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Author Jorissen, B.; Covaci, L.; Partoens, B.
Title Comparative analysis of tight-binding models for transition metal dichalcogenides Type A1 Journal article
Year 2024 Publication SciPost physics core Abbreviated Journal
Volume 7 Issue 1 Pages 004-30
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001170769300001 Publication Date 2024-02-06
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 Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202983 Serial 9012
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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 Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B.
Title Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides Type A1 Journal article
Year 2023 Publication ACS applied electronic materials Abbreviated Journal
Volume 5 Issue 11 Pages 5852-5863
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001096792500001 Publication Date 2023-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2637-6113 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:201198 Serial 9026
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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
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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
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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
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Author Le Compte, M.; Cardenas De La Hoz, E.; Peeters, S.; Rodrigues Fortes, F.; Hermans, C.; Domen, A.; Smits, E.; Lardon, F.; Vandamme, T.; Lin, A.; Vanlanduit, S.; Roeyen, G.; van Laere, S.; Prenen, H.; Peeters, M.; Deben, C.
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
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Author Zaripov, A.A.; Khalilov, U.B.; Ashurov, K.B.
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 (down) Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202754 Serial 9102
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Author Vermeulen, B.B.; Raymenants, E.; Pham, V.T.; Pizzini, S.; Sorée, B.; Wostyn, K.; Couet, S.; Nguyen, V.D.; Temst, K.
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 (down) Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:203823 Serial 9109
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Author Van Echelpoel, R.; De Wael, K.
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 (down) Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202646 Serial 9112
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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.
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 (down) Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202285 Serial 9113
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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
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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 Wu, X.; Ding, J.; Cui, W.; Lin, W.; Xue, Z.; Yang, Z.; Liu, J.; Nie, X.; Zhu, W.; Van Tendeloo, G.; Sang, X.
Title Enhanced electrical properties of Bi2-xSbxTe3 nanoflake thin films through interface engineering Type A1 Journal article
Year 2024 Publication Energy & environment materials Abbreviated Journal
Volume Issue Pages e12755-8
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The structure-property relationship at interfaces is difficult to probe for thermoelectric materials with a complex interfacial microstructure. Designing thermoelectric materials with a simple, structurally-uniform interface provides a facile way to understand how these interfaces influence the transport properties. Here, we synthesized Bi2-xSbxTe3 (x = 0, 0.1, 0.2, 0.4) nanoflakes using a hydrothermal method, and prepared Bi2-xSbxTe3 thin films with predominantly (0001) interfaces by stacking the nanoflakes through spin coating. The influence of the annealing temperature and Sb content on the (0001) interface structure was systematically investigated at atomic scale using aberration-corrected scanning transmission electron microscopy. Annealing and Sb doping facilitate atom diffusion and migration between adjacent nanoflakes along the (0001) interface. As such it enhances interfacial connectivity and improves the electrical transport properties. Interfac reactions create new interfaces that increase the scattering and the Seebeck coefficient. Due to the simultaneous optimization of electrical conductivity and Seebeck coefficient, the maximum power factor of the Bi1.8Sb0.2Te3 nanoflake films reaches 1.72 mW m(-1) K-2, which is 43% higher than that of a pure Bi2Te3 thin film.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001204495900001 Publication Date 2024-04-18
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 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:205438 Serial 9148
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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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Author Long, Y.; Wang, X.; Zhang, H.; Wang, K.; Ong, W.-L.; Bogaerts, A.; Li, K.; Lu, C.; Li, X.; Yan, J.; Tu, X.; Zhang, H.
Title Plasma chemical looping : unlocking high-efficiency CO₂ conversion to clean CO at mild temperatures Type A1 Journal article
Year 2024 Publication JACS Au Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We propose a plasma chemical looping CO2 splitting (PCLCS) approach that enables highly efficient CO2 conversion into O-2-free CO at mild temperatures. PCLCS achieves an impressive 84% CO2 conversion and a 1.3 mmol g(-1) CO yield, with no O-2 detected. Crucially, this strategy significantly lowers the temperature required for conventional chemical looping processes from 650 to 1000 degrees C to only 320 degrees C, demonstrating a robust synergy between plasma and the Ce0.7Zr0.3O2 oxygen carrier (OC). Systematic experiments and density functional theory (DFT) calculations unveil the pivotal role of plasma in activating and partially decomposing CO2, yielding a mixture of CO, O-2/O, and electronically/vibrationally excited CO2*. Notably, these excited CO2* species then efficiently decompose over the oxygen vacancies of the OCs, with a substantially reduced activation barrier (0.86 eV) compared to ground-state CO2 (1.63 eV), contributing to the synergy. This work offers a promising and energy-efficient pathway for producing O-2-free CO from inert CO2 through the tailored interplay of plasma and OCs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001225139200001 Publication Date 2024-05-08
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:205970 Serial 9166
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Author Brognara, A.; Kashiwar, A.; Jung, C.; Zhang, X.; Ahmadian, A.; Gauquelin, N.; Verbeeck, J.; Djemia, P.; Faurie, D.; Dehm, G.; Idrissi, H.; Best, J.P.; Ghidelli, M.
