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Author Nakhaee, M.; Ketabi, S.A.; Peeters, F.M. doi  openurl
  Title Machine learning approach to constructing tight binding models for solids with application to BiTeCl Type A1 Journal article
  Year 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 128 Issue 21 Pages 215107  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Finding a tight-binding (TB) model for a desired solid is always a challenge that is of great interest when, e.g., studying transport properties. A method is proposed to construct TB models for solids using machine learning (ML) techniques. The approach is based on the LCAO method in combination with Slater-Koster (SK) integrals, which are used to obtain optimal SK parameters. The lattice constant is used to generate training examples to construct a linear ML model. We successfully used this method to find a TB model for BiTeCl, where spin-orbit coupling plays an essential role in its topological behavior.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000597311900001 Publication Date 2020-12-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.2 Times cited 10 Open Access  
  Notes ; This work was supported by the Methusalem program of the Flemish government and was partially supported by BOF (UAntwerpen Grant Reference No. ADPERS/BAP/RS/ 2019). We would like to thank one of the anonymous referees for assisting us in making the paper more accessible to the reader. ; Approved Most recent IF: 3.2; 2020 IF: 2.068  
  Call Number UA @ admin @ c:irua:174380 Serial 6691  
Permanent link to this record
 

 
Author Fitawok, M.B.; Derudder, B.; Minale, A.S.; Van Passel, S.; Adgo, E.; Nyssen, J. url  doi
openurl 
  Title Stakeholder perspectives on farmers' resistance towards urban land-use changes in Bahir Dar, Ethiopia Type A1 Journal article
  Year 2023 Publication Journal of land use science Abbreviated Journal  
  Volume 18 Issue 1 Pages 25-38  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Owing to growing uncontrolled land-use change and urban expansion, farmers in urban fringes are struggling to sustain their livelihood. Farmers have been expressing their dissatisfaction at different times. This study analyzes the stakeholders' perspectives on the causes and outcomes of farmers' resistance to land-use change and urban expansion processes by zooming in on Bahir Dar, Ethiopia. The paper is based on focus group discussions with farmers in the neighboring villages, local agricultural extension experts, and, subsequently, key informant interviews of local government officials. Juxtaposing farmers' and local experts' positions reveals that inadequate compensations during land expropriation, lack of good governance in the urban expansion process, and inaccessibility of infrastructures are primary reasons for the farmers' struggle against urban expansion in the urban fringes. This study provides insights into the consequences of unplanned urban development challenges and may inform research and policymaking on sustainable urban development in the area and beyond.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000936397600001 Publication Date 2023-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1747-423x; 1747-4248 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.2 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.2; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:195109 Serial 7368  
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Author Ferreira da Costa, L.; de Lucena, L.C.F.L.; de Lucena, A.E.F.L.; Grangeiro de Barros, A. doi  openurl
  Title Use of Banana Fibers in SMA Mixtures Type A1 Journal article
  Year 2020 Publication Journal Of Materials In Civil Engineering Abbreviated Journal J Mater Civil Eng  
  Volume 32 Issue 1 Pages 04019341  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Energy and Materials in Infrastructure and Buildings (EMIB)  
  Abstract Asphalt binder draindown is a potential issue related to stone matrix asphalt (SMA) mixtures. One convenient approach for reducing binder drainage is the use of fibers as stabilizing additives. This study assesses the feasibility of incorporating fibers from banana plants into an SMA mixture as a proposed use for residues from banana cultivation. We found the fiber content capable of preventing draindown and subsequently evaluated the influence of fiber length on the mechanical properties of an SMA mixture. Samples were prepared in a Superpave gyratory compactor with four different fiber lengths (5, 10, 15, and 20 mm) at a fixed content (0.3% by weight) and then compared to samples without fibers. Indirect tensile strength, resilient and dynamic modulus, flow number, and fatigue life tests were conducted. Overall, fibers improved the mechanical properties analyzed. These enhancements were more pronounced for the samples with 15- and 20-mm fibers. Thus, a smaller number of longer fibers was more beneficial to the fiber reinforcement of mixtures than a larger number of shorter fibers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000497709300014 Publication Date 2019-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0899-1561 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2020 IF: 1.644  
  Call Number UA @ admin @ c:irua:178728 Serial 8719  
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Author Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M. pdf  doi
openurl 
  Title A perspective on the state-of-the-art functionalized 2D materials Type A1 Journal article
  Year 2023 Publication Journal of applied physics Abbreviated Journal  
