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| Author | Borah, R.; Kumar, A.; Samantaray, M.; Desai, A.; Tseng, F.-G. | ||||
| Title | Photothermal heating of Au nanorods and nanospheres : temperature characteristics and strength of convective forces | Type | A1 Journal article | ||
| Year | 2023 | Publication | Plasmonics | Abbreviated Journal | |
| Volume | 18 | Issue | 4 | Pages | 1449-1465 |
Keywords  |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The nanoscale photothermal effect and the optofluidic convection around plasmonic nanoparticles drive the application of such nanoparticles in micro-environment. In this work, heat transfer and fluid flow around Au nanospheres and nanorods in water medium under continuous and pulsed wave laser irradiance was investigated using an FEM based numerical framework. Au nanospheres of a wide range of diameter: 40 nm = Diameter (D) = 180 nm and relatively large nanorods (diameter: 50 nm) with varying aspect ratio (1 = Aspect ratio (A) = 5) and orientation (0 degrees = ? = 90 degrees, ? = 0 degrees, 90 degrees) with respect to the incident EM radiation were investigated for continuous wave (CW) and pulsed wave laser. It was found that although nanorods can attain much higher temperature than nanospheres, orientation of a nanorod is an important factor to be carefully considered in applications. In micro-scale spherical and hemispherical confinements (diameter < 14.4 p.m), the convective velocity fields around nanoparticles is in the order of 10-9 m/s, with only a weak effect of the slip or no-slip boundary condition on the confining walls. Importantly, the size of the confinement has a strong effect leading to an order of magnitude stronger convection for 14.4 p.m (diameter) spherical confinement as compared to 3.6 p.m confinement. Additionally close proximity of the nanoparticles to the confining walls strongly reduces (by an order of magnitude) the convective currents. The results reported herein provides important insights for the use of photothermal nanoparticles in microscale confined space (e.g. cellular environment) for applications such as optical tweezers, photoporation, etc. | ||||
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| Language | Wos | 000985445100001 | Publication Date | 2023-05-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1557-1955; 1557-1963 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 3; 2023 IF: 2.139 | |||
| Call Number | UA @ admin @ c:irua:197380 | Serial | 8914 | ||
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| Author | De Micco, V.; Amitrano, C.; Mastroleo, F.; Aronne, G.; Battistelli, A.; Carnero-Diaz, E.; De Pascale, S.; Detrell, G.; Dussap, C.-G.; Ganigué, R.; Jakobsen, Ø.M.; Poulet, L.; Van Houdt, R.; Verseux, C.; Vlaeminck, S.E.; Willaert, R.; Leys, N. | ||||
| Title | Plant and microbial science and technology as cornerstones to Bioregenerative Life Support Systems in space | Type | A1 Journal article | ||
| Year | 2023 | Publication | NPJ microgravity | Abbreviated Journal | |
| Volume | 9 | Issue | 1 | Pages | 69-12 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Long-term human space exploration missions require environmental control and closed Life Support Systems (LSS) capable of producing and recycling resources, thus fulfilling all the essential metabolic needs for human survival in harsh space environments, both during travel and on orbital/planetary stations. This will become increasingly necessary as missions reach farther away from Earth, thereby limiting the technical and economic feasibility of resupplying resources from Earth. Further incorporation of biological elements into state-of-the-art (mostly abiotic) LSS, leading to bioregenerative LSS (BLSS), is needed for additional resource recovery, food production, and waste treatment solutions, and to enable more self-sustainable missions to the Moon and Mars. There is a whole suite of functions crucial to sustain human presence in Low Earth Orbit (LEO) and successful settlement on Moon or Mars such as environmental control, air regeneration, waste management, water supply, food production, cabin/habitat pressurization, radiation protection, energy supply, and means for transportation, communication, and recreation. In this paper, we focus on air, water and food production, and waste management, and address some aspects of radiation protection and recreation. We briefly discuss existing knowledge, highlight open gaps, and propose possible future experiments in the short-, medium-, and long-term to achieve the targets of crewed space exploration also leading to possible benefits on Earth. | ||||
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| Language | Wos | 001093834300001 | Publication Date | 2023-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2373-8065 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:199050 | Serial | 8916 | ||
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| Author | Li, Q.; Niklas, K.J.J.; Niinemets, U.; Zhang, L.; Yu, K.; Gielis, J.; Gao, J.; Shi, P. | ||||
| Title | Stomatal shape described by a superellipse in four Magnoliaceae species | Type | A1 Journal article | ||
| Year | 2023 | Publication | Botany letters | Abbreviated Journal | |
| Volume | Issue | Pages | 1-9 | ||
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Stomata are essential for the exchange of water vapour and atmospheric gases between vascular plants and their external environments. The stomatal geometries of many plants appear to be elliptical. However, prior studies have not tested whether this is a mathematical reality, particularly since many natural shapes that appear to be ellipses are superellipses with greater or smaller edge curvature than predicted for an ellipse. Compared with the ellipse equation, the superellipse equation includes an additional parameter that allows generation of a larger range of shapes. We randomly selected 240 stomata from each of four Magnoliaceae species to test whether the stomatal geometries are superellipses or ellipses. The stomatal geometries for most stomata (943/960) were found to be described better using the superellipse equation. The traditional “elliptical stomata hypothesis” resulted in an underestimation of the area of stomata, whereas the superellipse equation accurately predicted stomatal area. This finding has important implications for the estimation of stomatal area in studies looking at stomatal shape, geometry, and function. | ||||
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| Language | Wos | 001024190300001 | Publication Date | 2023-07-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2381-8107; 2381-8115 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.5 | Times cited | Open Access | Not_Open_Access: Available from 12.01.2024 | |
| Notes | Approved | Most recent IF: 1.5; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:197847 | Serial | 8935 | ||
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| Author | Koch, K.; Wuyts, K.; Denys, S.; Samson, R. | ||||
| Title | The influence of plant species, leaf morphology, height and season on PM capture efficiency in living wall systems | Type | A1 Journal article | ||
| Year | 2023 | Publication | The science of the total environment | Abbreviated Journal | |
