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	Author	Khelifi, S.; Brammertz, G.; Choubrac, L.; Batuk, M.; Yang, S.; Meuris, M.; Barreau, N.; Hadermann, J.; Vrielinck, H.; Poelman, D.; Neyts, K.; Vermang, B.; Lauwaert, J.
	Title	The path towards efficient wide band gap thin-film kesterite solar cells with transparent back contact for viable tandem application			Type	A1 Journal article
	Year	2021	Publication	Solar Energy Materials And Solar Cells	Abbreviated Journal	Sol Energ Mat Sol C
	Volume	219	Issue		Pages	110824
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Wide band gap thin-film kesterite solar cell based on non-toxic and earth-abundant materials might be a suitable candidate as a top cell for tandem configuration in combination with crystalline silicon as a bottom solar cell. For this purpose and based on parameters we have extracted from electrical and optical characterization techniques of Cu2ZnGeSe4 absorbers and solar cells, a model has been developed to describe the kesterite top cell efficiency limitations and to investigate the different possible configurations with transparent back contact for fourterminal tandem solar cell application. Furthermore, we have studied the tandem solar cell performance in view of the band gap and the transparency of the kesterite top cell and back contact engineering. Our detailed analysis shows that a kesterite top cell with efficiency > 14%, a band gap in the range of 1.5-1.7 eV and transparency above 80% at the sub-band gaps photons energies are required to achieve a tandem cell with higher efficiency than with a single silicon solar cell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000591683500002	Publication Date	2020-10-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-0248	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.784	Times cited		Open Access	OpenAccess
	Notes	The authors would like to acknowledge the SWInG project financed by the European Union’s Horizon 2020 research and innovation programme under grant agreement No 640868 and the Research Foundation Flanders-Hercules Foundation (FWO-Vlaanderen, project No AUGE/13/16:FT-IMAGER).			Approved	Most recent IF: 4.784
	Call Number	EMAT @ emat @c:irua:174337			Serial	6706
Permanent link to this record



	Author	Ryabova, A.S.; Istomin, S.Y.; Dosaev, K.A.; Bonnefont, A.; Hadermann, J.; Arkharova, N.A.; Orekhov, A.S.; Sena, R.P.; Saveleva, V.A.; Kerangueven, G.; Antipov, E., V.; Savinova, E.R.; Tsirlina, G.A.
	Title	Mn₂O₃ oxide with bixbyite structure for the electrochemical oxygen reduction reaction in alkaline media : highly active if properly manipulated			Type	A1 Journal article
	Year	2021	Publication	Electrochimica Acta	Abbreviated Journal	Electrochim Acta
	Volume	367	Issue		Pages	137378
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We consider compositional and structural factors which can affect the activity of bixbyite alpha-Mn2O3 towards the oxygen reduction reaction (ORR) and the stability of this oxide in alkaline solution. We compare electrochemistry of undoped, Fe and Al-doped alpha-Mn2O3 with bixbyite structure and braunite Mn7SiO12 having bixbyite-related crystal structure, using the rotating disk electrode (RDE), the rotating ring-disk electrode (RRDE), and cyclic voltammetry (CV) techniques. All manganese oxides under study are stable in the potential range between the ORR onset and ca. 0.7 V vs. Reversible Hydrogen Electrode (RHE). It is found that any changes introduced in the bixbyite structure and/or composition of alpha-Mn2O3 lead to an activity drop in both the oxygen reduction and hydrogen peroxide reactions in this potential interval. For the hydrogen peroxide reduction reaction these modifications also result in a change in the nature of the rate-determining step. The obtained results confirm that due to its unique crystalline structure undoped alpha-Mn2O3 is the most ORR active (among currently available) Mn oxide catalyst and favor the assumption of the key role of the (111) surface of alpha-Mn2O3 in the very high activity of this material towards the ORR. (C) 2020 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000607621500013	Publication Date	2020-10-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.798
	Call Number	UA @ admin @ c:irua:176080			Serial	6731
Permanent link to this record



	Author	Stefan, G.; Hosu, O.; De Wael, K.; Jesus Lobo-Castanon, M.; Cristea, C.