Title Tailoring mechanical properties and shear band propagation in ZrCu metallic glass nanolaminates through chemical heterogeneities and interface density Type A1 Journal article
Year 2024 Publication Small Structures Abbreviated Journal
Volume Issue Pages 2400011-11
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The design of high‐performance structural thin films consistently seeks to achieve a delicate equilibrium by balancing outstanding mechanical properties like yield strength, ductility, and substrate adhesion, which are often mutually exclusive. Metallic glasses (MGs) with their amorphous structure have superior strength, but usually poor ductility with catastrophic failure induced by shear bands (SBs) formation. Herein, we introduce an innovative approach by synthesizing MGs characterized by large and tunable mechanical properties, pioneering a nanoengineering design based on the control of nanoscale chemical/structural heterogeneities. This is realized through a simplified model Zr 24 Cu 76 /Zr 61 Cu 39 , fully amorphous nanocomposite with controlled nanoscale periodicity ( Λ , from 400 down to 5 nm), local chemistry, and glass–glass interfaces, while focusing in‐depth on the SB nucleation/propagation processes. The nanolaminates enable a fine control of the mechanical properties, and an onset of crack formation/percolation (>1.9 and 3.3%, respectively) far above the monolithic counterparts. Moreover, we show that SB propagation induces large chemical intermixing, enabling a brittle‐to‐ductile transition when Λ  ≤ 50 nm, reaching remarkably large plastic deformation of 16% in compression and yield strength ≈2 GPa. Overall, the nanoengineered control of local heterogeneities leads to ultimate and tunable mechanical properties opening up a new approach for strong and ductile materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2024-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2688-4062 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:205798 Serial 9176
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Author O'Modhrain, C.; Trenchev, G.; Gorbanev, Y.; Bogaerts, A.
Title Upscaling plasma-based CO₂ conversion : case study of a multi-reactor gliding arc plasmatron Type A1 Journal article
Year 2024 Publication ACS Engineering Au Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Atmospheric pressure plasmas have shifted in recent years from being a burgeoning research field in the academic setting to an actively investigated technology in the chemical, oil, and environmental industries. This is largely driven by the climate change mitigation efforts, as well as the evident pathways of value creation by converting greenhouse gases (such as CO2) into useful chemical feedstock. Currently, most high technology readiness level (TRL) plasma-based technologies are based on volumetric and power-based scaling of thermal plasma systems, which results in large capital investment and regular maintenance costs. This work investigates bringing a quasi-thermal (so-called “warm”) plasma setup, namely, a gliding arc plasmatron, from a lab-scale to a pilot-scale capacity with an increase in throughput capacity by a factor of 10. The method of scaling is the parallelization of plasmatron reactors within a single housing, with the aim of maintaining a warm plasma regime while simultaneously improving build cost and efficiency (compared to separate reactors operating in parallel). Special attention is also given to the safety and control features implemented in the setup, a key component required for integration into industrial systems. The performance of the multi-reactor gliding arc plasmatron (MRGAP) reactor is investigated, focusing on the influence of flow rate and the number of active reactors. The location of active reactors was deemed to have a negligible effect on the monitored metrics of conversion, energy efficiency, and energy cost. The optimum operating conditions were found to be with the most active reactors (five) at the highest investigated flow rate (80 L/min). Analysis of results suggests that an optimum conversion (9%) and plug power-based energy efficiency (19%) can be maintained at a specific energy input (SEI) around 5.3 kJ/L (or 1 eV/molecule). The concept of parallelization of plasmatron reactors within a singular housing was demonstrated to be a viable method for scaling up from a lab-scale to a prototype-scale device, with performance analysis suggesting that increasing the power (through adding more reactor channels) and total flow rate, while maintaining an SEI around 5.3 or 4.2 kJ/L, i.e., 1.3 or 1 eV/molecule (based on plug power and plasma-deposited power, respectively), can result in increased conversion rate without sacrificing absolute conversion or energy efficiency.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001166625200001 Publication Date 2024-02-14
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 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:204749 Serial 9182
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Author Ducatteeuw, V.; Biltereyst, D.; Meers, P.; Verbruggen, C.; Moreels, D.; Noordegraaf, J.; Chambers, S.; De Potter, P.; Cachet, T.; Franck, N.; Deroo, F.