| Volume | 905 | Issue | Pages | 167808-167811 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Green infrastructure (GI) is already known to be a suitable way to enhance air quality in urban environments. Living wall systems (LWS) can be implemented in locations where other forms of GI, such as trees or hedges, are not suitable. However, much debate remains about the variables that influence their particulate matter (PM) accumulation efficiency. This study attempts to clarify which plant species are relatively the most efficient in capturing PM and which traits are decisive when it comes to the implementation of a LWS. We investigated 11 plant species commonly used on living walls, located close to train tracks and roads. PM accumulation on leaves was quantified by magnetic analysis (Saturation Isothermal Remanent Magnetization (SIRM)). Several leaf morphological variables that could potentially influence PM capture were assessed, as well as the Wall Leaf Area Index. A wide range in SIRM values (2.74–417 μA) was found between all species. Differences in SIRM could be attributed to one of the morphological parameters, namely SLA (specific leaf area). This suggest that by just assessing SLA, one can estimate the PM capture efficiency of a plant species, which is extremely interesting for urban greeners. Regarding temporal variation, some species accumulated PM over the growing season, while others actually decreased in PM levels. This decrease can be attributed to rapid leaf expansion and variations in meteorology. Correct assessment of leaf age is important here; we suggest individual labeling of leaves for further studies. Highest SIRM values were found close to ground level. This suggests that, when traffic is the main pollution source, it is most effective when LWS are applied at ground level. We conclude that LWS can act as local sinks for PM, provided that species are selected correctly and systems are applied according to the state of the art. | ||||
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| Language | Wos | Publication Date | 2023-10-13 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697; 1879-1026 | ISBN | Additional Links | UA library record | |
| Impact Factor | 9.8 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 9.8; 2023 IF: 4.9 | |||
| Call Number | UA @ admin @ c:irua:201033 | Serial | 9049 | ||
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| Author | Parchomenko, A.; De Smet, S.; Pals, E.; Vanderreydt, I.; Van Opstal, W. | ||||
| Title | The circular economy potential of reversible bonding in smartphones | Type | A1 Journal article | ||
| Year | 2023 | Publication | Sustainable Production and Consumption | Abbreviated Journal | |
| Volume | 41 | Issue | Pages | 362-378 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The increased use of adhesive bonding in manufacturing is an important barrier to implement circular economy strategies, including repair, refurbishment, and high-quality recycling. The circular economy potential of reversible adhesives that are debondable on demand, however, remains largely unexplored. In this paper we apply an integrated technology-agnostic framework to smartphones to identify and quantify the circular econ-omy potential of reversible bonding. In this framework we combine insights from Life Cycle Assessment, Life Cycle Costing, and Statistical Entropy Analysis. We find that reversible bonding of smartphones can be an enabler for circular strategies and have a considerable positive impact on preserving higher functionality on a product, component, and material level. The major added value of reversible bonding is its potential to replace and update parts, retaining the main environmental hotspot of a smartphone. Firms, however, will not likely switch to this technology, even though bonding and debonding make up only a small fraction of total lifecycle costs. Therefore, policy recommendations include mandatory policies on repairability and public procurement favouring the use of reversible bonding techniques. This would alter incentives in contexts where consumer preferences for lease markets cannot be taken for granted. The evaluation of different debonding scenarios from three distinct per-spectives provides a comprehensive, more reliable, and robust understanding of the trade-offs related to debonding and its potential contribution to the circular economy. | ||||
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| Language | Wos | 001078407500001 | Publication Date | 2023-09-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2352-5509 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 12.1 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 12.1; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:200307 | Serial | 9104 | ||
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| Author | Živanić, M.; Espona‐Noguera, A.; Verswyvel, H.; Smits, E.; Bogaerts, A.; Lin, A.; Canal, C. | ||||
| Title | Injectable Plasma‐Treated Alginate Hydrogel for Oxidative Stress Delivery to Induce Immunogenic Cell Death in Osteosarcoma | Type | A1 Journal article | ||
| Year | 2023 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Materials |
| Volume | Issue | Pages | |||
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE) | ||||
| Abstract | Cold atmospheric plasma (CAP) is a source of cell‐damaging oxidant molecules that may be used as low‐cost cancer treatment with minimal side effects. Liquids treated with cold plasma and enriched with oxidants are a modality for non‐invasive treatment of internal tumors with cold plasma via injection. However, liquids are easily diluted with body fluids which impedes high and localized delivery of oxidants to the target. As an alternative, plasma‐treated hydrogels (PTH) emerge as vehicles for the precise delivery of oxidants. This study reports an optimal protocol for the preparation of injectable alginate PTH that ensures the preservation of plasma‐generated oxidants. The generation, storage, and release of oxidants from the PTH are assessed. The efficacy of the alginate PTH in cancer treatment is demonstrated in the context of cancer cell cytotoxicity and immunogenicity–release of danger signals and phagocytosis by immature dendritic cells, up to now unexplored for PTH. These are shown in osteosarcoma, a hard‐to‐treat cancer. The study aims to consolidate PTH as a novel cold plasma treatment modality for non‐invasive or postoperative tumor treatment. The results offer a rationale for further exploration of alginate‐based PTHs as a versatile platform in biomedical engineering. | ||||
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| Language | Wos | 001129424500001 | Publication Date | 2023-12-21 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 19 | Times cited | Open Access | ||
| Notes | Fonds Wetenschappelijk Onderzoek, 1S67621N ; European Cooperation in Science and Technology, COST Action CA20114 ; Agència de Gestió d'Ajuts Universitaris i de Recerca, SGR2022‐1368 ; Agencia Estatal de Investigación, PID2019‐ 103892RB‐I00/AEI/10.13039/501100011033 ; Instituto de Salud Carlos III, IHRC22/00003 ; | Approved | Most recent IF: 19; 2023 IF: 12.124 | ||
| Call Number | PLASMANT @ plasmant @c:irua:202030 | Serial | 8979 | ||
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| Author | Cassimon, J.; Kovács, A.; Neyts, E.; Cornet, I.; Billen, P. | ||||
| Title | Deacetylation of mannosylerythritol lipids in hydrophobic natural deep eutectic solvents | Type | A1 Journal article | ||
| Year | 2023 | Publication | European journal of organic chemistry | Abbreviated Journal | |
| Volume | 27 | Issue | 5 | Pages | e202300934-10 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) | ||||
| Abstract | Mannosylerythritol lipids (MELs) are a promising group of biosurfactants due to their high fermentation yield, selfassembly and biological activity. During fermentation by Pseudozyma aphidis, a mixture of MELs with different levels of acylation is formed, of which the fully deacetylated form is the most valuable. In order to reduce the environmental impact of deacetylation, an enzymatic process using natural deep eutectic solvents (NADES) has been developed. We tested the deacetylation of a purified MELs mixture with immobilized Candida antarctica lipase B enzyme and 2-ethylhexanol as co-substrate in 140 h reactions with different NADES. We identified hydrophobic NADES systems with similar yields and kinetics as in pure 2-ethylhexanol solvent. Our results indicate that deacetylation of MELs mixtures in NADES as a solvent is possible with yields comparable to pure co-substrate and that hydrophobic NADES without carboxylic acid compounds facilitate the reaction to the greatest extent. | ||||
