data. In the second part of this work, we will refine short-range order parameters from the three-dimensional diffuse scattering in both single-crystal electron and single-crystal X-ray diffraction data acquired on Nb0.84CoSb. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms will be refined from the diffuse scattering using a Monte Carlo refinement and a three-dimensional difference pair distribution function refinement. The effect of different experimental parameters on the spatial resolution of the observed diffuse scattering will also be investigated. Finally, the model of the short-range Nb-vacancy order in Nb0.84CoSb will also be applied to LiNi0.5Sn0.3Co0.2O2.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:200610 Serial 9084  
Permanent link to this record
 

 
Author Vervloessem, E. url  openurl
  Title The role of pulsing and humidity in plasma-based nitrogen fixation : a combined experimental and modeling study Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages 358 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Nitrogen (N) is an indispensable building block for all living organisms as well as for pharmaceutical and chemical industry. In a nutshell, N is needed for plants to grow and beings to live and nitrogen fixation (NF) is the process that makes N available for plants as food by converting N2 into a reactive form, such as ammonia (NH3) or nitrogen oxides (NOx), upon reacting with O2 and H2. The aim of this thesis is to elucidate (wet) plasma-based nitrogen fixation with a focus on (1) the role of pulsing in achieving low energy consumption, (2) the role of H2O as a hydrogen source in nitrogen fixation and (3) elucidation of nitrogen fixation pathways in humid air and humid N2 plasma in a combined experimental and computational study. Furthermore, this thesis aims to take into account the knowledge-gaps and challenges identified in the discussion of the state of the art. Specifically, (1) we put our focus on branching out to another way of introducing water into the plasma system, i.e. H2O vapor, (2) we de-couple the problem for pathway elucidation by starting with characterization of the chosen plasma, next a simpler gas mixture and building up from there, (3) we include modelling, though not under wet conditions and (4) we focus on also analyzing species and performance outside liquid H2O. Firstly, based on the reaction analysis of a validated quasi-1D model, we can conclude that pulsing is indeed the key factor for energy-efficient NOx- formation, due to the strong temperature drop it causes. Secondly, the thesis shows that added H2O vapor, and not liquid H2O, is the main source of H for NH3 generation. Related to this, we discuss how the selectivity of plasma-based NF in humid air and humid N2 can be controlled by changing the humidity in the feed gas. Interestingly, NH3 production can be achieved in both N2 and air plasmas using H2O as a H source. Lastly, we identified a significant loss mechanism for NH3 and HNO2 that occurs in systems where these species are synthesized simultaneously, i.e. downstream from the plasma, HNO2 reacts with NH3 to form NH4NO2, which decomposes into N2 and H2O. This reduces the effective NF when not properly addressed, and should therefore be considered in future works aimed at optimizing plasma-based NF. In conclusion, this thesis adds further to the current state of the art of plasma-based NF both in the presence of H2O and in dry systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:197038 Serial 9088  
Permanent link to this record
 

 
Author Jorissen, B.; Fernandes, L. openurl 
  Title Simple systems, complicated physics : an interview with Nir Navon Type Editorial
  Year 2023 Publication Belgian journal of physics Abbreviated Journal  
  Volume 1 Issue 6 Pages 4-5  
  Keywords Editorial; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract The EPS Antwerp Young Minds (AYM) invited Prof. Nir Navon (Yale University) to hold a colloquium for the physics department. For an audience of students and researchers, Prof. Navon presented recent advances in ultracold quantum matter and research from his own lab. His experimental work paves the way to make toy models used by theorists a reality. We sat down afterwards to discuss ultracold physics, box traps and setting up a lab from scratch.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:202673 Serial 9090  
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. url  doi
openurl 
  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 Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201455 Serial 9091  
Permanent link to this record
 

 
Author Peeters, H. openurl 
  Title Solar active photocatalytic self-cleaning coatings based on plasmon-embedded titania Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages XX, 125 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201390 Serial 9093  
Permanent link to this record
 

