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Author Spanoghe, J.; Vermeir, P.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Microbial food from light, carbon dioxide and hydrogen gas : kinetic, stoichiometric and nutritional potential of three purple bacteria Type A1 Journal article
  Year 2021 Publication Bioresource Technology Abbreviated Journal Bioresource Technol  
  Volume 337 Issue Pages 125364  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The urgency for a protein transition towards more sustainable solutions is one of the major societal challenges. Microbial protein is one of the alternative routes, in which land- and fossil-free production should be targeted. The photohydrogenotrophic growth of purple bacteria, which builds on the H2– and CO2-economy, is unexplored for its microbial protein potential. The three tested species (Rhodobacter capsulatus, Rhodobacter sphaeroides and Rhodopseudomonas palustris) obtained promising growth rates (2.3–2.7 d−1 at 28°C) and protein productivities (0.09–0.12 g protein L−1 d−1), rendering them likely faster and more productive than microalgae. The achieved protein yields (2.6–2.9 g protein g−1 H2) transcended the ones of aerobic hydrogen oxidizing bacteria. Furthermore, all species provided full dietary protein matches for humans and their fatty acid content was dominated by vaccenic acid (82–86%). Given its kinetic and nutritional performance we recommend to consider Rhodobacter capsulatus as a high-potential sustainable source of microbial food.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000694862500007 Publication Date 2021-06-03  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.651 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.651  
  Call Number UA @ admin @ c:irua:178752 Serial 8243  
Permanent link to this record
 

 
Author Zhu, W. url  openurl
  Title Microbial resource management for mainstream partial nitritation/anammox : strategies to enhance the nitrogen conversion efficiency Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 207 p.  
  Keywords Doctoral thesis; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This thesis provides three potential ways to enhance the nitrogen removal efficiency of mainstream partial nitritation/anammox (PN/A), a key technology to enable energy-positive sewage treatment. In Chapter 1, the typical technologies to promote nitrogen removal efficiency are summarized. In Chapters 2 and 3, the concept ‘winter bioaugmentation with stored summer surplus sludge’ is proposed. Applying that, a cost-effective sludge preservation strategy is required. Preserving PN/A biomass without cooling and redox adjustment proved to be the cost-effective strategy. The reactivation of these stored sludges was also tested in low-temperature systems (15 and 10℃). Respectively 56% and 41% of granules activity compared to pre-storage activity (after Arrhenius-based temperature correction) could be recovered within a month (41% and 32% for flocs activity). In the end, the stored AnAOB bioaugmentation was successfully validated in the lab (20℃). In Chapter 4, a return-sludge nursery concept, applying the sidestream nitritation and blending the resulting effluent with mainstream effluent to achieve an intermediate temperature and nitrogen concentrations, is proposed. That led to a 33 – 36% increase in nitrogen removal efficiency. Arrhenius’ expectations (10 ℃ higher temperature, θ = 1.09) could only explain 49-51% of the activity increase in the nursery reactor, pointing to the role of other factors, e.g., the ~400% elevated electrical conductivity (15-16%), the 56-335% higher effluent nitrogen concentrations (12-14%), and the synergy and unknown factors (20-23%). Thus, the return-sludge biostimulation approach could also enhance nitrogen efficiency in the mainstream. In Chapter 5, the N2O emissions, linked to three typical nitrite-oxidizing bacteria (NOB) suppression strategies (low dissolved oxygen (DO) level, free ammonia (FA), and free nitrous acids (FNA) treatments) were tested in a biofilm system. A low emerged DO level (~0.60 mg O2 L-1) was effective to suppress NOB activity and decrease N2O emissions, but NOB adaptation gradually appeared after 200 days. Further NOB inhibition was successfully achieved by periodical (3 hours per week) FA (~30 mg NH3-N L-1) or FNA (~3 mg HNO2-N L-1) treatments. The FA treatment promoted N2O production, while the FNA treatment had no effect. Thus, PN/A systems should be operated at relatively low DO levels with periodical FNA treatment. In Chapter 6, the major findings proposed and the main conclusions drawn in this thesis are outlined. Beyond that, the possible design of a mainstream PN/A configuration that combined all described three technologies is demonstrated. Overall, the novel insights from this thesis potential to improve nitrogen removal efficiency in the mainstream.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:184236 Serial 8245  
Permanent link to this record
 

 
Author Sun, J.; Li, Y.; Karaaslan, Y.; Sevik, C.; Chen, Y. doi  openurl
  Title Misfit dislocation structure and thermal boundary conductance of GaN/AlN interfaces Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 130 Issue 3 Pages 035301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structure and thermal boundary conductance of the wurtzite GaN/AlN (0001) interface are investigated using molecular dynamics simulation. Simulation results with three different empirical interatomic potentials have produced similar misfit dislocation networks and dislocation core structures. Specifically, the misfit dislocation network at the GaN/AlN interface is found to consist of pure edge dislocations with a Burgers vector of 1/3(1 (2) over bar 10) and the misfit dislocation core has an eight-atom ring structure. Although different interatomic potentials lead to different dislocation properties and thermal conductance values, all have demonstrated a significant effect of misfit dislocations on the thermal boundary conductance of the GaN/AlN (0001) interface. Published under an exclusive license by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000694725800001 Publication Date 2021-07-15  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:181623 Serial 8254  
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Author Gielis, J.; Ricci, P.E.; Tavkhelidze, I. pdf  url
doi  openurl
  Title The Möbius phenomenon in Generalized Möbius-Listing surfaces and bodies, and Arnold's Cat phenomenon Type A1 Journal article
  Year 2021 Publication Advanced Studies : Euro-Tbilisi Mathematical Journal Abbreviated Journal  
  Volume 14 Issue 4 Pages 17-35  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Möbius bands have been studied extensively, mainly in topology. Generalized Möbius-Listing surfaces and bodies providing a full geometrical generalization, is a quite new field, motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. In general, cutting leads to interlinked and intertwined different surfaces or bodies, resulting in very complex systems. However, under certain conditions, the result of cutting can be a single surface or body, which reduces complexity considerably. Our research is motivated by this reduction of complexity. In the study of cutting Generalized Möbius-Listing bodies with polygons as cross section, the conditions under which a single body results, displaying the Möbius phenomenon of a one-sided body, have been determined for even and odd polygons. These conditions are based on congruence and rotational symmetry of the resulting cross sections after cutting, and on the knife cutting the origin. The Möbius phenomenon is important, since the process of cutting (or separation of zones in a GML body in general) then results in a single body, not in different, intertwined domains. In all previous works it was assumed that the cross section of the GML bodies is constant, but the main result of this paper is that it is sufficient that only one cross section on the whole GML structure meets the conditions for the Möbius phenomenon to occur. Several examples are given to illustrate this.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000774655100002 Publication Date  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:183081 Serial 8258  