	Title	Aptamers in biomedicine : selection strategies and recent advances			Type	A1 Journal article
	Year	2021	Publication	Electrochimica Acta	Abbreviated Journal	Electrochim Acta
	Volume	376	Issue		Pages	137994
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Aptamers have come in the spotlight as bio-mimetic molecular recognition elements in the field of biomedicine due to various applications in diagnostics, drug delivery, therapeutics, and pharmaceutical analysis. Aptamers are composed of nucleic acid strands (DNA or RNA) that can specifically interact in a three-dimensional tailored design with the target molecule. The basic method to generate aptamers is Systematic Evolution of Ligands by Exponential Enrichment (SELEX). Recent technological advances in aptamer selection allow for faster and cheaper production of a new generation of high-affinity aptamers compared to the traditional SELEX, which can last up to several months. Rigorous characterization performed by multiple research groups endorsed several well-defined aptamer sequences. Binding affinity, nature of the biomolecular interactions and structural characterization are of paramount importance for aptamer screening and development of applications. However, remarkable challenges still need to be dealt with before the aptamers can make great contributions to the biomedical field. Poor specificity and sensitivity, questionable clinical use, low drug loading, in vivo stability and toxicity are only some of the identified challenges. This review accounts for the 30th celebration of the SELEX technology underlining the most important aptamers' achievements in the biomedical field within mostly the past five years. Aptamers' advantages over antibodies are discussed. Because of potential clinical translational utility, insights of remarkable developments in aptamer-based methods for diagnosis and monitoring of disease biomarkers and pharmaceuticals are discussed focusing on the recent studies (2015-2020). The current challenges and promising opportunities for aptamers for therapeutic and theragnostic purposes are also presented. (C) 2021 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000634761900003	Publication Date	2021-02-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.798
	Call Number	UA @ admin @ c:irua:177677			Serial	7491
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	Author	Schram, J.; Thiruvottriyur Shanmugam, S.; Sleegers, N.; Florea, A.; Samyn, N.; van Nuijs, A.L.N.; De Wael, K.
	Title	Local conversion of redox inactive molecules into redox active ones : a formaldehyde based strategy for the electrochemical detection of illicit drugs containing primary and secondary amines			Type	A1 Journal article
	Year	2021	Publication	Electrochimica Acta	Abbreviated Journal	Electrochim Acta
	Volume	367	Issue		Pages	137515
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
	Abstract	Electrochemical techniques have evidenced to be highly suitable for the development of portable, rapid and accurate screening methods for the detection of illicit drugs in seized samples. However, the redox inactivity of primary amines, one of the most common functional groups of illicit drugs, masks voltammetric detection in aqueous environment at carbon electrodes and, therefore, leads to false negative results if only these primary amines are present in the structures. This work explores the feasibility of a derivatisation approach that introduces formaldehyde in the measuring conditions in order to achieve methylation, via an Eschweiler-Clarke mechanism, of illicit drugs containing primary and secondary amines, using amphetamine (AMP) and methamphetamine (MET) as model molecules. As a result the electrochemical fingerprint is enriched and thereby the detectability enhanced. A combination of liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOFMS) and square-wave voltammetric (SWV) measurements is employed to identify reaction products and link them to the observed redox peaks. Although an alkaline environment (pH 12.0) proved to increase the reaction yield, a richer electrochemical fingerprint (EF) is obtained in neutral conditions (pH 7.0). Similarly, the addition of formate improved the reaction conversion but reduced the EF by eliminating a redox peak that is attributed to side products formed in the absence of formate. To illustrate the applicability, the derivatisation strategy is applied to several prominent illicit drugs containing primary and secondary amines to demonstrate its EF enriching capabilities. Finally, real street samples from forensic seizures are analysed. Overall, this strategy unlocks the detectability of the hitherto undetectable AMP and other drugs only containing primary amines, while strongly facilitating the identification of MET and analogues. These findings are not limited to illicit drugs, the insights can ultimately be applied to other target molecules containing similar functional groups. (C) 2020 Published by Elsevier Ltd.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000607620700010	Publication Date	2020-11-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.798
	Call Number	UA @ admin @ c:irua:176083			Serial	8177
Permanent link to this record



	Author	Mendonça, C.D.; Khan, S.U.; Rahemi, V.; Verbruggen, S.W.; Machado, S.A.S.; De Wael, K.