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| Language | Wos | Publication Date | 2023-12-12 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
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| ISSN | 1434-193x; 1099-0690 | ISBN | Additional Links | UA library record | |
| Impact Factor | 2.8 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 2.8; 2023 IF: 2.834 | |||
| Call Number | UA @ admin @ c:irua:201382 | Serial | 9017 | ||
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| Author | Andersen, Ja.; Holm, Mc.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad. | ||||
| Title | Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor: A combined experimental study and kinetic modeling | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal | |
| Volume | 457 | Issue | Pages | 141294 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma-catalytic ammonia synthesis in a dielectric barrier discharge reactor has emerged as a possible route for electrification of nitrogen fixation. In this study, we use a combination of experiments and a plasma kinetic model to investigate the ammonia synthesis from N2 and H2, both with and without a solid packing material in the plasma zone. The effect of plasma power, feed flow rate, N2:H2 feed ratio, gas residence time, temperature, and packing material (MgAl2O4 alone or impregnated with Co or Ru) on the ammonia synthesis rate were examined in the experiments. The kinetic model was employed to improve our understanding of the ammonia formation pathways and identify possible changes in these pathways when altering the N2:H2 feed ratio. A higher NH3 synthesis rate was achieved when increasing the feed flow rate, as well as when increasing the gas tem-perature from 100 to 200 ◦C when a packing material was present in the plasma. At the elevated temperature of 200 ◦C, an optimum in the NH3 synthesis rate was observed at an equimolar feed ratio (N2:H2 =1:1) for the plasma alone and MgAl2O4, while a N2-rich feed was favored for Ru/MgAl2O4 and Co/MgAl2O4. The optimum in the synthesis rate with the N2-rich feed, where high energy electrons are more likely to collide with N2, suggests that the rate-limiting step is the dissociation of N2 in the gas phase. This is supported by the kinetic model when packing material was used. However, for the plasma alone, the model found that the N2 dissociation is only rate limiting in H2-rich feeds, whereas the limited access to H in N2-rich feeds makes the hydrogenation of N species limiting. | ||||
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| Language | Wos | 001058978000001 | Publication Date | 2023-01-05 | |
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| ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 15.1 | Times cited | Open Access | OpenAccess | |
| Notes | We thank Topsoe A/S for providing the catalytic materials used in the study, the research group PLASMANT (University of Antwerp) for sharing their plasma kinetic model and allocating time on their cluster for the calculations, and the Department of Chemical and Biochemical Engineering (Technical University of Denmark) for funding the project. | Approved | Most recent IF: 15.1; 2023 IF: 6.216 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195877 | Serial | 7234 | ||
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| Author | Mercer, Er.; Van Alphen, S.; van Deursen, Cf.a.m.; Righart, Tw.h.; Bongers, Wa.; Snyders, R.; Bogaerts, A.; van de Sanden, Mc.m.; Peeters, Fj.j. | ||||
| Title | Post-plasma quenching to improve conversion and energy efficiency in a CO2 microwave plasma | Type | A1 Journal article | ||
| Year | 2023 | Publication | Fuel | Abbreviated Journal | |
| Volume | 334 | Issue | Pages | 126734 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Transforming CO2 into value-added chemicals is crucial to realizing a carbon–neutral economy, and plasma-based conversion, a Power-2-X technology, offers a promising route to realizing an efficient and scalable process. This paper investigates the effects of post-plasma placement of a converging–diverging nozzle in a vortex-stabilized 2.45 GHz CO2 microwave plasma reactor to increase energy efficiency and conversion. The CDN leads to a 21 % relative increase in energy efficiency (31 %) and CO2 conversion (13 %) at high flow rates and near-atmospheric conditions. The most significant performance improvement was seen at low flow rates and sub-atmospheric pressure (300 mbar), where energy efficiency was 23 % and conversion was 28 %, a 71 % relative increase over conditions without the CDN. Using CFD simulations, we found that the CDN produces a change in the flow geometry, leading to a confined temperature profile at the height of the plasma, and forced extraction of CO to the post-CDN region. | ||||
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| Language | Wos | 000891307400008 | Publication Date | 2022-11-26 | |
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| ISSN | 0016-2361 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.4 | Times cited | Open Access | OpenAccess | |
| Notes | This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No 810182 – SCOPE ERC Synergy project) and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. In addition, this work has been carried out as part of the Plasma Power to Gas research program with reference 15325, which is by the Netherlands Organization for Scientific Research (NWO) and Alliander N.V. | Approved | Most recent IF: 7.4; 2023 IF: 4.601 | ||
| Call Number | PLASMANT @ plasmant @c:irua:192784 | Serial | 7235 | ||
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| Author | Živanić, M.; Espona‐Noguera, A.; Lin, A.; Canal, C. | ||||
| Title | Current State of Cold Atmospheric Plasma and Cancer‐Immunity Cycle: Therapeutic Relevance and Overcoming Clinical Limitations Using Hydrogels | Type | A1 Journal article | ||
| Year | 2023 | Publication | Advanced Science | Abbreviated Journal | Adv Sci |
| Volume | Issue | Pages | 2205803 | ||
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Cold atmospheric plasma (CAP) is a partially ionized gas that gains attention as a well-tolerated cancer treatment that can enhance anti-tumor immune responses, which are important for durable therapeutic effects. This review offers a comprehensive and critical summary on the current understanding of mechanisms in which CAP can assist anti-tumor immunity: induction of immunogenic cell death, oxidative post-translational modifications of the tumor and its microenvironment, epigenetic regulation of aberrant gene expression, and enhancement of immune cell functions. This should provide a rationale for the effective and meaningful clinical implementation of CAP. As discussed here, despite its potential, CAP faces different clinical limitations associated with the current CAP treatment modalities: direct exposure of cancerous cells to plasma, and indirect treatment through injection of plasma-treated liquids in the tumor. To this end, a novel modality is proposed: plasma-treated hydrogels (PTHs) that can not only help overcome some of the clinical limitations but also offer a convenient platform for combining CAP with existing drugs to improve therapeutic responses and contribute to the clinical translation of CAP. Finally, by integrating expertise in biomaterials and plasma medicine, practical considerations and prospective for the development of PTHs are offered. |
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| Language | Wos | 000918224200001 | Publication Date | 2023-01-20 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2198-3844 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 15.1 | Times cited | Open Access | OpenAccess | |
| Notes | European Research Council, 714793 ; Fonds Wetenschappelijk Onderzoek, 12S9221N G044420N ; Ministerio de Economía y Competitividad, PID2019‐103892RB‐I00/AEI/10.13039/501100011033 ; | Approved | Most recent IF: 15.1; 2023 IF: 9.034 | ||
| Call Number | PLASMANT @ plasmant @c:irua:193166 | Serial | 7238 | ||