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Author Baly, L.; Quesada, I.; Murray, A.S.; Martin, G.; van Espen, P.; Arteche, R.; Jain, M. pdf  doi
openurl 
  Title Modeling the charge deposition in quartz grains during natural irradiation and its influence on the optically stimulated luminescence signal Type A1 Journal article
  Year 2021 Publication Radiation Measurements Abbreviated Journal Radiat Meas  
  Volume 142 Issue Pages 106564  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The rate of charge deposition in quartz grains irradiated in natural conditions is computed by radiation transport modeling. Quartz luminescence models are modified with the addition of the resulting charge deposition term, and the influence of this process on the optically stimulated luminescence (OSL) signal is analyzed. The results indicate that the charge deposition occurring in the quartz grain during the time of residence within rock could lead to the depletion of trapped holes in the recombination centres. For the two different quartz models investigated here, complete depletion is expected to occur for rock ages between 500 Ma and 1100 Ma. It is predicted that for sedimentary quartz derived from such rocks, the OSL signal is dominated by the slow component. It was also found that the shape and saturation level of the natural sensitivity-corrected dose response curve (DRC) of quartz is affected by the charge deposition; specifically, a linear reduction of the saturation level with the age of the rock is observed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000639160300003 Publication Date 2021-03-18  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 1350-4487 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.442 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.442  
  Call Number UA @ admin @ c:irua:178307 Serial 8265  
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Author Castanheiro, A.; Wuyts, K.; Hofman, J.; Nuyts, G.; De Wael, K.; Samson, R. pdf  url
doi  openurl
  Title Morphological and elemental characterization of leaf-deposited particulate matter from different source types : a microscopic investigation Type A1 Journal article
  Year 2021 Publication Environmental Science And Pollution Research Abbreviated Journal Environ Sci Pollut R  
  Volume 28 Issue 20 Pages 25716-25732  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Particulate matter (PM) deposition on urban green enables the collection of particulate pollution from a diversity of contexts, and insight into the physico-chemical profiles of PM is key for identifying main polluting sources. This study reports on the morphological and elemental characterization of PM2-10 deposited on ivy leaves from five different environments (forest, rural, roadside, train, industry) in the region of Antwerp, Belgium. Ca. 40,000 leaf-deposited particles were thoroughly investigated by particle-based analysis using scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM/EDX) and their physico-chemical characteristics were explored for PM source apportionment purposes. The size distribution of all deposited particles was biased towards small-sized PM, with 32% of the particles smaller than 2.5 mu m (PM2.5) and median diameters of 2.80-3.09 mu m. The source type influenced both the particles' size and morphology (aspect ratio and shape), with roadside particles being overall the smallest in size and the most spherical. While forest and rural elemental profiles were associated with natural PM, the industry particles revealed the highest anthropogenic metal input. PM2-10 profiles for roadside and train sites were rather comparable and only distinguishable when evaluating the fine (2-2.5 mu m) and coarse (2.5-10 mu m) PM fractions separately, which enabled the identification of a larger contribution of combustion-derived particles (small, circular, Fe-enriched) at the roadside compared to the train. Random forest prediction model classified the source type correctly for 61-85% of the leaf-deposited PM. The still modest classification accuracy denotes the influence of regional background PM and demands for additional fingerprinting techniques to facilitate source apportionment. Nonetheless, the obtained results demonstrate the utility of leaf particle-based analysis to fingerprint and pinpoint source-specific PM, particularly when considering both the composition and size of leaf-deposited particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000609067300006 Publication Date 2021-01-20  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0944-1344; 1614-7499 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.741 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.741  
  Call Number UA @ admin @ c:irua:176082 Serial 8282  
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Author Trashin, S.; Morales-Yánez, F.; Thiruvottriyur Shanmugam, S.; Paredis, L.; Carrión, E.N.; Sariego, I.; Muyldermans, S.; Polman, K.; Gorun, S.M.; De Wael, K. pdf  url
doi  openurl
  Title Nanobody-based immunosensor detection enhanced by photocatalytic-electrochemical redox cycling Type A1 Journal article
  Year 2021 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 93 Issue 40 Pages 13606-13614  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Detection of antigenic biomarkers present in trace amounts is of crucial importance for medical diagnosis. A parasitic disease, human toxocariasis, lacks an adequate diagnostic method despite its worldwide occurrence. The currently used serology tests may stay positive even years after a possibly unnoticed infection, whereas the direct detection of a re-infection or a still active infection remains a diagnostic challenge due to the low concentration of circulating parasitic antigens. We report a time-efficient sandwich immunosensor using small recombinant single-domain antibodies (nanobodies) derived from camelid heavy-chain antibodies specific to Toxocara canis antigens. An enhanced sensitivity to pg/mL levels is achieved by using a redox cycle consisting of a photocatalytic oxidation and electrochemical reduction steps. The photocatalytic oxidation is achieved by a photosensitizer generating singlet oxygen (1O2) that, in turn, readily reacts with p-nitrophenol enzymatically produced under alkaline conditions. The photooxidation produces benzoquinone that is electrochemically reduced to hydroquinone, generating an amperometric response. The light-driven process could be easily separated from the background, thus making amperometric detection more reliable. The proposed method for detection of the toxocariasis antigen marker shows superior performances compared to other detection schemes with the same nanobodies and outperforms by at least two orders of magnitude the assays based on regular antibodies, thus suggesting new opportunities for electrochemical immunoassays of challenging low levels of antigens.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000708550500025 Publication Date 2021-09-29  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.32 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 6.32  
  Call Number UA @ admin @ c:irua:181795 Serial 8290  
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Author Beltran, V.; Marchetti, A.; Nuyts, G.; Leeuwestein, M.; Sandt, C.; Borondics, F.; De Wael, K. pdf  url
doi  openurl
  Title Nanoscale analysis of historical paintings by means of O‐PTIR spectroscopy : the identification of the organic particles in L’Arlésienne (portrait of Madame Ginoux) by Van Gogh Type A1 Journal article
  Year 2021 Publication Angewandte Chemie-International Edition Abbreviated Journal Angew Chem Int Edit  
  Volume 60 Issue 42 Pages 22753-22760  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Optical-photothermal infrared (O-PTIR) spectroscopy is a recently developed technique that provides spectra comparable to traditional transmission FTIR spectroscopy with nanometric spatial resolution. Hence, O-PTIR is a promising candidate for the analysis of historical paintings, as well as other cultural heritage objects, but its potential has not yet been evaluated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000694015700001 Publication Date 2021-06-24  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 11.994  