	Title	Surface plasmon resonance-induced visible light photocatalytic TiO₂ modified with AuNPs for the quantification of hydroquinone			Type	A1 Journal article
	Year	2021	Publication	Electrochimica Acta	Abbreviated Journal	Electrochim Acta
	Volume	389	Issue		Pages	138734
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The impregnation of size-controlled gold nanoparticles (AuNPs) on an anatase TiO2 structure (AuNPs@TiO2) was studied for the photoelectrochemical detection of hydroquinone (HQ) under visible light illumination integrated into a flow injection analysis (FIA) setup. The crystalline form of TiO2 was preserved during synthesis and the homogeneous distribution of AuNPs over the TiO2 structure was confirmed. Its photoelectrocatalytic activity was improved due to the presence of AuNPs, preventing charge recombination in TiO2 and improving its light absorption ability by the surface plasmon resonance effect (SPR). The FIA system was used in order to significantly reduce the electrode fouling during electroanalysis through periodic washing steps of the electrode surface. During the amperometric detection process, reactive oxygen species (ROS), generated by visible light illumination of AuNPs@TiO2, participate in the oxidation process of HQ. The reduction of the oxidized form of HQ, i.e. benzoquinone (BQ) occurs by applying a negative potential and the measurable amperometric response will be proportional to the initial HQ concentration. The influencing parameters on the response of the amperometric photocurrent such as applied potential, flow rate and pH were investigated. The linear correlation between the amperometric response and the concentration of HQ was recorded (range 0.0125 – 1.0 µM) with a limit of detection (LOD) of 33.8 nM and sensitivity of 0.22 A M−1 cm−2. In this study, we illustrated for the first time that the impregnation of AuNPs in TiO2 allows the sensitive detection of phenolic substances under green laser illumination by using a photoelectrochemical flow system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000687283100018	Publication Date	2021-06-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.798
	Call Number	UA @ admin @ c:irua:178908			Serial	8626
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	Author	Yin, L.; Juneja, R.; Lindsay, L.; Pandey, T.; Parker, D.S.
	Title	Semihard iron-based permanent-magnet materials			Type	A1 Journal article
	Year	2021	Publication	Physical Review Applied	Abbreviated Journal	Phys Rev Appl
	Volume	15	Issue	2	Pages	024012
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd2Fe14B [M. Sagawa, S. Fujimura, H. Yamamoto, Y. Matsuura, and S. Hirosawa, J. Appl. Phys. 57, 4094 (1985)]. Here we point out, both by direct first-principles calculations on the iron carbides and silicides Fe5C2, Fe5SiC, and Fe7C3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20-25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” [J. M. D. Coey, Scr. Mater. 67, 524 (2012)] between the best rare-earth-free magnets and rare-earth magnets such as Nd2Fe14B and Sm-Co.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000614707800002	Publication Date	2021-02-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2331-7019	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.808	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.808
	Call Number	UA @ admin @ c:irua:176624			Serial	6734
Permanent link to this record



	Author	Sethu, K.K.V.; Ghosh, S.; Couet, S.; Swerts, J.; Sorée, B.; De Boeck, J.; Kar, G.S.; Garello, K.