 
Author Dingenen, F. file  openurl
  Title Solar-driven H2 production from seawater using stabilized plasmon-enhanced photocatalysts Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages XXXVIII, 210 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology  
  Abstract As natural gas prices proved to be very volatile, sustainable alternatives are highly needed. Water-derived H2 was revealed as a promising substitute, allowing to produce a green energy carrier with a minimum of harmful emissions. Direct splitting of earth-abundant seawater provides an eco-friendly route for the production of clean H2, but is hampered by selectivity and stability issues due to the presence of salts.Photocatalytic seawater splitting is particularly promising for this purpose, as it seems less affected by adversary seawater effects and might rely on free and renewable solar power. Unfortunately, the benchmark photocatalyst, TiO2, still suffers from its low solar light activity. It is only actived upon illumination with energetic ultraviolet light (<5% of the sunlight). In order to broaden the activity window to the visible light, the concept of the 'plasmonic rainbow' was explored. Here, TiO2 is modified with various gold-silver composites that possess the unique optical phenomenon of Surface Plasmon Resonance (SPR). This phenomenon enables the absorption of light at very specific wavelengths, depending on the metal type, size, shape and dielectric environment. The light energy might then be converted into hot carriers, strong local electromagnetic fields and/or heat. By combining multiple composites with various sizes and compositions, a broadband absorption could be obtained, resulting in significantly enhanced activity in photocatalytic model reactions under simulated sunlight. The major disadvantage of these plasmonic nanoparticles is their tendency to oxidize and deactivate. To overcome this, polymer shell stabilization strategies were found to be effective to protect the metal cores. Both conductive and non-conductive polymers were studied. For the former, a mix-and-wait strategy generating polyaniline shells of 2-5 nm was used, whille the latter was based on a Layer-by-Layer approach, allowing (sub) nanometer thickness control. For the actual H2 production experiments, the plasmonic loading was optimized in a pure water:methanol scavenger (7:1) mixture and initially the stabilization strategies proofed to be effective for simulated seawater (0.5M NaCl), even after 2 years. However, in real seawater, the activity decreased drastically due to aggregation of the photocatalyst in the presence of multivalent cations. Finally, facile immobilization strategies using 3D printing showed to be able to yield stable, solar active photocatalyst for real seawater splitting.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:203196 Serial 9094  
Permanent link to this record
 

 
Author Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. doi  openurl
  Title Supplementary Information for “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” Type Dataset
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Supplementary information for the article “In-situ Plasma Studies using a Direct Current Microplasma in a Scanning Electron Microscope” containing the videos of in-situ SEM imaging (mp4 files), raw data/images, and Jupyter notebooks (ipynb files) for data treatment and plots. Link to the preprint: https://doi.org/10.48550/arXiv.2308.15123 Explanation of the data files can be found in the Information.pdf file. The Videos folder contains the in-situ SEM image series mentioned in the paper. If there are any questions/bugs, feel free to contact me at lukas.grunewaldatuantwerpen.be  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:203389 Serial 9100  
Permanent link to this record
 

 
Author Zaripov, A.A.; Khalilov, U.B.; Ashurov, K.B. pdf  doi
openurl 
  Title Synergism of the initial stage of removal of dielectric materials during electrical erosion processing in electrolytes Type A1 Journal article
  Year 2023 Publication Surface engineering and applied electrochemistry Abbreviated Journal  
  Volume 59 Issue 6 Pages 712-718  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Ceramics and composites, many of whose physicochemical properties significantly exceed similar properties of metals and their alloys, are processed qualitatively mainly by the electroerosion method. Despite the existing works, the mechanism of the initial stage of the removal of materials has not yet been identified. For a comprehensive understanding of the mechanism of the removal of dielectrics, a new model is proposed based on the experimental results obtained on an improved electroerosion installation. It was revealed that the initial stage of the removal of a dielectric material consists of three successive stages that are associated with the synergistic effect on the process of the anionic group of electrolytes, plasma flare, and the cavitation shock. This makes it possible to better understand the mechanism of the removal of composite and ceramic materials, which should contribute to ensuring the machinability of those materials and their wide use in promising technologies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001126070700009 Publication Date 2023-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1068-3755; 1934-8002 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:202754 Serial 9102  
Permanent link to this record
 

 
Author Biondo, O. openurl 
  Title Towards a fundamental understanding of energy-efficient, plasma-based CO<sub>2</sub> conversion Type Doctoral thesis
  Year 2023 Publication Abbreviated Journal  
  Volume Issue Pages 221 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma-based CO2 conversion is worldwide gaining increasing interest. The aim of this work is to find potential pathways to improve the energy efficiency of plasma-based CO2 conversion beyond what is feasible for thermal chemistry. To do so, we use a combination of modeling and experiments to better understand the underlying mechanisms of CO2 conversion, ranging from non-thermal to thermal equilibrium conditions. Zero-dimensional (0D) chemical kinetics modelling, describing the detailed plasma chemistry, is developed to explore the vibrational kinetics of CO2, as the latter is known to play a crucial role in the energy efficient CO2 conversion. The 0D model is successfully validated against pulsed CO2 glow discharge experiments, enabling the reconstruction of the complex dynamics underlying gas heating in a pure CO2 discharge, paving the way towards the study of gas heating in more complex gas mixtures, such as CO2 plasmas with high dissociation degrees. Energy-efficient, plasma-based CO2 conversion can also be obtained upon the addition of a reactive carbon bed in the post-discharge region. The reaction between solid carbon and O2 to form CO allows to both reduce the separation costs and increase the selectivity towards CO, thus, increasing the energy efficiency of the overall conversion process. In this regard, a novel 0D model to infer the mechanism underlying the performance of the carbon bed over time is developed. The model outcome indicates that gas temperature and oxygen complexes formed at the surface of solid carbon play a fundamental and interdependent role. These findings open the way towards further optimization of the coupling between plasma and carbon bed. Experimentally, it has been demonstrated that “warm” plasmas (e.g. microwave or gliding arc plasmas) can yield very high energy efficiency for CO2 conversion, but typically only at reduced pressure. For industrial application, it will be important to realize such good energy efficiency at atmospheric pressure as well. However, recent experiments illustrate that the microwave plasma at atmospheric pressure is too close to thermal conditions to achieve a high energy efficiency. Hence, we use a comprehensive set of advanced diagnostics to characterize the plasma and the reactor performance, focusing on CO2 and CO2/CH4 microwave discharges. The results lead to a deeper understanding of the mechanism of power concentration with increasing pressure, typical of plasmas in most gases, which is of great importance for model validation and understanding of reactor performance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:197213 Serial 9108  
Permanent link to this record
 