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| Author | Tsonev, I.; O’Modhrain, C.; Bogaerts, A.; Gorbanev, Y. | ||||
| Title | Nitrogen Fixation by an Arc Plasma at Elevated Pressure to Increase the Energy Efficiency and Production Rate of NOx | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1888-1897 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma-based nitrogen fixation for fertilizer production is an attractive alternative to the fossil fuel-based industrial processes. However, many factors hinder its applicability, e.g., the commonly observed inverse correlation between energy consumption and production rates or the necessity to enhance the selectivity toward NO2, the desired product for a more facile formation of nitrate-based fertilizers. In this work, we investigated the use of a rotating gliding arc plasma for nitrogen fixation at elevated pressures (up to 3 barg), at different feed gas flow rates and composition. Our results demonstrate a dramatic increase in the amount of NOx produced as a function of increasing pressure, with a record-low EC of 1.8 MJ/(mol N) while yielding a high production rate of 69 g/h and a high selectivity (94%) of NO2. We ascribe this improvement to the enhanced thermal Zeldovich mechanism and an increased rate of NO oxidation compared to the back reaction of NO with atomic oxygen, due to the elevated pressure. | ||||
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| Language | Wos | 000924366700001 | Publication Date | 2023-02-06 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, G0G2322N ; Horizon 2020 Framework Programme, 965546 ; | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:194281 | Serial | 7239 | ||
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| Author | Eshtehardi, H.A.; van 't Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. | ||||
| Title | Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1720-1733 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. | ||||
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| Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
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| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195377 | Serial | 7241 | ||
| Permanent link to this record | |||||
| Author | Han, I.; Song, I.S.; Choi, S.A.; Lee, T.; Yusupov, M.; Shaw, P.; Bogaerts, A.; Choi, E.H.; Ryu, J.J. | ||||
| Title | Bioactive Nonthermal Biocompatible Plasma Enhances Migration on Human Gingival Fibroblasts | Type | A1 Journal article | ||
| Year | 2023 | Publication | Advanced healthcare materials | Abbreviated Journal | |
| Volume | 12 | Issue | 4 | Pages | 2200527 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | This study hypothesizes that the application of low-dose nonthermal biocompatible dielectric barrier discharge plasma (DBD-NBP) to human gingival fibroblasts (HGFs) will inhibit colony formation but not cell death and induce matrix metalloproteinase (MMP) expression, extracellular matrix (ECM) degradation, and subsequent cell migration, which can result in enhanced wound healing. HGFs treated with plasma for 3 min migrate to each other across the gap faster than those in the control and 5-min treatment groups on days 1 and 3. The plasma-treated HGFs show significantly high expression levels of the cell cycle arrest-related p21 gene and enhanced MMP activity. Focal adhesion kinase (FAK) mediated attenuation of wound healing or actin cytoskeleton rearrangement, and plasma-mediated reversal of this attenuation support the migratory effect of DBD-NBP. Further, this work performs computer simulations to investigate the effect of oxidation on the stability and conformation of the catalytic kinase domain (KD) of FAK. It is found that the oxidation of highly reactive amino acids (AAs) Cys427, Met442, Cys559, Met571, Met617, and Met643 changes the conformation and increases the structural flexibility of the FAK protein and thus modulates its function and activity. Low-dose DBD-NBP-induces host cell cycle arrest, ECM breakdown, and subsequent migration, thus contributing to the enhanced wound healing process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000897762100001 | Publication Date | 2022-11-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2192-2640 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10 | Times cited | Open Access | OpenAccess | |
| Notes | National Research Foundation of Korea; Kementerian Pendidikan, 2020R1I1A1A01073071 2021R1A6A1A03038785 ; | Approved | Most recent IF: 10; 2023 IF: 5.11 | ||
| Call Number | PLASMANT @ plasmant @c:irua:192804 | Serial | 7242 | ||
| Permanent link to this record | |||||
| Author | Vervloessem, E.; Gromov, M.; De Geyter, N.; Bogaerts, A.; Gorbanev, Y.; Nikiforov, A. | ||||
| Title | NH3and HNOxFormation and Loss in Nitrogen Fixation from Air with Water Vapor by Nonequilibrium Plasma | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 10 | Pages | 4289-4298 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The current global energy crisis indicated that increasing our insight into nonfossil fuel nitrogen fixation pathways for synthetic fertilizer production is more crucial than ever. Nonequilibrium plasma is a good candidate because it can use N2 or air as a N source and water directly as a H source, instead of H2 or fossil fuel (CH4). In this work, we investigate NH3 gas phase formation pathways from humid N2 and especially humid air up to 2.4 mol % H2O (100% relative humidity at 20 °C) by optical emission spectroscopy and Fouriertransform infrared spectroscopy. We demonstrate that the nitrogen fixation capacity is increased when water vapor is added, as this enables HNO2 and NH3 production in both N2 and air. However, 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 rapidly decomposes into N2 and H2O. We also discuss approaches to prevent this loss mechanism, as it reduces the effective nitrogen fixation when not properly addressed and therefore should be considered in future works aimed at optimizing plasma-based N2 fixation. In-line removal of HNO2 or direct solvation in liquid are two proposed strategies to suppress this loss mechanism. Indeed, using liquid H2O is beneficial for accumulation of the N2 fixation products. Finally, in humid air, we also produce NH4NO3, from the reaction of HNO3 with NH3, which is of direct interest for fertilizer application. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000953337700001 | Publication Date | 2023-03-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | This research is supported by the Excellence of Science FWOFNRS project (NITROPLASM, FWO grant ID GoF9618n, EOS ID 30505023), the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant No. 810182 − SCOPE ERC Synergy project), and the Fund for Scientific Research (FWO) Flanders Bioeconomy project (grant No. G0G2322N), funded by the European Union-NextGenerationEU. | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195878 | Serial | 7254 | ||
| Permanent link to this record | |||||
| Author | Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. | ||||
| Title | Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1720-1733 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182 − SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195377 | Serial | 7257 | ||
| Permanent link to this record | |||||
| Author | Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. | ||||
| Title | Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1720-1733 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195377 | Serial | 7258 | ||
| Permanent link to this record | |||||
| Author | Bogaerts, A.; Centi, G.; Hessel, V.; Rebrov, E. | ||||
| Title | Challenges in unconventional catalysis | Type | A1 Journal article | ||
| Year | 2023 | Publication | Catalysis today | Abbreviated Journal | |