  Volume 134 Issue 12 Pages 120901-120929  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001087770500008 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record  
  Impact Factor (up) 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2023 IF: 2.068  
  Call Number UA @ admin @ c:irua:201281 Serial 9000  
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Author Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. pdf  doi
openurl 
  Title Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents Type A1 Journal article
  Year 2023 Publication Waste and biomass valorization Abbreviated Journal  
  Volume Issue Pages 1-12  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)  
  Abstract Purpose Natural deep eutectic solvents (NADES) represent a green alternative to conventional organic solvents as reaction medium, offering more benign properties. To efficiently design NADES for biocatalysis, a better understanding of their effect on these reactions is needed. We hypothesize that this effect can be described by separately considering (1) the solvent interactions with the substrates, (2) the solvent viscosities and (3) the enzyme stability in NADES. Methods We investigated the effect of substrate solvation and viscosity on the reaction rate; and the stability of the enzyme in NADES. To this end, we monitored the conversion over time of the transesterification of vinyl laurate with 1- butanol by the lipase enzyme Candida antarctica B in NADES of different compounds and molar ratios. Results The initial reaction rate is higher in most NADES ( varying between 1.14 and 15.07 mu mol min(-1) mg(-1)) than in the reference n-hexane (4.0 mu mol min(-1) mg(-1))), but no clear relationship between viscosity and initial reaction rate was found. The increased reaction rate is most likely related to the solvation of the substrate due to a change in the activation energy of the reaction or a change in the conformation of the substrate. The enzyme retained part of its activity after the first 2 h of reaction (on average 20 % of the substrate reacted in the 2-24 h period). Enzyme incubation in ethylene glycol-based NADES resulted in a reduced reaction rate ( 15.07 vs. 3.34 mu mol min(-1) mg(-1)), but this may also be due to slow dissolution of the substrate. Conclusions The effect of viscosity seems to be marginal next to the effect of solvation and possible enzyme-NADES interaction. The enzyme retains some of its activity during the 24-hour measurements, but the enzyme incubation experiments did not yield accurate, comparable values. [GRAPHICS] .  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001117290800003 Publication Date 2023-12-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1877-2641; 1877-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2023 IF: 1.337  
  Call Number UA @ admin @ c:irua:202709 Serial 9005  
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Author Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M. url  doi
openurl 
  Title Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions Type A1 Journal article
  Year 2023 Publication Journal of applied physics Abbreviated Journal  
  Volume 134 Issue 22 Pages 224301-224307  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001135684400003 Publication Date 2023-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record  
  Impact Factor (up) 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2023 IF: 2.068  
  Call Number UA @ admin @ c:irua:202777 Serial 9069  
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Author Sargin, G.O.; Sarikurt, S.; Sevincli, H.; Sevik, C. pdf  url
doi  openurl
  Title The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research Type A1 Journal article
  Year 2023 Publication Journal of applied physics Abbreviated Journal  
  Volume 133 Issue 15 Pages 150902-150937  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001079329000001 Publication Date 2023-04-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2023 IF: 2.068  
  Call Number UA @ admin @ c:irua:200351 Serial 9105  
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Author Mehmonov, K.; Ergasheva, A.; Yusupov, M.; Khalilov, U. url  doi
openurl 
  Title The role of carbon monoxide in the catalytic synthesis of endohedral carbyne Type A1 Journal article
  Year 2023 Publication Journal of applied physics Abbreviated Journal  
  Volume 134 Issue 14 Pages 144303-144307  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The unique physical properties of carbyne, a novel carbon nanostructure, have attracted considerable interest in modern nanotechnology. While carbyne synthesis has been accomplished successfully using diverse techniques, the underlying mechanisms governing the carbon monoxide-dependent catalytic synthesis of endohedral carbyne remain poorly understood. In this simulation-based study, we investigate the synthesis of endohedral carbyne from carbon and carbon monoxide radicals in the presence of a nickel catalyst inside double-walled carbon nanotubes with a (5,5)@(10,10) structure. The outcome of our investigation demonstrates that the incorporation of the carbon atom within the Ni-n@(5,5)@(10,10) model system initiates the formation of an elongated carbon chain. In contrast, upon the introduction of carbon monoxide radicals, the growth of the carbyne chain is inhibited as a result of the oxidation of endohedral nickel clusters by oxygen atoms after the initial steps of nucleation. Our findings align with prior theoretical, simulation, and experimental investigations, reinforcing their consistency and providing valuable insights into the synthesis of carbyne-based nanodevices that hold promising potential for future advancements in nanotechnology.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001083993400003 Publication Date 2023-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record  