 
Author Vermeulen, B.B.; Raymenants, E.; Pham, V.T.; Pizzini, S.; Sorée, B.; Wostyn, K.; Couet, S.; Nguyen, V.D.; Temst, K. url  doi
openurl 
  Title Towards fully electrically controlled domain-wall logic Type A1 Journal article
  Year 2024 Publication AIP advances Abbreviated Journal  
  Volume 14 Issue 2 Pages 025030-25035  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Utilizing magnetic tunnel junctions (MTJs) for write/read and fast spin-orbit-torque (SOT)-driven domain-wall (DW) motion for propagation, enables non-volatile logic and majority operations, representing a breakthrough in the implementation of nanoscale DW logic devices. Recently, current-driven DW logic gates have been demonstrated via magnetic imaging, where the Dzyaloshinskii-Moriya interaction (DMI) induces chiral coupling between perpendicular magnetic anisotropy (PMA) regions via an in-plane (IP) oriented region. However, full electrical operation of nanoscale DW logic requires electrical write/read operations and a method to pattern PMA and IP regions compatible with the fabrication of PMA MTJs. Here, we study the use of a Hybrid Free Layer (HFL) concept to combine an MTJ stack with DW motion materials, and He+ ion irradiation to convert the stack from PMA to IP. First, we investigate the free layer thickness dependence of 100-nm diameter HFL-MTJ devices and find an optimal CoFeB thickness, from 7 to 10 angstrom, providing high tunneling magnetoresistance (TMR) readout and efficient spin-transfer torque (STT) writing. We then show that high DMI materials, like Pt/Co, can be integrated into an MTJ stack via interlayer exchange coupling with the CoFeB free layer. In this design, DMI values suitable for SOT-driven DW motion are measured by asymmetric bubble expansion. Finally, we demonstrate that He+ irradiation reliably converts the coupled free layers from PMA to IP. These findings offer a path toward the integration of fully electrically controlled DW logic circuits.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001163573400005 Publication Date 2024-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:203823 Serial 9109  
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Author Van Echelpoel, R.; De Wael, K. doi  openurl
  Title Voltammetric drug testing makes sense at the border Type A1 Journal article
  Year 2024 Publication Nature Reviews Chemistry Abbreviated Journal  
  Volume Issue Pages 1-2  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract The European BorderSens project leverages voltammetric sensors, developed with end-users' input, to rapidly and accurately detect illicit drugs. By embracing practicalities and validation, this technology has the potential to combat the illicit drug problem.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001142000900001 Publication Date 2024-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2397-3358 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:202646 Serial 9112  
Permanent link to this record
 

 
Author Verbeelen, T.; Fernandez, C.A.; Nguyen, T.H.; Gupta, S.; Aarts, R.; Tabury, K.; Leroy, B.; Wattiez, R.; Vlaeminck, S.E.; Leys, N.; Ganigué, R.; Mastroleo, F. url  doi
openurl 
  Title Whole transcriptome analysis highlights nutrient limitation of nitrogen cycle bacteria in simulated microgravity Type A1 Journal article
  Year 2024 Publication NPJ microgravity Abbreviated Journal  
  Volume 10 Issue 1 Pages 3-19  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Regenerative life support systems (RLSS) will play a vital role in achieving self-sufficiency during long-distance space travel. Urine conversion into a liquid nitrate-based fertilizer is a key process in most RLSS. This study describes the effects of simulated microgravity (SMG) on Comamonas testosteroni, Nitrosomonas europaea, Nitrobacter winogradskyi and a tripartite culture of the three, in the context of nitrogen recovery for the Micro-Ecological Life Support System Alternative (MELiSSA). Rotary cell culture systems (RCCS) and random positioning machines (RPM) were used as SMG analogues. The transcriptional responses of the cultures were elucidated. For CO2-producing C. testosteroni and the tripartite culture, a PermaLifeTM PL-70 cell culture bag mounted on an in-house 3D-printed holder was applied to eliminate air bubble formation during SMG cultivation. Gene expression changes indicated that the fluid dynamics in SMG caused nutrient and O2 limitation. Genes involved in urea hydrolysis and nitrification were minimally affected, while denitrification-related gene expression was increased. The findings highlight potential challenges for nitrogen recovery in space.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001140007100001 Publication Date 2024-01-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2373-8065 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:202285 Serial 9113  
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. url  doi
openurl 
  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 Times cited Open Access  
  Notes Approved (up) 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. url  doi
openurl 
  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 Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:204924 Serial 9136  
Permanent link to this record
 