Title Critical reflections on Cinema Belgica : the database for New Cinema History in Belgium Type A1 Journal article
Year 2023 Publication Journal of open humanities data Abbreviated Journal
Volume 9 Issue Pages 1-16
Keywords A1 Journal article; Mass communications; Art; History; Visual and Digital Cultures Research Center (ViDi)
Abstract New Cinema History broadened film studies by emphasising the complexity of cinema as a multifaceted phenomenon that includes the socio-economic context in which films were made, circulated, shown and received. As part of the digital turn, the discipline adopted computational methods and created quantitative research data to research this socio-economic context at scale. However, not all datasets created in this context adhere to FAIR principles, decreasing their reusability. By reconciling 14 cinema-related datasets, Cinema Belgica facilitates research into the history of Belgian cinema. This research paper documents and critically reflects on the choices made when selecting, modelling and reconciling information for the Cinema Belgica database.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-01-13
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:193303 Serial 9196
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Author Mazhar, R.; Azadi, H.; Van Passel, S.; Varnik, R.; Pietrzykowski, M.; Skominas, R.; Wei, Z.; Xuehao, B.
Title Does contract length matter? The impact of various contract-farming regimes on land-improvement investment and the efficiency of contract farmers in Pakistan Type A1 Journal article
Year 2023 Publication Agriculture (Basel) Abbreviated Journal
Volume 13 Issue 9 Pages 1651-16
Keywords A1 Journal article; Engineering Management (ENM)
Abstract Land-tenure security is integral to local communities' socioeconomic development. It has been a center of debate in academia and for legislators and advocates to implement reforms to enhance efficient and sustainable development in land management. Yet, knowledge gaps remain in how various contract-farming regimes contribute to land-improvement investment and technical efficiency. This study used a data set of 650 farm households collected through a two-stage stratified sampling to investigate the influence of three contract-farming regimes: long-term, medium-term, and short-term contracts, on the land-improvement investment, productivity, and technical efficiency of contract farmers in Punjab, Pakistan. The study used multivariate probit and ordinary least square regression models to examine the posit relationships. The findings highlight that farmers with long-term land contracts have higher per hectare yield, income and profit than those with medium-term and short-term contracts. The results confirm that farmers with medium- and long-term contracts tend to invest more in land-improvement measures, i.e., organic and green manure. Further, the study findings demonstrate that long-term land tenures are more effective when farmers make decisions regarding the on-farm infrastructure, like tube-well installation, tractor ownership, and holding farm logistics. Last, the study results confirm that long-term contracts are more robust regarding technical efficiency. Moreover, the findings support the Marshallian inefficiency hypothesis and extend the literature on contract farming, land-improvement investment, and land use policy, and offer coherent policy actions for stakeholders to improve farmers' productivity, technical efficiency, and income.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001071045300001 Publication Date 2023-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2077-0472 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:200373 Serial 9201
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Author Smets, B.; Boschker, H.T.S.; Wetherington, M.T.; Lelong, G.; Hidalgo-Martinez, S.; Polerecky, L.; Nuyts, G.; De Wael, K.; Meysman, F.J.R.
Title Multi-wavelength Raman microscopy of nickel-based electron transport in cable bacteria Type A1 Journal article
Year 2024 Publication Frontiers in microbiology Abbreviated Journal
Volume 15 Issue Pages 1208033-16
Keywords A1 Journal article
Abstract Cable bacteria embed a network of conductive protein fibers in their cell envelope that efficiently guides electron transport over distances spanning up to several centimeters. This form of long-distance electron transport is unique in biology and is mediated by a metalloprotein with a sulfur-coordinated nickel (Ni) cofactor. However, the molecular structure of this cofactor remains presently unknown. Here, we applied multi-wavelength Raman microscopy to identify cell compounds linked to the unique cable bacterium physiology, combined with stable isotope labeling, and orientation-dependent and ultralow-frequency Raman microscopy to gain insight into the structure and organization of this novel Ni-cofactor. Raman spectra of native cable bacterium filaments reveal vibrational modes originating from cytochromes, polyphosphate granules, proteins, as well as the Ni-cofactor. After selective extraction of the conductive fiber network from the cell envelope, the Raman spectrum becomes simpler, and primarily retains vibrational modes associated with the Ni-cofactor. These Ni-cofactor modes exhibit intense Raman scattering as well as a strong orientation-dependent response. The signal intensity is particularly elevated when the polarization of incident laser light is parallel to the direction of the conductive fibers. This orientation dependence allows to selectively identify the modes that are associated with the Ni-cofactor. We identified 13 such modes, some of which display strong Raman signals across the entire range of applied wavelengths (405–1,064 nm). Assignment of vibrational modes, supported by stable isotope labeling, suggest that the structure of the Ni-cofactor shares a resemblance with that of nickel bis(1,2-dithiolene) complexes. Overall, our results indicate that cable bacteria have evolved a unique cofactor structure that does not resemble any of the known Ni-cofactors in biology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001189511900001 Publication Date 2024-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1664-302x 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:205115 Serial 9214
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Author Okamura, I.; Van Passel, S.; Fabri, C.; Senda, T.