  Call Number UA @ admin @ c:irua:179989 Serial 8291  
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Author Daems, E.; Moro, G.; Berghmans, H.; Moretto, L.M.; Dewilde, S.; Angelini, A.; Sobott, F.; De Wael, K. pdf  url
doi  openurl
  Title Native mass spectrometry for the design and selection of protein bioreceptors for perfluorinated compounds Type A1 Journal article
  Year 2021 Publication Analyst Abbreviated Journal Analyst  
  Volume 146 Issue 6 Pages 2065-2073  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Biosensing platforms are answering the increasing demand for analytical tools for environmental monitoring of small molecules, such as per- and polyfluoroalkyl substances (PFAS). By transferring toxicological findings in bioreceptor design we can develop innovative pathways for biosensor design. Indeed, toxicological studies provide fundamental information about PFAS-biomolecule complexes that can help evaluate the applicability of the latter as bioreceptors. The toolbox of native mass spectrometry (MS) can support this evaluation, as shown by the two case studies reported in this work. The analysis of model proteins’ (i.e. albumin, haemoglobin, cytochrome c and neuroglobin) interactions with well-known PFAS, such as perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS), demonstrated the potential of this native MS screening approach. In the first case study, untreated albumin and delipidated albumin were compared in the presence and absence of PFOA confirming that the delipidation step increases albumin affinity for PFOA without affecting protein stability. In the second case study, the applicability of our methodology to identify potential bioreceptors for PFOS/PFOA was extended to other proteins. Structurally related haemoglobin and neuroglobin revealed a 1 : 1 complex, whereas no binding was observed for cytochrome c. These studies have value as a proof-of-concept for a general application of native MS to identify bioreceptors for toxic compounds.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000631575100031 Publication Date 2021-01-18  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0003-2654; 1364-5528 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.885 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.885  
  Call Number UA @ admin @ c:irua:177074 Serial 8294  
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Author Wagaarachchige, J.; Idris, Z.; Kummamuru, N.B.; Sætre, K.A.; Halstensen, M.; Jens, K.-J. url  doi
openurl 
  Title A new sulfolane based solvent for CO₂ capture Type P1 Proceeding
  Year 2021 Publication SSRN electronic journal Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This study presents novel sulfolane based non-aqueous CO2 capture solvents, as an alternative solution for capturing CO2 from industrial processes. In order to select the most promising amine system, five different amines were tested by monitoring CO2 absorption and desorption processes using the time-base Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy. During absorption experiments, we observed the formation of Monomethyl Carbonate (MMC) in diisopropylamine (DIPA) and 2-amino-2-methyl-1-propanol (AMP) systems, while carbamate was observed as the main product for the other three amine systems tested. In regeneration experiments, the MMC could be desorbed relatively easily from the amine solution at a mild temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2021-04-17  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180364 Serial 8305  
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Author Marchetti, A. url  openurl
  Title Novel insights and approaches for the analytical characterization of tangible cultural heritage objects Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 333 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Cultural heritage represents the vehicle of our cultural identity, handed over from past to future generations throughout human history. As a repository of fundamental cultural and social values, the preservation of all forms of cultural heritage is a responsibility of every society and of humankind as a whole. When it comes to tangible cultural heritage, preservation of heritage translates into preservation of objects and, therefore, of the materials they are constituted of. This crucial task relies heavily on the application of scientific analytical methods to answer material and conservation-related questions. ​ ​ The fundamental contribution of this analytical approach led, in the past decades, to an ever-deepening understanding of the factors governing the degradation of cultural heritage. However, the extreme complexity of the heritage object-environment system results in a massive research field, which inevitably presents relevant open questions. This is where the present PhD work comes into play, attempting to fill knowledge gaps in literature by starting from specific case studies and un-answered research questions. ​ ​ The multianalytical research conducted during this PhD unraveled fundamental information on the properties governing the reactivity and long-term behavior of different classes of materials, from α-brass in an indoor environment to artists’ pigments in the presence of light, moisture and soluble particulate matter (PM). The paramount importance of the synthesis conditions on the composition, physical properties and reactivity of heritage materials was also demonstrated, in particular for stable lead pyroantimonate and unstable Geranium lake artists’ pigments. Moreover, the study and characterization of specific heritage objects, namely a series of 16th century reliquary altarpieces and the painting L’Arlesienne, by Vincent Van Gogh, allowed to obtain relevant insights into their composition and on potential risks for their conservation. The challenging nature of the samples considered, created the perfect opportunity to test an innovative spectroscopic technique, optical photo-thermal IR (O-PTIR), for the characterization of heritage materials. Striking results were obtained, highlighting a great potential for the application of this non-destructive sub-micron molecular spectroscopy to the analysis of cultural heritage. Finally, in the last section of this work, strategies to implement the continuous monitoring of PM levels in indoor environmental quality studies were also considered, with a particular focus on the identification of environmental hazards for the collections housed in specific conservation environments (War Heritage Institute in Brussels and St. Martin’s church in Aalst, BE).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:177849 Serial 8319  
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Author Bal, K.M. url  doi
openurl 
  Title Nucleation rates from small scale atomistic simulations and transition state theory Type A1 Journal article
  Year 2021 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys  
  Volume 155 Issue 14 Pages 144111  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion relying only on the free energy barrier, transition state theory, and a simple dynamical correction for diffusive recrossing. In this setup, the time scale problem is overcome by using enhanced sampling methods, in casu metadynamics, whereas the impact of finite size effects can be naturally circumvented by reconstructing the free energy surface from an appropriate ensemble. Approximations from classical nucleation theory are avoided. We demonstrate the accuracy of the approach by calculating macroscopic rates of droplet nucleation from argon vapor, spanning 16 orders of magnitude and in excellent agreement with literature results, all from simulations of very small (512 atom) systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000755502100008 Publication Date 2021-09-30  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.965 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.965  
  Call Number UA @ admin @ c:irua:184937 Serial 8320  
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Author Cong, S. file  openurl
  Title Numerical study on low-pressure hollow cathode argon arc plasma Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages XIX, 126 p.  