  Impact Factor (up) 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2023 IF: 2.068  
  Call Number UA @ admin @ c:irua:201233 Serial 9106  
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Author Witters, N.; Mendelsohn, R.; Van Passel, S.; Van Slycken, S.; Weyens, N.; Schreurs, E.; Meers, E.; Tack, F.; Vanheusden, B.; Vangronsveld, J. doi  openurl
  Title Phytoremediation, a sustainable remediation technology? 2 : economic assessment of CO2 abatement through the use of phytoremediation crops for renewable energy production Type A1 Journal article
  Year 2012 Publication Biomass & Bioenergy Abbreviated Journal Biomass Bioenerg  
  Volume 39 Issue Pages 470-477  
  Keywords A1 Journal article; Economics; Engineering Management (ENM)  
  Abstract Phytoremediation could be a sustainable remediation alternative for conventional remediation technologies. However, its implementation on a commercial scale remains disappointing. To emphasize its sustainability, this paper examines whether and how the potential economic benefit of CO2 abatement for different crops used for phytoremediation or sustainable land management purposes could promote phytotechnologies. Our analysis is based on a case study in the Campine region, where agricultural soils are contaminated with mainly cadmium. We use Life Cycle Analysis to show for the most relevant crops (willow (Salix spp), energy maize (Zea mays), and rapeseed (Brassica napus)), that phytoremediation, used for renewable energy production, could abate CO2. Converting this in economic numbers through the Marginal Abatement Cost of CO2 ( 20 ton−1) we can integrate this in the economic analysis to compare phytoremediation crops among each other, and phytoremediation with conventional technologies. The external benefit of CO2 abatement when using phytoremediation crops for land management ranges between 55 and 501 per hectare. The purpose of these calculations is not to calculate a subsidy for phytoremediation. There is no reason why one would prefer phytoremediation crops for renewable energy production over normal biomass. Moreover, subsidies for renewable energy already exist. Therefore, we should not integrate these numbers in the economic analysis again. However, these numbers could contribute to making explicit the competitive advantage of phytoremediation compared to conventional remediation technologies, but also add to a more sustainably funded decision on which crop should be grown on contaminated land.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000302829900054 Publication Date 2011-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0961-9534 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.219 Times cited 38 Open Access  
  Notes ; ; Approved Most recent IF: 3.219; 2012 IF: 2.975  
  Call Number UA @ admin @ c:irua:129863 Serial 6236  
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Author Maes, D.; Van Passel, S. pdf  doi
openurl 
  Title Effective bioeconomy policies for the uptake of innovative technologies under resource constraints Type A1 Journal article
  Year 2019 Publication Biomass & Bioenergy Abbreviated Journal Biomass Bioenerg  
  Volume 120 Issue 120 Pages 91-106  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract The bioeconomy is a shared vision for a future European industry entirely based on organic matter. Authorities support this technological development with subsidies and policies stimulating R&D. One major limitation for the bioeconomy is that R&D and industrial growth require the continuous availability of biomass as a primary resource. This resource dependence is already present during the formative years of new biobased innovations and influences the pilot and demonstration phase of the development. Traditionally, it is assumed that public support for pilot and demonstration initiatives may overcome this hurdle. In this paper, we investigate how this resource constraint limits the effectiveness of bioeconomy policies. The future development of the biobased sector is simulated including the inherent dependence of industrial activity on biomass. We simulate the future growth and technological diversity of an emerging biotechnological sector: the sector of manure transformation in Belgium. The paper reports the evolutions for three policy scenarios. The model explicitly accounts for endogenous innovation and knowledge transfer mechanisms. The results show that policies may have an important impact on the sector structure in the long run, but the sector growth remains ultimately constrained by the availability of inputs. So bioeconomy policies to promote innovation will be less effective, unless mechanisms are included to alleviate the resource constraint.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000454887700011 Publication Date 2018-11-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0961-9534 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.219 Times cited 3 Open Access  
  Notes ; ; Approved Most recent IF: 3.219  
  Call Number UA @ admin @ c:irua:156757 Serial 6191  
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Author Van Dael, M.; Van Passel, S.; Pelkmans, L.; Guisson, R.; Swinnen, G.; Schreurs, E. doi  openurl
  Title Determining potential locations for biomass valorization using a macro screening approach Type A1 Journal article