| Volume | 420 | Issue | Pages | 114180 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Catalysis science and technology increased efforts recently to progress beyond conventional “thermal” catalysis and face the challenges of net-zero emissions and electrification of production. Nevertheless, a better gaps and opportunities analysis is necessary. This review analyses four emerging areas of unconventional or less- conventional catalysis which share the common aspect of using directly renewable energy sources: (i) plasma catalysis, (ii) catalysis for flow chemistry and process intensification, (iii) application of electromagnetic (EM) fields to modulate catalytic activity and (iv) nanoscale generation at the catalyst interface of a strong local EM by plasmonic effect. Plasma catalysis has demonstrated synergistic effects, where the outcome is higher than the sum of both processes alone. Still, the underlying mechanisms are complex, and synergy is not always obtained. There is a crucial need for a better understanding to (i) design catalysts tailored to the plasma environment, (ii) design plasma reactors with optimal transport of plasma species to the catalyst surface, and (iii) tune the plasma conditions so they work in optimal synergy with the catalyst. Microfluidic reactors (flow chemistry) is another emerging sector leading to the intensification of catalytic syntheses, particularly in organic chemistry. New unconventional catalysts must be designed to exploit in full the novel possibilities. With a focus on (a) continuous-flow photocatalysis, (b) electrochemical flow catalysis, (c) microwave flow catalysis and (d) ultra sound flow activation, a series of examples are discussed, with also indications on scale-up and process indus trialisation. The third area discussed regards the effect on catalytic performances of applying oriented EM fields spanning several orders of magnitude. Under well-defined conditions, gas breakdown and, in some cases, plasma formation generates activated gas phase species. The EM field-driven chemical conversion processes depend further on structured electric/magnetic catalysts, which shape the EM field in strength and direction. Different effects influencing chemical conversion have been reported, including reduced activation energy, surface charging, hot spot generation, and selective local heating. The last topic discussed is complementary to the third, focusing on the possibility of tuning the photo- and electro-catalytic properties by creating a strong localised electrical field with a plasmonic effect. The novel possibilities of hot carriers generated by the plasmonic effect are also discussed. This review thus aims to stimulate the reader to make new, creative catalysis to address the challenges of reaching a carbon-neutral world. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001004623300001 | Publication Date | 2023-05-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0920-5861 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.3 | Times cited | Open Access | OpenAccess | |
| Notes | The EU ERC Synergy SCOPE project supported this work (project ID 810182) “ Surface-COnfined fast-modulated Plasma for process and Energy intensification in small molecules conversion”. This review thus aims to stimulate the reader to make new, creative catalysis to address the challenges of reaching a carbon-neutral world. | Approved | Most recent IF: 5.3; 2023 IF: 4.636 | ||
| Call Number | PLASMANT @ plasmant @c:irua:196446 | Serial | 7380 | ||
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| Author | Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. | ||||
| Title | Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics | Type | A1 Journal article | ||
| Year | 2023 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | |
| Volume | 127 | Issue | 11 | Pages | 5395-5407 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000971346700001 | Publication Date | 2023-03-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.7; 2023 IF: 4.536 | |||
| Call Number | UA @ admin @ c:irua:196071 | Serial | 8525 | ||
| Permanent link to this record | |||||
| Author | Salden, A.; Budde, M.; Garcia-Soto, C.A.; Biondo, O.; Barauna, J.; Faedda, M.; Musig, B.; Fromentin, C.; Nguyen-Quang, M.; Philpott, H.; Hasrack, G.; Aceto, D.; Cai, Y.; Jury, F.A.; Bogaerts, A.; Da Costa, P.; Engeln, R.; Galvez, M.E.; Gans, T.; Garcia, T.; Guerra, V.; Henriques, C.; Motak, M.; Navarro, M.V.; Parvulescu, V.I.; Van Rooij, G.; Samojeden, B.; Sobota, A.; Tosi, P.; Tu, X.; Guaitella, O. | ||||
| Title | Meta-analysis of CO₂ conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database | Type | A1 Journal article | ||
| Year | 2023 | Publication | Journal of energy chemistry | Abbreviated Journal | |
| Volume | 86 | Issue | Pages | 318-342 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/). | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001083545900001 | Publication Date | 2023-08-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2095-4956 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.1 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 13.1; 2023 IF: 2.594 | |||
| Call Number | UA @ admin @ c:irua:200416 | Serial | 9056 | ||
| Permanent link to this record | |||||
| Author | Ciocarlan, R.-G.; Blommaerts, N.; Lenaerts, S.; Cool, P.; Verbruggen, S.W. | ||||
| Title | Recent trends in plasmon‐assisted photocatalytic CO₂ reduction | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemsuschem | Abbreviated Journal | |
| Volume | 16 | Issue | 5 | Pages | e202201647-25 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Direct photocatalytic reduction of CO2 has become an highly active field of research. It is thus of utmost importance to maintain an overview of the various materials used to sustain this process, find common trends, and, in this way, eventually improve the current conversions and selectivities. In particular, CO2 photoreduction using plasmonic photocatalysts under solar light has gained tremendous attention, and a wide variety of materials has been developed to reduce CO2 towards more practical gases or liquid fuels (CH4, CO, CH3OH/CH3CH2OH) in this manner. This Review therefore aims at providing insights in current developments of photocatalysts consisting of only plasmonic nanoparticles and semiconductor materials. By classifying recent studies based on product selectivity, this Review aims to unravel common trends that can provide effective information on ways to improve the photoreduction yield or possible means to shift the selectivity towards desired products, thus generating new ideas for the way forward. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000926901300001 | Publication Date | 2023-01-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1864-5631 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 8.4; 2023 IF: 7.226 | |||
| Call Number | UA @ admin @ c:irua:193633 | Serial | 7335 | ||
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| Author | Kummamuru, N.B.; Watson, G.; Ciocarlan, R.-G.; Verbruggen, S.W.; Cool, P.; Van Der Voort, P.; Perreault, P. | ||||
| Title | Accelerated methane storage in clathrate hydrates using mesoporous (Organo-) silica materials | Type | A1 Journal article | ||
| Year | 2023 | Publication | Fuel | Abbreviated Journal | |