  Keywords Doctoral thesis; Philosophy; Educational sciences; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The low-pressure hollow cathode discharge made of a hollow circular tube and an anode is a type of simple structure discharge system. In particular, under the arc discharge mode, hollow cathodes have high plasma density and energy density with a wide range of adaptability of pressure and current. Low-pressure hollow cathode arc (HCA) discharges have been widely used as plasma sources in various fields such as manufacturing, vacuum welding, and aerospace since the 1960s. Despite the early experimental and applied researches on low-pressure HCA discharges, the basic theoretical study was relatively lagged much behind, resulting in many unanswered questions, such as the optimal discharge operating parameters, the power deposition inside the cathode, the causes of plasma instability, and how to effectively reduce cathode erosion and so on. Due to the special discharge structure of the hollow cathode, it is difficult to make an accurate experimental diagnosis, so a reasonable numerical simulation is an effective study method. However, up to now, there is still a lack of complete and effective numerical models which can evaluate various physical fields in the low-pressure hollow cathode discharges. To address the above problems and difficulties, a comprehensive and self-consistent 2D multi-physical coupling numerical model based on a commercial program of finite element method, the COMSOL Multiphysics, was provided in this paper. The model involves plasma transport, arc flow and heat transfer, and cathode thermal equilibrium, and can consider the effect of an applied magnetic field. The processes of secondary electron emission, thermal-field electron emission, ions and backflow high-energy electrons bombardment, and thermal radiation from the cathode surface are considered in the cathode thermal equilibrium process. Based on the above background, this paper works from the following aspects: In Chapter 1, the basic concepts of low-pressure HCA discharge including the hollow cathode effect, the basic characteristics, and operation modes were introduced firstly; Secondly, the application fields, development history, and overseas and domestic research status of hollow cathode discharge were reviewed; finally, the problems were presented and the research background was explained, and the research purpose of this paper was clarified. In Chapter 2, a complete and self-consistent numerical model of low-pressure hollow cathode discharge was proposed based on the fundamental theory and assumptions, and the set of control equations and boundary conditions in the model were elaborated. In addition, the electron energy distribution function, the collision processes, the solving tools of this model, and calculation schemes were introduced in detail. Finally, a validation example was given to test the rationality and applicability of the numerical model. In Chapter 3, the fundamental plasma properties of low-pressure hollow cathode arcs were investigated. Firstly, the ion Joule heating effect was studied. The results showed that the temperature distributions of the arc and cathode are only able to approach the experimental measurements after considering the ion Joule heating, which shows that the Joule heating of ions is crucial for the heating of the arc plasma. Secondly, by comparing the radial distribution of electron and ion density inside the cathode, the structure of the cathode sheath could be simulated well using this model. Finally, it was shown that the thermal radiation from the cathode surface is an important cooling mechanism of the cathode and only under higher surface emissivity can balance the larger heat flow given by the plasma to the cathode, and the temperature distribution of the cathode shows a non-monotonic increasing trend and is consistent with the profile of experimental measurement so that the so-called active zone is formed. In Chapter 4, the power deposition in the low-pressure HCA was studied in simulation. Two main aspects were considered: the power deposition into particles (both electrons and heavy particles) and the power deposition onto the cathode. It was found that the deposited power into particles increases with the rise of discharge current, but there is no effect on the total power deposition onto the cathode. In high-density plasmas, Coulomb collisions between electrons and ions also become very important, especially since a portion of the deposition energy on heavy particles comes mainly from the energy transfer from electrons to ions. It was also found that regardless of external parameters, half of the power deposition onto the cathode always comes from the particle contribution, while the other half is the net contribution of heat transfer and cathode radiation. The HCA model also allows the simulation of multiple discharge modes for low-pressure HCA discharges over a wide range of gas flow rates. It was also shown that the discharge operating conditions and the external magnetic field can change the distribution of the particle flow on the cathode wall. In Chapter 5, the ion sputtering erosion process on the cathode was simulated by coupling the HCA numerical model with the moving grid technique. The results showed that the ion sputtering erosion on the cathode depends on the ion flux and the plasma potential near the cathode wall and that their distribution and magnitude jointly determine the erosion morphology of the cathode. It was also found that the location of the most severe erosion on the cathode is located in the region of the densest ion flux on the cathode wall, rather than in the longitudinal correspondence with the central region of the internal positive column (IPC). The external magnetic fields can mitigate the cathode erosion and reduce the erosion depth, but stronger magnetic fields lead to a concentration of current density at the cathode tip, which can enhance erosion slightly at the cathode outlet end. Finally, the conclusions and innovation highlights were summarized, and prospects for future work were discussed.  
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  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:178725 Serial 8323  
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Author Alloul, A.; Cerruti, M.; Adamczyk, D.; Weissbrodt, D.G.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Operational strategies to selectively produce purple bacteria for microbial protein in raceway reactors Type A1 Journal article
  Year 2021 Publication Environmental Science & Technology Abbreviated Journal Environ Sci Technol  
  Volume 55 Issue 12 Pages 8278-8286  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Purple non-sulfur bacteria (PNSB) show potential for microbial protein production on wastewater as animal feed. They offer good selectivity (i.e., low microbial diversity and high abundance of one species) when grown anaerobically in the light. However, the cost of closed anaerobic photobioreactors is prohibitive for protein production. Although open raceway reactors are cheaper, their feasibility to selectively grow PNSB is thus far unexplored. This study developed operational strategies to boost PNSB abundance in the biomass of a raceway reactor fed with volatile fatty acids. For a flask reactor run at a 2 day sludge retention time (SRT), matching the chemical oxygen demand (COD) loading rate to the removal rate in the light period prevented substrate availability during the dark period and increased the PNSB abundance from 50-67 to 88-94%. A raceway reactor run at a 2 day SRT showed an increased PNSB abundance from 14 to 56% when oxygen supply was reduced (no stirring at night). The best performance was achieved at the highest surface-to-volume ratio (10 m(2) m(-3) increased light availability) showing productivities up to 0.2 g protein L-1 day(-1) and a PNSB abundance of 78%. This study pioneered in PNSB-based microbial protein production in raceway reactors, yielding high selectivity while avoiding the combined availability of oxygen, COD, and darkness.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000663939900051 Publication Date 2021-06-04  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0013-936x; 1520-5851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.198 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 6.198  
  Call Number UA @ admin @ c:irua:179768 Serial 8334  
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Author Van Tendeloo, M.; Xie, Y.; Van Beeck, W.; Zhu, W.; Lebeer, S.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Oxygen control and stressor treatments for complete and long-term suppression of nitrite-oxidizing bacteria in biofilm-based partial nitritation/anammox Type A1 Journal article