	Title	Optimization of tungsten beta-phase window for spin-orbit-torque magnetic random-access memory			Type	A1 Journal article
	Year	2021	Publication	Physical Review Applied	Abbreviated Journal	Phys Rev Appl
	Volume	16	Issue	6	Pages	064009
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Switching induced by spin-orbit torque (SOT) is being vigorously explored, as it allows the control of magnetization using an in-plane current, which enables a three-terminal magnetic-tunnel-junction geometry with isolated read and write paths. This significantly improves the device endurance and the read stability, and allows reliable subnanosecond switching. Tungsten in the beta phase, beta-W, has the largest reported antidamping SOT charge-to-spin conversion ratio (theta(AD) approximate to -60%) for heavy metals. However, beta-W has a limitation when one is aiming for reliable technology integration: the beta phase is limited to a thickness of a few nanometers and enters the alpha phase above 4 nm in our samples when industry-relevant deposition tools are used. Here, we report our approach to extending the range of beta-W, while simultaneously improving the SOT efficiency by introducing N and O doping of W. Resistivity and XRD measurements confirm the extension of the beta phase from 4 nm to more than 10 nm, and transport characterization shows an effective SOT efficiency larger than -44.4% (reaching approximately -60% for the bulk contribution). In addition, we demonstrate the possibility of controlling and enhancing the perpendicular magnetic anisotropy of a storage layer (Co-Fe-B). Further, we integrate the optimized W(O, N) into SOT magnetic random-access memory (SOT-MRAM) devices and project that, for the same thickness of SOT material, the switching current decreases by 25% in optimized W(O, N) compared with our standard W. Our results open the path to using and further optimizing W for integration of SOT-MRAM technology.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000729005800002	Publication Date	2021-12-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2331-7019	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.808	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.808
	Call Number	UA @ admin @ c:irua:184832			Serial	7007
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	Author	Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B.
	Title	Tailoring dirac plasmons via anisotropic dielectric environment by design			Type	A1 Journal article
	Year	2021	Publication	Physical Review Applied	Abbreviated Journal	Phys Rev Appl
	Volume	16	Issue	5	Pages	054030
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000720372500002	Publication Date	2021-11-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2331-7019	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.808	Times cited	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.808
	Call Number	UA @ admin @ c:irua:184063			Serial	7028
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	Author	Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M.
	Title	Charge Localization and Magnetic Correlations in the Refined Structure of U₃O₇			Type	A1 Journal article
	Year	2021	Publication	Inorganic Chemistry	Abbreviated Journal	Inorg Chem
	Volume	60	Issue	14	Pages	10550-10564
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scattering data. The crystallographic model describes a long-range structural order in a U60O140 primitive cell (space group P42/n) containing distorted cuboctahedral oxygen clusters. By combining experimental data and electronic structure calculations accounting for spin–orbit interactions, we provide robust evidence of an interplay between charge localization and the magnetic moments carried by the uranium atoms. The calculations predict U3O7 to be a semiconducting solid with a band gap of close to 0.32 eV, and a more pronounced charge-transfer insulator behavior as compared to the well-known Mott insulator UO2. Most uranium ions (56 out of 60) occur in 9-fold and 10-fold coordinated environments, surrounding the oxygen clusters, and have a tetravalent (24 out of 60) or pentavalent (32 out of 60) state. The remaining uranium ions (4 out of 60) are not contiguous to the oxygen cuboctahedra and have a very compact, 8-fold coordinated environment with two short (2 × 1.93(3) Å) “oxo-type” bonds. The higher Hirshfeld charge and the diamagnetic character point to a hexavalent state for these four uranium ions. Hence, the valence state distribution corresponds to 24/60 × U(IV) + 32/60 U(V) + 4/60 U(VI). The tetravalent and pentavalent uranium ions are predicted to carry noncollinear magnetic moments (with amplitudes of 1.6 and 0.8 μB, respectively), resulting in canted ferromagnetic order in characteristic layers within the overall fluorite-related structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000675430900049	Publication Date	2021-07-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited		Open Access	OpenAccess
	Notes	Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD – Spent Fuel CORrosion MODeling). This work was performed in part using HPC resources from GENCI-IDRIS (Grants 2020-101450 and 2020-101601), and in part by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. GL thanks E. Suard and C. Schreinemachers for assistance during the neutron scattering experiments at the ILL. GB acknowledges V. Petříček for suggestions on using JANA2006.			Approved	Most recent IF: 4.857
	Call Number	EMAT @ emat @c:irua:179907			Serial	6801
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	Author	Thomassen, G.; Huysveld, S.; Boone, L.; Vilain, C.; Geysen, D.; Huysman, K.; Cools, B.; Dewulf, J.