  Year 2012 Publication Biomass & Bioenergy Abbreviated Journal Biomass Bioenerg  
  Volume 45 Issue Pages 175-186  
  Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract European policy states that by 2020 at least 20% of final energy consumption should come from renewable energy sources. Biomass as a renewable energy source cannot be disregarded in order to attain this target. In this study a macro screening approach is developed to determine potential locations for biomass valorization in a specified region. The approach consists of five steps: (1) criteria determination, (2) data gathering, (3) weight assignment, (4) final score, (5) spatial representation. The resulting outcome provides a first well balanced scan of the possibilities for energy production using regional biomass. This way policy makers and investors can be supported and motivated to study the possibilities of building energy production plants at specific locations in more detail, which can be described as a 'micro-screening'. In our case study the approach is applied to determine the potentially interesting locations to establish a biomass project. The region has been limited to the forty-four communities in the province of Limburg (Belgium). The macro screening approach has shown to be very effective since the amount of interesting locations has been reduced drastically. (c) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000308384500019 Publication Date 2012-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0961-9534 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.219 Times cited 23 Open Access  
  Notes ; The authors gratefully acknowledge the financial support from INTERREG and the province of Limburg. Special thanks to our colleague Thomas Voets for his effort in making the GIS maps. Moreover, the authors would like to thank the two anonymous reviewers for their valuable comments. ; Approved Most recent IF: 3.219; 2012 IF: 2.975  
  Call Number UA @ admin @ c:irua:127554 Serial 6178  
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Author Schryvers, D.; Lahjouji, D.E.; Slootmaekers, B.; Potapov, P.L. doi  openurl
  Title HREM investigation of martensite precursor effects and stacking sequences in Ni-Mn-Ti alloys Type A1 Journal article
  Year 1996 Publication Scripta metallurgica et materialia Abbreviated Journal Scripta Mater  
  Volume 35 Issue Pages 1235-1241  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos A1996VL92800019 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.224 Times cited 2 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15427 Serial 1506  
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Author Verberck, B. url  doi
openurl 
  Title Symmetry-adapted rotator functions for molecules in cylindrical confinement Type A1 Journal article
  Year 2011 Publication International journal of molecular sciences Abbreviated Journal Int J Mol Sci  
  Volume 12 Issue 1 Pages 317-333  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a general description of the formalism of symmetry-adapted rotator functions (SARFs) for molecules in cylindrical confinement. Molecules are considered as clusters of interaction centers (ICs), can have any symmetry, and can display different types of ICs. Cylindrical confinement can be realized by encapsulation in a carbon nanotube (CNT). The potential energy of a molecule surrounded by a CNT can be calculated by evaluating a limited number of terms of an expansion into SARFs, which offers a significant reduction of the computation time. Optimal molecular orientations can be deduced from the resulting potential energy landscape. Examples, including the case of a molecule with cubic symmetry inside a CNT, are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000286583400017 Publication Date 2011-01-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1422-0067; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.226 Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: 3.226; 2011 IF: NA  
  Call Number UA @ lucian @ c:irua:88048 Serial 3402  
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Author Bengtson, C.; Bogaerts, A. url  doi
openurl 
  Title The Quest to Quantify Selective and Synergistic Effects of Plasma for Cancer Treatment: Insights from Mathematical Modeling Type A1 Journal article
  Year 2021 Publication International Journal Of Molecular Sciences Abbreviated Journal Int J Mol Sci  
  Volume 22 Issue 9 Pages 5033  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Cold atmospheric plasma (CAP) and plasma-treated liquids (PTLs) have recently become a promising option for cancer treatment, but the underlying mechanisms of the anti-cancer effect are still to a large extent unknown. Although hydrogen peroxide () has been recognized as the major anti-cancer agent of PTL and may enable selectivity in a certain concentration regime, the co-existence of nitrite can create a synergistic effect. We develop a mathematical model to describe the key species and features of the cellular response toward PTL. From the numerical solutions, we define a number of dependent variables, which represent feasible measures to quantify cell susceptibility in terms of the membrane diffusion rate constant and the intracellular catalase concentration. For each of these dependent variables, we investigate the regimes of selective versus non-selective, and of synergistic versus non-synergistic effect to evaluate their potential role as a measure of cell susceptibility. Our results suggest that the maximal intracellular concentration, which in the selective regime is almost four times greater for the most susceptible cells compared to the most resistant cells, could be used to quantify the cell susceptibility toward exogenous . We believe our theoretical approach brings novelty to the field of plasma oncology, and more broadly, to the field of redox biology, by proposing new ways to quantify the selective and synergistic anti-cancer effect of PTL in terms of inherent cell features.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000650366900001 Publication Date 2021-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1422-0067 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.226 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.226  