  Year 2021 Publication Bioresource Technology Abbreviated Journal Bioresource Technol  
  Volume 342 Issue Pages 125996  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Mainstream nitrogen removal by partial nitritation/anammox (PN/A) can realize energy and cost savings for sewage treatment. Selective suppression of nitrite oxidizing bacteria (NOB) remains a key bottleneck for PN/A implementation. A rotating biological contactor was studied with an overhead cover and controlled air/N2 inflow to regulate oxygen availability at 20 °C. Biofilm exposure to dissolved oxygen concentrations < 0.51 ± 0.04 mg O2 L-1 when submerged in the water and < 1.41 ± 0.31 mg O2 L-1 when emerged in the headspace (estimated), resulted in complete and long-term NOB suppression with a low relative nitrate production ratio of 10 ± 4%. Additionally, weekly biofilm stressor treatments with free ammonia (FA) (29 ± 1 mg NH3-N L-1 for 3 h) could improve the NOB suppression while free nitrous acid treatments had insufficient effect. This study demonstrated the potential of managing NOB suppression in biofilm-based systems by oxygen control and recurrent FA exposure, opening opportunities for resource efficient nitrogen removal.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000704455300005 Publication Date 2021-09-21  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0960-8524 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.651 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.651  
  Call Number UA @ admin @ c:irua:181301 Serial 8355  
Permanent link to this record
 

 
Author Gielis, J. pdf  url
doi  openurl
  Title Phi-bonacci in Ancient Greece Type A1 Journal article
  Year 2021 Publication Symmetry : culture and science Abbreviated Journal  
  Volume 32 Issue 1 Pages 25-40  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Fibonacci numbers are a very popular subject in mathematics, culture and science. A major open question is why the ancient Greeks overlooked this series, while they were very familiar with the golden mean and division in extreme and mean ratio. Furthermore, they could compute the square root of five to a high degree of precision using Theon 's ladder. This fact is based on tables built with side and diagonal numbers, and it is a simple and incredibly efficient method to compute roots of integers, though it is little known even now among most of the experts. The biologist D 'Arcy Wentworth Thompson showed that the same method could be used to generate the Fibonacci series using a simple shift in the computation of the tables. He argues, quite convincingly, that the ancient Greeks could not have overlooked this. Actually, the same method can be used to generate all possible regular phyllotaxis patterns.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000643822700002 Publication Date 2021-03-30  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0865-4824 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:178322 Serial 8376  
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Author Van Hal, M. url  openurl
  Title Photo(electro)catalytic air purification and soot degradation with simultaneous energy recovery Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages XXXII, 203 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Today’s society is increasingly challenged by a range of urgent environmental problems. Air pollution is one of these pressing topics. This thesis will mainly focus on the degradation of volatile organic compounds (VOCs) and particulate matter (PM) – more specifically soot. A second globally urging topic is the quest for sustainable energy production. To simultaneously target both environmental problems, a photoelectrochemical (PEC) cell will be studied in this thesis, combining air purification and sustainable energy production in a single device. Photocatalysis is used at the anode of the PEC cell to drive the air purification process, while the energy contained in the degraded compounds is (partially) recovered at the cathode, either as H2 gas or electricity. The first two experimental chapters focus on the proof of concept of such an unbiased all-gas phase PEC cell targeting VOC degradation, using both TiO2- and WO3-based photocatalysts. In the two following experimental chapters the photocatalytic soot oxidation capacity of these TiO2- and WO3-based photocatalysts was studied. In the final experimental chapter the previously obtained results were combined, striving towards an efficient, sunlight-driven and soot-degrading waste gas-to-energy PEC cell.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:184521 Serial 8378  
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Author Dubinina, T.; Maklakov, S.; Petrusevich, E.; Borisova, N.E.; Trashin, S.A.; De Wael, K.; Tomilova, L.G. url  doi
openurl 
  Title Photoactive layers for photovoltaics based on near-infrared absorbing aryl-substituted naphthalocyanine complexes : preparation and investigation of properties Type A1 Journal article
  Year 2021 Publication New Journal Of Chemistry Abbreviated Journal New J Chem  
  Volume 45 Issue 32 Pages 14815-14821  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Photoactive layers based on aryl- and aryloxy-substituted naphthalocyanines and conductive polymer poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were prepared using the spin-coating technique and their conductivity was tested in dark and under illumination. For this purpose novel octa-2-naphthoxy-substituted naphthalocyanines were synthesized starting from 6,7-di(2-naphthoxy)naphthalene-2,3-dicarbonitrile. For those novel naphthalocyanine complexes, spectral and electrochemical data were measured and compared with corresponding ones for other aryl-substituted analogues. In comparison to the previously studied naphthalocyanines with alkyl- and phenyl- groups, the formal oxidation and reduction potentials were rather similar. All target complexes demonstrate intense near-infrared absorption at 760-790 nm, which is about 30 nm bathochromically shifted in thin films. The photo-resistive effect was found increasing from composites comprised of naphthoxy- to phenyl-substituted naphthalocyanines. This peculiarity was explained by using optical and atomic force microscopy in terms of different sizes of aggregates formed. The photo-response time for novel composited was approximately 3 s, which is about 20 times faster than measured previously for the films deposited via the drop-casting technique.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000680389800001 Publication Date 2021-07-23  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.269 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.269  
  Call Number UA @ admin @ c:irua:179884 Serial 8379  
Permanent link to this record
 

 
Author Van Tendeloo, M.; Bundervoet, B.; Carlier, N.; Van Beeck, W.; Mollen, H.; Lebeer, S.; Colsen, J.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Piloting carbon-lean nitrogen removal for energy-autonomous sewage treatment Type A1 Journal article
  Year 2021 Publication Environmental Science-Water Research & Technology Abbreviated Journal Environ Sci-Wat Res  
  Volume 7 Issue 12 Pages 2268-2281  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Energy-autonomous sewage treatment can be achieved if nitrogen (N) removal does not rely on organic carbon (∼chemical oxygen demand, COD), so that a maximum of the COD can be redirected to energy recovery. Shortcut N removal technologies such as partial nitritation/anammox and nitritation/denitritation are therefore essential, enabling carbon- and energy-lean nitrogen removal. In this study, a novel three-reactor pilot design was tested and consisted of a denitrification, an intermittent aeration, and an anammox tank. A vibrating sieve was added for differential sludge retention time (SRT) control. The 13 m3 pilot was operated on pre-treated sewage (A-stage effluent) at 12–24 °C. Selective suppression of unwanted nitrite-oxidizing bacteria over aerobic ammonium-oxidizing bacteria was achieved with strict floccular SRT management combined with innovative aeration control, resulting in a minimal nitrate production ratio of 17 ± 10%. Additionally, anoxic ammonium-oxidizing bacteria (AnAOB) activity could be maintained in the reactor for at least 150 days because of long granular SRT management and the anammox tank. Consequently, the COD/N removal ratio of 2.3 ± 0.7 demonstrated shortcut N removal almost three times lower than the currently applied nitrification/denitrification technology. The effluent total N concentrations of 17 ± 3 mg TN per L (at 21 ± 1 °C) and 17 ± 6 mg TN per L (at 15 ± 1 °C) were however too high for application at the sewage treatment plant Nieuwveer (Breda, The Netherlands). Corresponding N removal efficiencies were 52 ± 12% and 37 ± 21%, respectively. Further development should focus on redirecting more nitrite to AnAOB in the B-stage, exploring effluent-polishing options, or cycling nitrate for increased A-stage denitrification.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000714159900001 Publication Date 2021-10-29  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 2053-1400 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.817 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.817  