	Title	The environmental impact of household's water use: A case study in Flanders assessing various water sources, production methods and consumption patterns			Type	A1 Journal Article
	Year	2021	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	770	Issue		Pages	145398
	Keywords	A1 Journal Article; Engineering Management (ENM) ;
	Abstract	Responsible water use and sustainable consumption and production are high on the agenda of multiple stakeholders. Different water supply sources are available, including tap water, bottled water, domestically harvested rainwater and domestically abstracted groundwater. The extent to which each of these water supply sources is used, differs over consumption patterns in various housing types, being detached houses, semi-detached houses, terraced houses and apartments. To identify the environmental impact of a household's water use and potential environmental impact reduction strategies, a holistic assessment is required. In this paper, the environmental impact of a household's water use in Flanders (Belgium) was assessed including four different water supply sources and four different consumption patterns by means of a life cycle assessment. The outcomes of this study reveal a large difference between the environmental impact of bottled water use, having a global warming impact of 259 kg CO2-eq.·m−3, compared to the other three supply sources. Tap water supply had the lowest global warming impact (0.17 kg CO2-eq.·m−3) and resource footprint (6.51 MJex·m−3) of all water supply sources. The most efficient strategy to reduce the environmental impact of household's water use is to shift the water consumption from bottled to tap water consumption. This would induce a reduction in global warming impact of the water use of an inhabitant in Flanders by on average 80%, saving 0.1 kg CO2-eq.·day−1 in case of groundwater-based tap water. These results provide insights into sustainable water use for multiple consumption patterns and can be used to better frame the environmental benefits of tap water use.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-01-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links
	Impact Factor	4.9	Times cited		Open Access	Not_Open_Access
	Notes	This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.			Approved	Most recent IF: 4.9
	Call Number	ENM @ enm @			Serial	6681
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	Author	Sharafi, L.; Zarafshani, K.; Keshavarz, M.; Azadi, H.; Van Passel, S.
	Title	Farmers' decision to use drought early warning system in developing countries			Type	A1 Journal article
	Year	2021	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	758	Issue		Pages	142761
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Drought is a persistent, sluggish natural disaster in developing countries that has generated a financial burden and an unstable climate. Farmers should adopt early warning systems (EWS) in their strategies for monitoring drought to reduce its serious consequences. However, farmers in developing countries are reluctant to use EWS as their management strategies. Hence, the aim of this study was to investigate the decision of farmers to use climate knowledge through the model of farming activity in Kermanshah Township, Iran. A surveyor questionnaire was used to gather data from 370 wheat farmers using random sampling methods inmulti-stage clusters. Results revealed that the decision to use climate information is affected by personal factors, attitude towards climate information, objectives of using climate information, and external/physical farming factors. The result of this study has implications for drought management practitioners. To be specific, the results can aid policymakers to design early alert programs to minimize the risk of drought and thus move from conventional to climate smart agriculture. (C) 2020 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000605623800001	Publication Date	2020-10-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.9	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.9
	Call Number	UA @ admin @ c:irua:176030			Serial	6924
Permanent link to this record



	Author	Muys, M.; Phukan, R.; Brader, G.; Samad, A.; Moretti, M.; Haiden, B.; Pluchon, S.; Roest, K.; Vlaeminck, S.E.; Spiller, M.