 
Author Ahmadi Eshtehardi, H. url  doi
openurl 
  Title Combined computational-experimental study on plasma and plasma catalysis for N2 fixation Type Doctoral thesis
  Year 2024 Publication Abbreviated Journal  
  Volume Issue Pages 160 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Humanity feels the urge of shifting to a sustainable society more than at any other time in its history. Electrification of chemical industry plays a key role in this transition. The possibility of producing fertilizers from air using renewable electricity, and simultaneously, no greenhouse gas emission, resulted in an increasing interest toward plasma technology as a solution for electrification of a part of the chemical industry in the past few years. Additionally, the activation of nitrogen molecules by vibrational and electronic excitation reactions in plasma can lead to an energy-efficient process. Last but not least, the modularity (fast on/off characteristic) of plasma technology makes it capable of using intermittent renewable electricity on site for the production of fertilizers using air. All these advantages offered by plasma technology make it a potential solution for the on-site production of fertilizers in small and decentralized plants using air and renewable electricity, which leads to a considerable reduction in fertilizer production and transportation costs. However, industrialization of plasma-based NF suffers from several challenges, including challenges of plasma catalysis for the selective production of desired species, the high energy cost of plasma-based NF compared to current industrial processes, and the design and development of scaled up and energy-efficient plasma reactors for industrial purposes. In the framework of this thesis we have tried to add to the state-of-the-art (SOTA) in plasma-based NOx production and deal with its limitations using a combination of experimental and modelling work.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2024-06-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205246 Serial 9139  
Permanent link to this record
 

 
Author Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S. doi  openurl
  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 Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205843 Serial 9143  
Permanent link to this record
 

 
Author De Luca, F.; Abate, S.; Bogaerts, A.; Centi, G. url  openurl
  Title Electrified CO2 conversion : integrating experimental, computational, and process simulation methods for sustainable chemical synthesis Type Doctoral thesis
  Year 2024 Publication Abbreviated Journal  
  Volume Issue Pages xv, 152 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Nowadays, the burning of fossil fuels, particularly petroleum, natural gas, and coal, meets the rising need for power and fuels for automobiles and industries. This has given rise to ecological and climate challenges. This thesis explores these issues from three distinct perspectives: (i) experimental, (ii) computational, and (iii) process simulation, with a focus on studying CO2 as an alternative and economically viable raw material. Firstly, the experimental study is focused on the synthesis, characterization, and testing of novel catalysts for electroreduction of CO2 and oxalic acid, an intermediate product of CO2. Electrocatalysts based on Cu supported by citrus (orange and lemon) peel biomass are prepared. These catalysts exhibit activity in the electrochemical reduction of CO2, emphasizing the effectiveness of biomasses, particularly orange peels, as environmentally friendly precursors for sustainable and efficient electrocatalysts. In addition, graphitic carbon nitrides/TiO2 nanotubes (g-C3N4/TiNT) composites are prepared for the electrocatalytic reduction of oxalic acid to glycolic acid, revealing superior electrocatalytic properties compared to pristine TiNT. Characterization by X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electronic microscopy were performed for all the prepared electrocatalysts. Delving into the reduction of CO2 on Cu catalysts, a computational study about the synthesis of methanol on Cu(111) surface is performed by using the Vienna Ab initio Simulation Package. A systematic study is carried out to define the activation energies of the elementary reactions by using mGGA DF. Consequently, it is shown that the rate-controlling step is CH3O* hydrogenation and the formate pathway on Cu(111) proceeds through the HCOOH* intermediate. Finally, the process simulation, performed by using the software Aspen Plus 11 from AspenTech Inc., is based on the comparison of a catalytic (oxidation of ethylene glycol) and an electrocatalytic process (CO2 electroreduction chain) to synthesize glycolic acid. An economic analysis of the operational and investment costs reveals that the catalytic process is more cost-effective due to the current instability of electrocatalysts and proton exchange membranes, resulting in increased maintenance costs and, consequently, higher prices for the product.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved (up) Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205262 Serial 9147  
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