Title A Ricardian analysis of climate change impacts on Japan's agriculture : accounting for solar radiation Type A1 Journal article
Year 2023 Publication Climate change economics Abbreviated Journal
Volume 14 Issue 4 Pages 2350022-2350025
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This study evaluates the effects of climate change on the net revenue of farmers in Japan. We adopted the Ricardian model, which implicitly accounts for farmers’ full adaptation. The main findings of this study are as follows. First, the Ricardian regression shows that changes in temperature significantly impact farmers’ net revenue. In contrast, changes in precipitation have limited effects on farmers’ net revenue. The results of future predictions showed that the effects of climate change are positive across the country, with varying degrees between north and south. These results are more optimistic than those in the existing literature, which frequently reveal negative climate change impacts in southern Japan. However, it should be noted that this model assumes full adaptation and does not consider the transition costs of farmers, and understanding the actual adaptive measures is an important remaining issue.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001075308800001 Publication Date 2023-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2010-0086 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:199659 Serial 9223
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Author Kummamuru, N.B.; Ciocarlan, R.-G.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Verbruggen, S.W.; Cool, P.; Perreault, P.
Title Surface modification of mesostructured cellular foam to enhance hydrogen storage in binary THF/H₂ clathrate hydrate Type A1 Journal article
Year 2024 Publication Sustainable energy & fuels Abbreviated Journal
Volume Issue Pages 1-15
Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA)
Abstract This study introduces solid-state tuning of a mesostructured cellular foam (MCF) to enhance hydrogen (H-2) storage in clathrate hydrates. Grafting of promoter-like molecules (e.g., tetrahydrofuran) at the internal surface of the MCF resulted in a substantial improvement in the kinetics of formation of binary H-2-THF clathrate hydrate. Identification of the confined hydrate as sII clathrate hydrate and enclathration of H-2 in its small cages was performed using XRD and high-pressure H-1 NMR spectroscopy respectively. Experimental findings show that modified MCF materials exhibit a similar to 1.3 times higher H-2 storage capacity as compared to non-modified MCF under the same conditions (7 MPa, 265 K, 100% pore volume saturation with a 5.56 mol% THF solution). The enhancement in H-2 storage is attributed to the hydrophobicity originating from grafting organic molecules onto pristine MCF, thereby influencing water interactions and fostering an environment conducive to H-2 enclathration. Gas uptake curves indicate an optimal tuning point for higher H-2 storage, favoring a lower density of carbon per nm(2). Furthermore, a direct correlation emerges between higher driving forces and increased H-2 storage capacity, culminating at 0.52 wt% (46.77 mmoles of H-2 per mole of H2O and 39.78% water-to-hydrate conversions) at 262 K for the modified MCF material with fewer carbons per nm(2). Notably, the substantial H-2 storage capacity achieved without energy-intensive processes underscores solid-state tuning's potential for H-2 storage in the synthesized hydrates. This study evaluated two distinct kinetic models to describe hydrate growth in MCF. The multistage kinetic model showed better predictive capabilities for experimental data and maintained a low average absolute deviation. This research provides valuable insights into augmenting H-2 storage capabilities and holds promising implications for future advancements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001208396000001 Publication Date 2024-04-15
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:205764 Serial 9232
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Author Vanden Abeele, M.M.P.; Vandebosch, H.; Koster, E.H.W.; De Leyn, T.; Van Gaeveren, K.; de Segovia Vicente, D.; Van Bruyssel, S.; van Timmeren, T.; De Marez, L.; Poels, K.; DeSmet, A.; De Wever, B.; Verbruggen, M.; Baillien, E.
Title Why, how, when, and for whom does digital disconnection work? A process-based framework of digital disconnection Type A1 Journal article
Year 2024 Publication Communication theory Abbreviated Journal
Volume 34 Issue 1 Pages 3-17
Keywords A1 Journal article; Mass communications; Media, ICT and interpersonal relations in Organisations and Society (MIOS)
Abstract Digital disconnection has emerged as a concept describing the actions people take to limit their digital connectivity to enhance their well-being. To date, evidence on its effectiveness is mixed, leading to calls for greater consideration of why, how, when, and for whom digital disconnection works. This article responds to these calls, presenting a framework that differentiates four key harms that contribute to experiences of digital ill-being (time displacement, interference, role blurring, and exposure effects). Using these four harms as a starting point, the framework explains: (1) why people are motivated to digitally disconnect; (2) how specific disconnection strategies (i.e., placing limits on time, access, channels, and contents, interactions and features) may help them; and for whom (3) and under which conditions (when) these strategies can be effective.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001154547700001 Publication Date 2024-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1050-3293; 1468-2885 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:203874 Serial 9245
Permanent link to this record