	Title	A systematic comparison of commercially produced struvite : quantities, qualities and soil-maize phosphorus availability			Type	A1 Journal article
	Year	2021	Publication	Science Of The Total Environment	Abbreviated Journal	Sci Total Environ
	Volume	756	Issue		Pages	143726-12
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Engineering Management (ENM)
	Abstract	Production of struvite (MgNH4PO4·6H2O) from waste streams is increasingly implemented to recover phosphorus (P), which is listed as a critical raw material in the European Union (EU). To facilitate EU-wide trade of P-containing secondary raw materials such as struvite, the EU issued a revised fertilizer regulation in 2019. A comprehensive overview of the supply of struvite and its quality is presently missing. This study aimed: i) to determine the current EU struvite production volumes, ii) to evaluate all legislated physicochemical characteristics and pathogen content of European struvite against newly set regulatory limits, and iii) to compare not-regulated struvite characteristics. It is estimated that in 2020, between 990 and 1250 ton P are recovered as struvite in the EU. Struvite from 24 European production plants, accounting for 30% of the 80 struvite installations worldwide was sampled. Three samples failed the physicochemical legal limits; one had a P content of <7% and three exceeded the organic carbon content of 3% dry weight (DW). Mineralogical analysis revealed that six samples had a struvite content of 80–90% DW, and 13 samples a content of >90% DW. All samples showed a heavy metal content below the legal limits. Microbiological analyses indicated that struvite may exceed certain legal limits. Differences in morphology and particle size distribution were observed for struvite sourced from digestate (rod shaped; transparent; 82 mass% < 1 mm), dewatering liquor (spherical; opaque; 65 mass% 1–2 mm) and effluent from upflow anaerobic sludge blanket reactor processing potato wastewater (spherical; opaque; 51 mass% < 1 mm and 34 mass% > 2 mm). A uniform soil-plant P-availability pattern of 3.5–6.5 mg P/L soil/d over a 28 days sampling period was observed. No differences for plant biomass yield were observed. In conclusion, the results highlight the suitability of most struvite to enter the EU fertilizer market.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000603487500029	Publication Date	2020-11-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0048-9697; 1879-1026	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.9	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.9
	Call Number	UA @ admin @ c:irua:173944			Serial	8638
Permanent link to this record



	Author	Bal, K.M.
	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
	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
Permanent link to this record



	Author	Fuoco, T.; Cuartero, M.; Parrilla, M.; García-Guzmán, J.J.; Crespo, G.A.; Finne-Wistrand, A.
	Title	Capturing the real-time hydrolytic degradation of a library of biomedical polymers by combining traditional assessment and electrochemical sensors			Type	A1 Journal article
	Year	2021	Publication	Biomacromolecules	Abbreviated Journal	Biomacromolecules
	Volume	22	Issue	2	Pages	949-960
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	We have developed an innovative methodology to overcome the lack of techniques for real-time assessment of degradable biomedical polymers at physiological conditions. The methodology was established by combining polymer characterization techniques with electrochemical sensors. The in vitro hydrolytic degradation of a series of aliphatic polyesters was evaluated by following the molar mass decrease and the mass loss at different incubation times while tracing pH and l-lactate released into the incubation media with customized miniaturized electrochemical sensors. The combination of different analytical approaches provided new insights into the mechanistic and kinetics aspects of the degradation of these biomedical materials. Although molar mass had to reach threshold values for soluble oligomers to be formed and specimens’ resorption to occur, the pH variation and l-lactate concentration were direct evidence of the resorption of the polymers and indicative of the extent of chain scission. Linear models were found for pH and released l-lactate as a function of mass loss for the l-lactide-based copolymers. The methodology should enable the sequential screening of degradable polymers at physiological conditions and has potential to be used for preclinical material’s evaluation aiming at reducing animal tests.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-01-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1525-7797	ISBN		Additional Links	UA library record
	Impact Factor	5.246	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.246
	Call Number	UA @ admin @ c:irua:175296			Serial	7575
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	Author	Ghidelli, M.; Orekhov, A.; Bassi, A.L.; Terraneo, G.; Djemia, P.; Abadias, G.; Nord, M.; Béché, A.; Gauquelin, N.; Verbeeck, J.; Raskin, J.-p.; Schryvers, D.; Pardoen, T.; Idrissi, H.