| Volume | 354 | Issue | Pages | 129403-129418 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Methane (CH4) clathrate hydrates have gained much attention in the ever-growing search for novel energy storage methods; however, they are currently limited due to their poor water-to-hydrate conversions and slow formation kinetics. To surmount these bottlenecks, significant research has been centered on the design of novel methods (porous media). In this vein, the present work explores two hydrophobic mesoporous solids, an alkyl-grafted mesoporous silica (SBA-15 C8) and a periodic mesoporous organosilica (Ring-PMO), in their ability to promote CH4 clathrates. Both materials have shown to facilitate CH4 clathrate formation at mild operating conditions (6 MPa and 269–276 K). The study revealed that the maximal CH4 storage capacities are strongly linked to the critical/optimal quantity of water in the system which was determined to be at 130% and 200% of the pore volume for SBA-15 C8 and Ring-PMO, respectively. Up to 90% and 95% of the maximum water-to-hydrate conversions were achieved in 90 min at the lowest experimental temperature and critical water content for SBA-15 C8 and Ring-PMO, respectively. At these conditions, SBA-15 C8 and Ring-PMO showed a maximum gas uptake of 98.2 and 101.2 mmol CH4/mol H2O, respectively. Both the materials exhibited no chemical or morphological changes post-clathrate formations (characterized using FT-IR, N2 sorption, XRD, and TEM), inferring their viability as clathrate promoters for multiple cycles. An integrated multistep model was considered adequate for representing the hydrate crystallization kinetics and fits well with the experimental kinetic data with a low average absolute deviation in water-to-hydrate conversions among the three distinct kinetic models analyzed. Overall, the results from this study demonstrate hydrophobic porous materials as effective promoters of CH4 clathrates, which could make clathrate-based CH4 storage and transport technology industrially viable. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001059413200001 | Publication Date | 2023-08-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0016-2361 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.4 | Times cited | Open Access | Not_Open_Access: Available from 07.02.2024 | |
| Notes | Approved | Most recent IF: 7.4; 2023 IF: 4.601 | |||
| Call Number | UA @ admin @ c:irua:197987 | Serial | 8829 | ||
| Permanent link to this record | |||||
| Author | Zhang, K.; Wang, J.; Ninakanti, R.; Verbruggen, S.W. | ||||
| Title | Solvothermal synthesis of mesoporous TiO2 with tunable surface area, crystal size and surface hydroxylation for efficient photocatalytic acetaldehyde degradation | Type | A1 Journal article | ||
| Year | 2023 | Publication | Chemical engineering journal | Abbreviated Journal | |
| Volume | 474 | Issue | Pages | 145188-14 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA) | ||||
| Abstract | Photocatalytic acetaldehyde degradation exhibits satisfactory performance only at relatively low acetaldehyde flow rates, predominately below 10 × 10-3 mL/min, leaving ample room for improvement. Therefore, it is necessary to prepare more efficient photocatalysts for acetaldehyde degradation. Moreover, the impact of the interaction strength between the titania surface and surface water on the photocatalytic acetaldehyde efficiency is poorly understood. To address these issues, in this work a series of (0 0 1)-faceted anatase titania samples with various surface properties and structures were synthesized via a solvothermal method and tested at high acetaldehyde flow rates under UV light irradiation. With increasing solvothermal time, the pore volume, surface area, and the abundance of surface OH groups all increased, while the crystallite size decreased. These were all identified to be beneficial to promote the degradation performance. When the solvothermal temperature was 180 ℃ and the reaction time was 5 h, the prepared sample displayed the most efficient performance at 19.25× 10-3 mL/min of acetaldehyde (conversion of (74 ± 1)% versus (29 ± 1)% for P25), and achieved a 100 % conversion at 16 × 10-3 mL/min. A weaker interaction strength between surface water and the titania surface was found to improve the acetaldehyde adsorption capacity, thereby promoting the acetaldehyde degradation efficiency. The stability of the best performing sample was tested over 48 h, demonstrating a highly stable performance with no signs of deactivation. Even at a relative humidity of 30 %, the acetaldehyde conversion retains 82% of its efficiency in a dry atmosphere, highlighting its potential in practical applications. | ||||
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| Language | Wos | 001144928800001 | Publication Date | 2023-08-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947; 1873-3212 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 15.1 | Times cited | Open Access | Not_Open_Access: Available from 06.02.2024 | |
| Notes | Approved | Most recent IF: 15.1; 2023 IF: 6.216 | |||
| Call Number | UA @ admin @ c:irua:198652 | Serial | 8933 | ||
| Permanent link to this record | |||||
| Author | Parrilla, M.; Vanhooydonck, A.; Johns, M.; Watts, R.; De Wael, K. | ||||
| Title | 3D-printed microneedle-based potentiometric sensor for pH monitoring in skin interstitial fluid | Type | A1 Journal article | ||
| Year | 2023 | Publication | Sensors and actuators : B : chemical | Abbreviated Journal | |
| Volume | 378 | Issue | Pages | 133159-10 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Product development; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Wearable electrochemical sensors are driven by the user-friendly capability of continuous monitoring of key biomarkers for diagnostic or therapeutic operations. Particularly, microneedle (MN)-based sensors can access the interstitial fluid (ISF) in the dermis layer of skin to carry out on-body transdermal detection of analytes. Interestingly, 3D-printing technology allows for rapid and versatile prototyping reaching micrometer resolution. Herein, for the first time, we explore 3D-printed hollow MN patches (1 mm height x 1 mm base with 0.3 mm hole) which are modified with conductive inks to develop a potentiometric sensor for pH monitoring. First, the piercing capability of 3D-printed MN patches is demonstrated by using the parafilm model and their insertion in porcine skin. Subsequently, the hollow MNs are filled with conductive inks to engineer a set of microelectrodes. Thereafter, the working and reference electrodes are properly modified with polyaniline and polyvinyl butyral, respectively, toward a highly stable potentiometric cell. A full in vitro characterization is performed within a broad range of pH (i.e. pH 4 to pH 9). Besides, the MN sensor is analytically assessed in phantom gel and pierced on porcine skin to evaluate the resilience of the MN sensor. Finally, the MN sensor is pierced on the forearm of a subject and tested for its on-body monitoring capability. Overall, 3D-printed MN-based potentiometric sensing brings a versatile and affordable technology to minimally-invasively monitor key physiological parameters in the body. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000904590500008 | Publication Date | 2022-12-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-4005 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:192381 | Serial | 8824 | ||
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| Author | Calogiuri, T.; Hagens, M.; Van Groenigen, J.W.; Corbett, T.; Hartmann, J.; Hendriksen, R.; Janssens, I.; Janssens, I.A.; Ledesma Dominguez, G.; Loescher, G.; Mortier, S.; Neubeck, A.; Niron, H.; Poetra, R.P.; Rieder, L.; Struyf, E.; Van Tendeloo, M.; De Schepper, T.; Verdonck, T.; Vlaeminck, S.E.; Vicca, S.; Vidal, A. | ||||
| Title | Design and construction of an experimental setup to enhance mineral weathering through the activity of soil organisms | Type | A1 Journal article | ||
| Year | 2023 | Publication | Journal of visualized experiments | Abbreviated Journal | |
| Volume | Issue | 201 | Pages | e65563-30 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Internet Data Lab (IDLab); Applied mathematics; Sustainable Energy, Air and Water Technology (DuEL); Plant and Ecosystems (PLECO) – Ecology in a time of change | ||||