  Call Number UA @ admin @ c:irua:183347 Serial 8383  
Permanent link to this record
 

 
Author Wang, F.; Wang, C.; Chaves, A.; Song, C.; Zhang, G.; Huang, S.; Lei, Y.; Xing, Q.; Mu, L.; Xie, Y.; Yan, H. doi  openurl
  Title Prediction of hyperbolic exciton-polaritons in monolayer black phosphorus Type A1 Journal article
  Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun  
  Volume 12 Issue 1 Pages 5628  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Hyperbolic polaritons exhibit large photonic density of states and can be collimated in certain propagation directions. The majority of hyperbolic polaritons are sustained in man-made metamaterials. However, natural-occurring hyperbolic materials also exist. Particularly, natural in-plane hyperbolic polaritons in layered materials have been demonstrated in MoO3 and WTe2, which are based on phonon and plasmon resonances respectively. Here, by determining the anisotropic optical conductivity (dielectric function) through optical spectroscopy, we predict that monolayer black phosphorus naturally hosts hyperbolic exciton-polaritons due to the pronounced in-plane anisotropy and strong exciton resonances. We simultaneously observe a strong and sharp ground state exciton peak and weaker excited states in high quality monolayer samples in the reflection spectrum, which enables us to determine the exciton binding energy of similar to 452 meV. Our work provides another appealing platform for the in-plane natural hyperbolic polaritons, which is based on excitons rather than phonons or plasmons.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000698984500003 Publication Date 2021-10-12  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:191688 Serial 8404  
Permanent link to this record
 

 
Author Bulut, P.; Beceren, B.; Yildirim, S.; Sevik, C.; Gurel, T. doi  openurl
  Title Promising room temperature thermoelectric conversion efficiency of zinc-blende AgI from first principles Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 1 Pages 015501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The theoretical investigation on structural, vibrational, and electronic properties of zinc-blende (ZB) AgI were carried out employing first principles density functional theory calculations. Thermoelectric properties then were predicted through semi-classical Boltzmann transport equations within the constant relaxation time approximation. Equilibrium lattice parameter, bulk modulus, elastic constants, and vibrational properties were calculated by using generalized gradient approximation. Calculated properties are in good agreement with available experimental values. Electronic and thermoelectric properties were investigated both with and without considering spin-orbit coupling (SOC) effect which is found to have a strong influence on p-type Seebeck coefficient as well as the power factor of the ZB-AgI. By inclusion of SOC, a reduction of the band-gap and p-type Seebeck coefficients as well as the power factor was found which is the indication of that spin-orbit interaction cannot be ignored for p-type thermoelectric properties of the ZB-AgI. By using deformation potential theory for electronic relaxation time and experimentally predicted lattice thermal conductivity, we obtained aZTvalue 1.69 (0.89) at 400 K for n-type (p-type) carrier concentration of 1.5 x 10(18)(4.6 x10(19)) cm(-3)that makes ZB-AgI as a promising room temperature thermoelectric material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000577217600001 Publication Date 2020-09-14  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.649 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:193762 Serial 8425  
Permanent link to this record
 

 
Author Mudronja, D.; Vanmeert, F.; Fazinic, S.; Janssens, K.; Tibljas, D.; Desnica, V. url  doi
openurl 
  Title Protection of stone monuments using a brushing treatment with ammonium oxalate Type A1 Journal article
  Year 2021 Publication Coatings Abbreviated Journal Coatings  
  Volume 11 Issue 4 Pages 379  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Stone monuments and buildings are susceptible to weathering. Carbonate-based stones are especially vulnerable in acidic environments, whereas magmatic acidic stones are more susceptible to chemical weathering in basic environments. To slow down surface corrosion of limestone and marble artworks/buildings, protective coatings which inhibit calcite dissolution have been proposed. In this work, samples from two stone types with different porosity were treated with ammonium oxalate (AmOx) to create a protective layer of calcium oxalate (CaOx) using the previously developed brushing method. Two different synchrotron microscopy experiments were performed to determine its protective capability. X-ray powder diffraction (SR-mu-XRPD) in transmission geometry allowed visualization of the distributions of calcium carbonate and oxalates along the sample depths. In a second step, X-ray fluorescence (SR-mu-XRF) was used to check the efficiency/integrity of the protective surface coating layer. This was done by measuring the sulfur distribution on the stone surface after exposing the protected stones to sulfuric acid. XRPD showed the formation of a protective oxalate layer with a thickness of 5-15 mu m on the less porous stone, while a 20-30 mu m thick layer formed on the more porous stone. The XRF study showed that the optimal treatment time depends on the stone porosity. Increasing the treatment time from 1 to 3 h resulted in a decreased efficiency of the protective layer for the low porosity stone. We assume that this is due to the formation of vertical channels (cracks) in the protective layer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000642940900001 Publication Date 2021-03-25  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 2079-6412 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.175 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.175  
  Call Number UA @ admin @ c:irua:178271 Serial 8428  
Permanent link to this record
 

 
Author Alloul, A.; Wille, M.; Lucenti, P.; Bossier, P.; Van Stappen, G.; Vlaeminck, S.E. pdf  url
doi  openurl
  Title Purple bacteria as added-value protein ingredient in shrimp feed : Penaeus vannamei growth performance, and tolerance against Vibrio and ammonia stress Type A1 Journal article
  Year 2021 Publication Aquaculture Abbreviated Journal Aquaculture  
  Volume 530 Issue Pages 735788  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Aquafeeds contain protein ingredients such as fishmeal and soybean meal, yet their production puts pressure on the environment. Finding novel protein sources such as dried microbial biomass produced on recovered or renewable resources, so-called single-cell protein or microbial protein, can contribute to a more sustainable aquaculture industry. New microbial protein sources are emerging with photoheterotrophic grown purple non‑sulfur bacteria (PNSB) showing high potential, yet research of PNSB as added-value protein ingredient is limited. This research studied their use as a protein source for the white leg shrimp (Penaeus vannamei) and investigated the shrimp's tolerance against Vibrio and ammonia stress. A 28-day shrimp feeding trial was performed with a commercial formulation without PNSB as experimental control (diet i), two pure PNSB species, namely Rhodopseudomonas palustris (diets ii-iii), Rhodobacter capsulatus (diets iv-v) at two protein inclusion levels of 5 and 11 g PNSBprotein 100 g−1 feedprotein and a PNSB enriched culture at a protein inclusion level of 11 g PNSBprotein 100 g−1 feedprotein (diet vi). For the shrimp fed with Rb. capsulatus, 5–25% higher individual weights (p < .05) and better feed conversion ratios were observed relative to the commercial diet (1.3–1.4 vs. control 1.7 g feed g−1 biomass; p < .05). The diet containing Rps. palustris at 5 g PNSBprotein 100 g−1 feedprotein inclusion also showed higher individual weights (26%, p < .05) and a better feed conversion ratio compared to the commercial feed (1.3 vs. control 1.7 g feed g−1 biomass; p < .05). The challenge test subsequent to the feeding trial showed a higher tolerance against ammonia (3 mg N L−1) for shrimp fed with Rps. palustris (survival 63–75% vs. 8% commercial diet; p < .05). For a post-feeding challenge test with Vibrio parahaemolyticus TW01, mortality rates were equal among all treatments. Yet, in vitro tests in 96-Well plates and agar spot assays showed that the PNSB species (i) Rps. palustris, (ii) Rb. capsulatus, (iii) Rb. sphaeroides, (iv) Rhodospirillum rubrum and (v) Afifella marina suppressed the pathogens V. parahaemolyticus TW01 and V. campbellii LMG 21363. Overall, this study demonstrated the potential of PNSB as an added-value protein ingredient in shrimp nursery feed. This can contribute to a circular economy, as PNSB can be cultivated on recovered or renewable resources (e.g. wastewater).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582169700073 Publication Date 2020-08-08  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0044-8486 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.57 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.57  