  Call Number PLASMANT @ plasmant @c:irua:178123 Serial 6757  
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Author Filippov, S.K.; Sedlacek, O.; Bogomolova, A.; Vetrik, M.; Jirak, D.; Kovar, J.; Kucka, J.; Bals, S.; Turner, S.; Stepanek, P.; Hruby, M.; pdf  doi
openurl 
  Title Glycogen as a biodegradable construction nanomaterial for in vivo use Type A1 Journal article
  Year 2012 Publication Macromolecular bioscience Abbreviated Journal Macromol Biosci  
  Volume 12 Issue 12 Pages 1731-1738  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It is demonstrated that glycogen as a biodegradable and inexpensive material coming from renewable resources can be used as a carrier for the construction of in vivo imaging nanoagents. The model system considered is composed of glycogen modified with gadolinium and fluorescent labels. Systematic studies of properties of these nanocarriers by a variety of physical methods and results of in vivo tests of biodegradability are reported. This represents, to the authors' best knowledge, the first such use of glycogen.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000312242600016 Publication Date 2012-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1616-5187; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.238 Times cited 22 Open Access  
  Notes 262348 ESMI; FWO; Hercules Approved Most recent IF: 3.238; 2012 IF: 3.742  
  Call Number UA @ lucian @ c:irua:105286 Serial 1354  
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Author Bogaerts, A.; Gijbels, R. doi  openurl
  Title Behavior of the sputtered copper atoms, ions and excited species in a radio-frequency and direct current glow discharge Type A1 Journal article
  Year 2000 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 55 Issue Pages 279-297  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000086340100006 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 17 Open Access  
  Notes Approved Most recent IF: 3.241; 2000 IF: 2.608  
  Call Number UA @ lucian @ c:irua:28325 Serial 226  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. openurl 
  Title Calculation of crater profiles on a flat cathode in a direct current glow discharge, and comparison with experiment Type A1 Journal article
  Year 1997 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 52 Issue 6 Pages 765-778  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos A1997XH34900009 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; 0038-6987 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 42 Open Access  
  Notes Approved Most recent IF: 3.241; 1997 IF: 2.448  
  Call Number UA @ lucian @ c:irua:19603 Serial 265  
Permanent link to this record
 

 
Author Bogaerts, A.; Temelkov, K.A.; Vuchkov, N.K.; Gijbels, R. doi  openurl
  Title Calculation of rate constants for asymmetric charge transfer, and their effect on relative sensitivity factors in glow discharge mass spectrometry Type A1 Journal article
  Year 2007 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 62 Issue 4 Pages 325-336  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000247551800001 Publication Date 2007-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 28 Open Access  
  Notes Approved Most recent IF: 3.241; 2007 IF: 2.957  
  Call Number UA @ lucian @ c:irua:64329 Serial 269  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R.; Carman, R.J. doi  openurl
  Title Collisional-radiative model for the sputtered copper atoms and ions in a direct current argon glow discharge Type A1 Journal article
  Year 1998 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 53 Issue Pages 1679-1703  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000078046700005 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 71 Open Access  
  Notes Approved Most recent IF: 3.241; 1998 IF: 2.758  
  Call Number UA @ lucian @ c:irua:24126 Serial 388  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R.; Goedheer, W. doi  openurl
  Title Comparison between a radio-frequency and direct current glow discharge in argon by a hybrid Monte Carlo-fluid model for electrons, argon ions and fast argon atoms Type A1 Journal article
  Year 1999 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 54 Issue 9 Pages 1335-1350  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000082537900007 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 11 Open Access  
  Notes Approved Most recent IF: 3.241; 1999 IF: 2.421  
  Call Number UA @ lucian @ c:irua:24924 Serial 424  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. openurl 
  Title Comparison of argon and neon as discharge gases in a direct current glow discharge: a mathematical simulation Type A1 Journal article
  Year 1997 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 52 Issue 5 Pages 553-566  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos A1997XG74100002 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; 0038-6987 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 13 Open Access  