| Abstract | Enhanced weathering (EW) is an emerging carbon dioxide (CO2) removal technology that can contribute to climate change mitigation. This technology relies on accelerating the natural process of mineral weathering in soils by manipulating the abiotic variables that govern this process, in particular mineral grain size and exposure to acids dissolved in water. EW mainly aims at reducing atmospheric CO2 concentrations by enhancing inorganic carbon sequestration. Until now, knowledge of EW has been mainly gained through experiments that focused on the abiotic variables known for stimulating mineral weathering, thereby neglecting the potential influence of biotic components. While bacteria, fungi, and earthworms are known to increase mineral weathering rates, the use of soil organisms in the context of EW remains underexplored. This protocol describes the design and construction of an experimental setup developed to enhance mineral weathering rates through soil organisms while concurrently controlling abiotic conditions. The setup is designed to maximize weathering rates while maintaining soil organisms' activity. It consists of a large number of columns filled with rock powder and organic material, located in a climate chamber and with water applied via a downflow irrigation system. Columns are placed above a fridge containing jerrycans to collect the leachate. Representative results demonstrate that this setup is suitable to ensure the activity of soil organisms and quantify their effect on inorganic carbon sequestration. Challenges remain in minimizing leachate losses, ensuring homogeneous ventilation through the climate chamber, and avoiding flooding of the columns. With this setup, an innovative and promising approach is proposed to enhance mineral weathering rates through the activity of soil biota and disentangle the effect of biotic and abiotic factors as drivers of EW. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001127854400015 | Publication Date | 2023-11-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1940-087x | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.2 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 1.2; 2023 IF: 1.232 | |||
| Call Number | UA @ admin @ c:irua:200770 | Serial | 9019 | ||
| Permanent link to this record | |||||
| Author | Sauve, G.; Esguerra, J.L.; Laner, D.; Johansson, J.; Svensson, N.; Van Passel, S.; Van Acker, K. | ||||
| Title | Integrated early-stage environmental and economic assessment of emerging technologies and its applicability to the case of plasma gasification | Type | A1 Journal article | ||
| Year | 2023 | Publication | Journal of cleaner production | Abbreviated Journal | |
| Volume | 382 | Issue | Pages | 134684-14 | |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | Economic and environmental impact assessments are increasingly being adopted in the design and implementation of emerging systems. However, their emerging nature leads to several assessment challenges that need to be addressed to ensure the validity and usefulness of results in understanding their potential performance and supporting their development. There is the need to (i) account for spatial and temporal variability to allow a broader perspective at an early stage of development; (ii) handle uncertainties to systematically identify the critical factors and their interrelations that drive the results; (iii) integrate environmental and economic results to support sound decision-making based on two sustainability aspects. To address these assessment challenges, this study presents an alternative approach with the following corresponding features: (i) multiple scenario development to conduct an exploratory assessment of the systems under varying conditions and settings, (ii) global sensitivity analysis to identify the main critical factors and their interrelations, and (iii) trade-off and ecoefficiency analysis to integrate the economic and environmental results. The integrated approach is applied to a case study on plasma gasification for solid waste management. The results of the study highlight how the approach allows the identification of the dynamic relations between project settings and surrounding conditions. For example, the choice of gasifying agent largely depends on the background energy system, which dictates the impacts of the process energy requirement and the savings from the substituted energy of the syngas output. Based on these findings, the usefulness and validity of the proposed integrated approach are discussed in terms of how the key assessment challenges are addressed and how it can provide guidance for the development of emerging systems. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000906664200001 | Publication Date | 2022-10-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0959-6526 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 11.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 11.1; 2023 IF: 5.715 | |||
| Call Number | UA @ admin @ c:irua:193464 | Serial | 7361 | ||
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| Author | Admasu, W.F.; Van Passel, S.; Minale, A.S.; Tsegaye, E.A.; Nyssen, J. | ||||
| Title | Nexus between land development and the value of ecosystem services in Ethiopia : a contingent valuation study | Type | A1 Journal article | ||
| Year | 2023 | Publication | Environment, development and sustainability | Abbreviated Journal | |
| Volume | Issue | Pages | 1-21 | ||
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | In Ethiopia, the state owns all lands within the territory of the country. Cities are incorporating large parcels of land from their surrounding rural agricultural areas through land expropriation. However, these land developments do not consider the nonmarket value of ecosystem services (ES), which is causing a deterioration of the existing ES and reduction on the potential supply of ES from agricultural land. The aim of this study was to estimate the monetary value of nonmarketable ES from the agricultural land using a double-bounded dichotomous choice contingent valuation method. A survey of 524 smallholder farmers was conducted. In the survey, respondents were asked to state their willingness to pay for the improvement of some of the nonmarketable ES: erosion control, air and climate regulation, water regulation, and soil fertility. The estimation was carried out using a bivariate probit model. The results revealed that farmers are willing to pay on average 276 ETB (7.9 USD) per hectare per year for a period of 10 years. We found that individual characteristics such as age, family size, and a recent land expropriation experience adversely affect the willingness to pay by the farmers. On the other hand, individuals with higher income and larger land size are willing to pay more. In general, the study indicated that the nonmarket ES, which are affected by the land expropriation for urban expansion, are valuable for the farmers. Therefore, we recommend that the government consider the value of nonmarketable ES in its land use decisions and hence achieve sustainable land development. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000907898700002 | Publication Date | 2023-01-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-585x; 1573-2975 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.9 | Times cited | Open Access | Not_Open_Access: Available from 05.01.2024 | |
| Notes | Approved | Most recent IF: 4.9; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:193432 | Serial | 7363 | ||
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| Author | Chekol Zewdie, M.; Moretti, M.; Tenessa, D.B.; Van Passel, S. | ||||
| Title | Farmers' preferences and willingness to pay for improved irrigation water supply program : a discrete choice experiment | Type | A1 Journal article | ||
| Year | 2023 | Publication | Environment, development and sustainability | Abbreviated Journal | |
| Volume | Issue | Pages | 1-24 | ||