  Call Number UA @ admin @ c:irua:170549 Serial 8429  
Permanent link to this record
 

 
Author Verlinden, B.; Van Hoecke, K.; Aerts, A.; Daems, N.; Dobney, A.; Janssens, K.; Cardinaels, T. doi  openurl
  Title Quantification of boron in cells for evaluation of drug agents used in boron neutron capture therapy Type A1 Journal article
  Year 2021 Publication Journal Of Analytical Atomic Spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 36 Issue 3 Pages 598-606  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Boron neutron capture therapy (BNCT) is an extensively studied radiotherapeutic strategy for cancer treatment. BNCT is based on irradiation of malignant tumour cells with neutrons after uptake of a B-10 containing molecule. Alpha particles, locally produced by neutron irradiation kill the cancer cells. Important for ongoing research regarding cellular uptake and cytotoxicity of a large variety of B-10 containing molecules is the accurate determination of boron concentrations in cell cultures. In this work, the sample preparation for quantitative inductively coupled plasma mass spectrometry (ICP-MS) analysis on cell cultures was optimized. By making use of acid digestion combined with UV digestion, low detection limits (0.4 mu g L-1) and full recoveries of boron could be achieved while measurements were free of spectral and non-spectral interferences. Finally, cell-associated boron in the form of 4-borono-l-phenylalanine (l-BPA) in vascular endothelial cell cultures could be determined with ICP-MS as (1.26 +/- 0.10) x 10(9) boron atoms per cell. The developed method can prove its importance for further BNCT research and elemental analysis of cell cultures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000629283400009 Publication Date 2021-01-14  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.379  
  Call Number UA @ admin @ c:irua:177656 Serial 8435  
Permanent link to this record
 

 
Author Al-Emam, E.; Beltran, V.; De Meyer, S.; Nuyts, G.; Wetemans, V.; De Wael, K.; Caen, J.; Janssens, K. url  doi
openurl 
  Title Removal of a past varnish treatment from a 19th-century Belgian wall painting by means of a solvent-loaded double network hydrogel Type A1 Journal article
  Year 2021 Publication Polymers Abbreviated Journal Polymers-Basel  
  Volume 13 Issue 16 Pages 2651-20  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract Polymeric materials have been used by painting conservator-restorers as consolidants and/or varnishes for wall paintings. The application of these materials is carried out when confronting loose paint layers or as a protective coating. However, these materials deteriorate and cause physiochemical alterations to the treated surface. In the past, the monumental neo-gothic wall painting 'The Last Judgment' in the chapel of Sint-Jan Berchmanscollege in Antwerp, Belgium was treated with a synthetic polymeric material. This varnish deteriorated significantly and turned brown, obscuring the paint layers. Given also that the varnish was applied to some parts of the wall painting and did not cover the entire surface, it was necessary to remove it in order to restore the original appearance of the wall painting. Previous attempts carried out by conservator-restorers made use of traditional cleaning methods, which led to damage of the fragile paint layers. Therefore, gel cleaning was proposed as a less invasive and more controllable method for gently softening and removing the varnish. The work started by identifying the paint stratigraphy and the deteriorated varnish via optical microscopy (OM), scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDX), X-ray diffraction (XRD), and Fourier-transform infrared (FTIR) spectroscopy. A polyvinyl alcohol-borax/agarose (PVA-B/AG) hydrogel loaded with a number of solvents/solvent mixtures was employed in a series of tests to select the most suitable hydrogel composite. By means of the hydrogel composite loaded with 10% propylene carbonate, it was possible to safely remove the brown varnish layer. The results were verified by visual examinations (under visible light 'VIS' and ultraviolet light 'UV') as well as OM and FTIR spectroscopy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000690248000001 Publication Date 2021-08-10  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 2073-4360 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.364 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.364  
  Call Number UA @ admin @ c:irua:181567 Serial 8470  
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Author Parchomenko, A.; Nelen, D.; Gillabel, J.; Vrancken, K.C.M.; Rechberger, H. url  doi
openurl 
  Title Resource effectiveness of the European automotive sector : a statistical entropy analysis over time Type A1 Journal article
  Year 2021 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy  
  Volume 169 Issue Pages 105558  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The European automotive sector is faced with potentially disruptive challenges. In particular, the projected increase in the share of electric vehicles (EVs) and calls to prepare for the implementation of more circular economy (CE) strategies are increasingly demanding systemic adaptations. Given the goals of the CE, the adaptations should enable a maximal preservation of the function and value of products (e.g. extension of lifetime), components (e.g. reuse of parts) and materials (e.g., material recycling), thus saving on the energy, materials and effort that would be required to restore the lost functionalities. In this context, statistical entropy analysis (SEA) is proposed as a methodology to assess the effort needed for preserving and restoring functionality at different product, component and material life cycle stages. Effort is measured as changes in statistical entropy that are caused by concentration and dilution activities in the production – consumption – End-of-Life (EoL) system. SEA was applied to a generic model of the European automotive system, in combination with a stock-driven model and a material flow analysis (MFA), allowing statistical entropy changes to be projected over time. The paper demonstrates how SEA can facilitate decision making on the transition towards a more circular economy by quantifying the effects of particular CE strategies and their combinations. The results show that without any additional system adaptations, an increasing share of EVs towards the year 2050 will lead to substantially increased effort in production as well as end-of-life vehicle treatment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000657320800074 Publication Date 2021-03-18  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.313 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.313  
  Call Number UA @ admin @ c:irua:179770 Serial 8475  
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Author Bal, K.M. pdf  url
doi  openurl
  Title Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work Type A1 Journal article
  Year 2021 Publication Journal Of Chemical Theory And Computation Abbreviated Journal J Chem Theory Comput  
  Volume 17 Issue 11 Pages 6766-6774  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000718183600008 Publication Date 2021-10-29  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.245 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.245  
  Call Number UA @ admin @ c:irua:184676 Serial 8479  
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Author Daems, E. url  openurl
  Title Shaping up oligonucleotides : aptamer-target recognition investigated by native mass spectrometry Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages 235 p.  