  Notes Approved Most recent IF: 3.241; 1997 IF: 2.448  
  Call Number UA @ lucian @ c:irua:19601 Serial 426  
Permanent link to this record
 

 
Author Bogaerts, A.; Donko, Z.; Kutasi, K.; Bano, G.; Pinhao, N.; Pinheiro, M. doi  openurl
  Title Comparison of calculated and measured optical emission intensities in a direct current argon-copper glow discharge Type A1 Journal article
  Year 2000 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 55 Issue Pages 1465-1479  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000089748400007 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 33 Open Access  
  Notes Approved Most recent IF: 3.241; 2000 IF: 2.608  
  Call Number UA @ lucian @ c:irua:34144 Serial 428  
Permanent link to this record
 

 
Author Bogaerts, A.; Wilken, L.; Hoffmann, V.; Gijbels, R.; Wetzig, K. doi  openurl
  Title Comparison of modeling calculations with experimental results for direct current glow discharge optical emission spectrometry Type A1 Journal article
  Year 2001 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 56 Issue Pages 551-564  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000169972200007 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 16 Open Access  
  Notes Approved Most recent IF: 3.241; 2001 IF: 2.172  
  Call Number UA @ lucian @ c:irua:34140 Serial 430  
Permanent link to this record
 

 
Author Bogaerts, A.; Wilken, L.; Hoffmann, V.; Gijbels, R.; Wetzig, K. doi  openurl
  Title Comparison of modeling calculations with experimental results for rf glow discharge optical emission spectrometry Type A1 Journal article
  Year 2002 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 57 Issue Pages 109-119  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000173505300010 Publication Date 2002-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.241; 2002 IF: 2.695  
  Call Number UA @ lucian @ c:irua:40178 Serial 431  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. doi  openurl
  Title Comprehensive description of a Grimm-type glow discharge source used for optical emission spectrometry: a mathematical simulation Type A1 Journal article
  Year 1998 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 53 Issue Pages 437-462  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000074408300006 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 46 Open Access  
  Notes Approved Most recent IF: 3.241; 1998 IF: 2.758  
  Call Number UA @ lucian @ c:irua:19613 Serial 449  
Permanent link to this record
 

 
Author Bogaerts, A.; Verscharen, W.; Steers, E. doi  openurl
  Title Computer simulations of crater profiles in glow discharge optical emission spectrometry: comparison with experiments and investigation of the underlying mechanisms Type A1 Journal article
  Year 2004 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 59 Issue Pages 1403-1411  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000224589900008 Publication Date 2004-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.241; 2004 IF: 3.086  
  Call Number UA @ lucian @ c:irua:48103 Serial 469  
Permanent link to this record
 

 
Author Bleiner, D.; Bogaerts, A. doi  openurl
  Title Computer simulations of sample chambers for laser ablation-inductively coupled plasma spectrometry Type A1 Journal article
  Year 2007 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 62 Issue 2 Pages 155-168  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000246087100009 Publication Date 2007-02-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited Open Access  
  Notes Approved Most recent IF: 3.241; 2007 IF: 2.957  
  Call Number UA @ lucian @ c:irua:63350 Serial 473  
Permanent link to this record
 

 
Author Bogaerts, A.; Gijbels, R. doi  openurl
  Title Description of the argon-excited levels in a radio-frequency and direct current glow discharge Type A1 Journal article
  Year 2000 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 55 Issue Pages 263-278  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000086340100005 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 24 Open Access  
  Notes Approved Most recent IF: 3.241; 2000 IF: 2.608  
  Call Number UA @ lucian @ c:irua:28324 Serial 653  
Permanent link to this record
 

 
Author Autrique, D.; Bogaerts, A.; Lindner, H.; Garcia, C.C.; Niemax, K. doi  openurl
  Title Design analysis of a laser ablation cell for inductively coupled plasma mass spectrometry by numerical simulation Type A1 Journal article
  Year 2008 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 63 Issue 2 Pages 257-270  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000254038900016 Publication Date 2007-12-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 26 Open Access  
  Notes Approved Most recent IF: 3.241; 2008 IF: 2.853  
  Call Number UA @ lucian @ c:irua:67086 Serial 656  
Permanent link to this record
 

 
Author Bogaerts, A.; Chen, Z.; Autrique, D. doi  openurl
  Title Double pulse laser ablation and laser induced breakdown spectroscopy: a modeling investigation Type A1 Journal article
  Year 2008 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 63 Issue 7 Pages 746-754  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000258175000003 Publication Date 2008-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 3.241 Times cited 56 Open Access  
  Notes Approved Most recent IF: 3.241; 2008 IF: 2.853  
  Call Number UA @ lucian @ c:irua:69248 Serial 756  
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