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | This study examines smallholder farmers' preferences and willingness to pay for an improved irrigation water supply program in northwest Ethiopia. We employed a discrete choice experiment with five attributes and three levels. Data were collected from randomly selected sample households of both irrigation users and non-users. A total of 379 respondents participated, and a mixed logit model was used to analyze the household-level survey data. The result indicates that to deviate from the business-as-usual scenario, smallholder farmers are willing to pay between 3,228 and 8,327 Ethiopian Birr per hectare of irrigated land. Furthermore, the results showed a strong public preference for access to produce cash crops, followed by irrigation water availability in the dry season, and adequate access to improved farm inputs. The results also provide useful information for policymakers and suggested possibilities for generating finance from farmers to cover the operation and maintenance costs of irrigation schemes. Also, this study result reveals that irrigation development and expansion must be integrated into a comprehensive support package that combines irrigation water with access to improved farm inputs and access to produce cash crops on farmers' farm plots. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001048896000004 | Publication Date | 2023-08-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-585x; 1573-2975 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.9 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 4.9; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:198283 | Serial | 9204 | ||
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| Author | Gebremariam, Y.A.; Dessein, J.; Wondimagegnhu, B.A.; Breusers, M.; Lenaerts, L.; Adgo, E.; Van Passel, S.; Minale, A.S.; Nyssen, J. | ||||
| Title | Undoing the development army : a paradigm shift from transfer of technology to agricultural innovation system in Ethiopian extension | Type | A1 Journal article | ||
| Year | 2023 | Publication | Environment, development and sustainability | Abbreviated Journal | |
| Volume | Issue | Pages | 1-27 | ||
| Keywords |
A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | Appropriate use of agricultural technologies and diversifying the farming activities is critical to addressing food security problems in Africa, including Ethiopia. The country is experimenting with the new Agricultural Innovation System (AIS) approach alongside the well-established Transfer of Technology (ToT) approach. This paper analyzes the gaps between policy discourses (as reflected in policy documents and strategic orientation documents) and extension practices (as reflected in the daily exchanges between farmers and the frontline staff of the Ethiopian extension system). It provides insights into the challenges faced and emphasizes the need for better coordination between policy formulation and implementation to enhance extension services. Policymakers, practitioners, and researchers can benefit from the valuable perspectives the findings offer. The study contributes to understanding the relationship between policy discourses and extension practices, and its implications can inform policy design and implementation in similar contexts. A qualitative research approach was deployed to analyze policy discourse and practice. Data were collected in Fogera, a district in Northwest Ethiopia, between August 2018 and February 2019. The data for the paper were obtained from 23 Focus Group Discussions conducted with men and women. 13 Informant Interviews (KIIs) were also carried out with personnel at different levels of government agricultural services and departments. Transcripts of recordings of the Focus Group Discussions (FGDs) and Key Informant Interviews (KIIs) were analyzed using a deductive approach. The study focuses on rice crops in the Fogera district, which are crucial for food security and reducing poverty. Although the geographic area is limited, the results can be used to improve the extension system in other areas facing similar challenges. Specifically, the study suggests switching from the traditional transfer of technology approach to the agricultural innovation system approach. Furthermore, the study's techniques, such as qualitative interviews, may have limitations and not fully capture the intricacies of policy and extension practices. The findings demonstrate that, although the policy documents strongly adhere to agricultural innovation system principles, top-down transfer of technology approaches continues to dominate in practice. Moreover, we have found potential discrepancies between the training content delivered and the specific needs of smallholder farmers. Practically, prescriptive systems are still used because agricultural innovation system approaches are not well understood by the Extension Agents. To realize a genuine agricultural innovation system, Ethiopia's extension apparatus should move forward with building committed and robust relationships between farmers, extension agents, researchers, private sectors, and non-governmental organizations. To this end, more research, enhanced training, and improved institutions are needed on what genuine agricultural innovation system could look like at the grass-roots level. This also includes understanding the roles that different actors within Ethiopia's development army should assume how a multi-actor policy dialogue can be organized. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001126500500006 | Publication Date | 2023-12-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1387-585x; 1573-2975 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 4.9 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 4.9; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:202804 | Serial | 9238 | ||
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| Author | Smeyers, R.; Milošević, M.V.; Covaci, L. | ||||
| Title | Strong gate-tunability of flat bands in bilayer graphene due to moiré encapsulation between hBN monolayers | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nanoscale | Abbreviated Journal | |
| Volume | 15 | Issue | 9 | Pages | 4561-4569 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | When using hexagonal boron-nitride (hBN) as a substrate for graphene, the resulting moire pattern creates secondary Dirac points. By encapsulating a multilayer graphene within aligned hBN sheets the controlled moire stacking may offer even richer benefits. Using advanced tight-binding simulations on atomistically-relaxed heterostructures, here we show that the gap at the secondary Dirac point can be opened in selected moire-stacking configurations, and is independent of any additional vertical gating of the heterostructure. On the other hand, gating can broadly tune the gap at the principal Dirac point, and may thereby strongly compress the first moire mini-band in width against the moire-induced gap at the secondary Dirac point. We reveal that in hBN-encapsulated bilayer graphene this novel mechanism can lead to isolated bands flatter than 10 meV under moderate gating, hence presenting a convenient pathway towards electronically-controlled strongly-correlated states on demand. | ||||
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| Language | Wos | 000933052600001 | Publication Date | 2023-02-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364; 2040-3372 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.7; 2023 IF: 7.367 | |||
| Call Number | UA @ admin @ c:irua:195249 | Serial | 7340 | ||
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| Author | Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A. | ||||
| Title | Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3as a Cathode Material for Li-Ion Batteries | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS applied energy materials | Abbreviated Journal | ACS Appl. Energy Mater. |
| Volume | 6 | Issue | 13 | Pages | 6956-6971 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance. | ||||
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| Language | Wos | 001018266700001 | Publication Date | 2023-07-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2574-0962 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | Open Access | Not_Open_Access: Available from 24.12.2023 | |
| Notes | Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 6.4; 2023 IF: NA | ||
| Call Number | EMAT @ emat @c:irua:198160 | Serial | 8809 | ||
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