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Aptamers are short, synthetic DNA or RNA molecules that are characterized by a specific 3D conformation which enables specific target recognition. Aptamers are promising tools in many application fields from sensing to therapeutics. One of the major challenges in the aptamer field is understanding the relationship between the sequence and what determines the higher-order structure and specific interactions with targets. Therefore, this PhD thesis focuses on the use of different mass spectrometry (MS) based approaches to characterize aptamers and their interactions. Several of these approaches are already widely applied to study other biomolecules, such as proteins, but are still largely unexplored for aptamers and oligonucleotides in general. A first focus was put on obtaining information on the higher-order structure and conformational stability of aptamers using a combination of MS and with ion mobility (IM) spectrometry by performing collision-induced unfolding (CIU) experiments. CIU was shown to hold great promise to analyze the conformational dynamics and gas-phase stabilities of aptamers. Next, the capabilities and limitations of native IM-MS for the analysis of noncovalent interactions of aptamers were demonstrated. The conformational behavior and interactions of cocaine-binding aptamers were studied and it was found that relative binding affinities of aptamers that only differ slightly in sequence and structure can be determined using native MS. Moreover, native IM-MS allowed the detection of small conformational changes upon binding of a target, which were found to be dependent on the binding mode of the aptamer. An adaptive binding mechanism was suggested for flexible aptamers that require more reorganization upon binding. In the final part of this thesis, the importance of thoroughly characterizing and validating aptamer-target interactions before using them in an application was emphasized. Moreover, the gathered insights were applied in our own development of a proof-of-concept aptamer-based sensor. This was shown by investigating the interactions of ampicillin aptamers which were found to not bind the target they were selected for in the first place. A multi-analytical approach combining complementary techniques was used for this purpose since no single technique is generally applicable to characterize all aptamers and their interactions and to obtain a comprehensive picture of the aptamer-target interactions. Furthermore, such multi-analytical approach was used to characterize a testosterone-binding aptamer while developing an aptamer-based electrochemiluminescent sensing strategy for this target. This shows the importance of native MS, in combination with other techniques, to thoroughly understand the aptamer-target interactions in the development of a designed application.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:178116 Serial 8517  
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Author Chaves, A.; Sousa, G.O.; Khaliji, K.; da Costa, D.R.; Farias, G.A.; Low, T. url  doi
openurl 
  Title Signatures of subband excitons in few-layer black phosphorus Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 103 Issue 16 Pages 165428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recent experimental measurements of light absorption in few-layer black phosphorus (BP) revealed a series of high and sharp peaks, interspersed by pairs of lower and broader features. Here, we propose a theoretical model for these excitonic states in few-layer BP within a continuum approach for the in-plane degrees of freedom and a tight-binding approximation that accounts for interlayer couplings. This yields excitonic transitions between different combinations of the subbands created by the coupled BP layers, which leads to a series of high and low oscillator strength excitonic states, consistent with the experimentally observed bright and dark exciton peaks, respectively. The main characteristics of such subband exciton states, as well as the possibility to control their energies and oscillator strengths via applied electric and magnetic fields, are discussed, towards a full understanding of the excitonic spectrum of few-layer BP and its tunability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000647175200002 Publication Date 2021-04-28  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:178384 Serial 8523  
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Author Schalm, O.; Nuyts, G.; Janssens, K. pdf  url
doi  openurl
  Title Some critical observations about the degradation of glass : the formation of lamellae explained Type A1 Journal article
  Year 2021 Publication Journal Of Non-Crystalline Solids Abbreviated Journal J Non-Cryst Solids  
  Volume 569 Issue Pages 120984  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract This study demonstrates that the mechanism responsible for the transformation of glass into a degradation layer is pH-dependent. In acid conditions, the transformed glass is homogeneous and brittle. In mild alkaline conditions, transformed glass is heterogeneous due to the presence of lamellae composed of silica nanoparticles and the occurrence of Ca-rich inclusions. The fundamental difference between acid and alkaline conditions cannot be explained by the currently accepted degradation mechanism based on ion exchange. To explain this critical observation, we propose a refined degradation mechanism based on existing knowledge that involves several inwardly moving reaction fronts. The fronts responsible for the transformation of the silicate network into amorphous silica are also responsible for the morphology of the transformed glass. We have identified the feedback mechanism that explains the formation of lamellae in alkaline conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000674487200009 Publication Date 2021-06-20  
  Series Editor Series Title Abbreviated Series Title (up)  
  Series Volume Series Issue Edition  
  ISSN 0022-3093 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.124 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.124  
  Call Number UA @ admin @ c:irua:179835 Serial 8551  
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