	Title	Novel class of nanostructured metallic glass films with superior and tunable mechanical properties			Type	A1 Journal article
	Year	2021	Publication	Acta Materialia	Abbreviated Journal	Acta Mater
	Volume		Issue		Pages	116955
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A novel class of nanostructured Zr50Cu50 (%at.) metallic glass films with superior and tunable mechanical properties is produced by pulsed laser deposition. The process can be controlled to synthetize a wide range of film microstructures including dense fully amorphous, amorphous embedded with nanocrystals and amorphous nano-granular. A unique dense self-assembled nano-laminated atomic arrangement characterized by alternating Cu-rich and Zr/O-rich nanolayers with different local chemical enrichment and amorphous or amorphous-crystalline composite nanostructure has been discovered, while significant in-plane clustering is reported for films synthetized at high deposition pressures. This unique nanoarchitecture is at the basis of superior mechanical properties including large hardness and elastic modulus up to 10 and 140 GPa, respectively and outstanding total elongation to failure (>9%), leading to excellent strength/ductility balance, which can be tuned by playing with the film architecture. These results pave the way to the synthesis of novel class of engineered nanostructured metallic glass films with high structural performances attractive for a number of applications in microelectronics and coating industry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000670077800004	Publication Date	2021-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	27	Open Access	OpenAccess
	Notes	H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). This work was supported by the Fonds de la Recherche Scientifique – FNRS under Grant T.0178.19 and Grant CDR– J011320F. We acknowledge funding for the direct electron detector used in the 4D stem studies from the Hercules fund 'Direct electron detector for soft matter TEM' from the Flemish Government J.V acknowledges funding from the European Union's Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3. A.O. has received partial funding from the GOA project “Solarpaint” of the University of Antwerp. A.B. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. M.G. and A.L.B acknowledge Chantelle Ekanem for support in PLD depositions.			Approved	Most recent IF: 5.301
	Call Number	EMAT @ emat @c:irua:178142			Serial	6761
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	Author	Baral, P.; Orekhov, A.; Dohmen, R.; Coulombier, M.; Raskin, J.P.; Cordier, P.; Idrissi, H.; Pardoen, T.
	Title	Rheology of amorphous olivine thin films characterized by nanoindentation			Type	A1 Journal article
	Year	2021	Publication	Acta Materialia	Abbreviated Journal	Acta Mater
	Volume	219	Issue		Pages	117257
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The rheological properties of amorphous olivine thin films deposited by pulsed laser deposition have been studied based on ambient temperature nanoindentation under constant strain-rate as well as re-laxation conditions. The amorphous olivine films exhibit a viscoelastic-viscoplastic behavior with a significant rate dependency. The strain-rate sensitivity m is equal to similar to 0 . 05 which is very high for silicates, indicating a complex out-of-equilibrium structure. The minimum apparent activation volume determined from nanoindentation experiments corresponds to Mg and Fe atomic metallic sites in the (Mg,Fe)(2)SiO4 crystalline lattice. The ambient temperature creep behavior of the amorphous olivine films differs very much from the one of single crystal olivine. This behavior directly connects to the recent demonstration of the activation of grain boundary sliding in polycrystalline olivine following grain boundary amorphization under high-stress. (C) 2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000706867800004	Publication Date	2021-08-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.301
	Call Number	UA @ admin @ c:irua:182592			Serial	6882
Permanent link to this record



	Author	Yang, M.; Orekhov, A.; Hu, Z.-Y.; Feng, M.; Jin, S.; Sha, G.; Li, K.; Samaee, V.; Song, M.; Du, Y.; Van Tendeloo, G.; Schryvers, D.
	Title	Shearing and rotation of β'' and β' precipitates in an Al-Mg-Si alloy under tensile deformation : in-situ and ex-situ studies			Type	A1 Journal article
	Year	2021	Publication	Acta Materialia	Abbreviated Journal	Acta Mater
	Volume	220	Issue		Pages	117310
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The interaction between dislocations and nano-precipitates during deformation directly influences hardening response of precipitation-strengthening metals such as Al-Mg-Si alloys. However, how coherent and semi-coherent nano-precipitates accommodate external deformation applied to an Al alloy remains to be elucidated. In-situ tensile experiments in a transmission electron microscope (TEM) were conducted to study the dynamic process of dislocations cutting through coherent needle-like beta '' precipitates with diameters of 3 similar to 8 nm. Comprehensive investigations using in-situ, ex-situ TEM and atom probe tomography uncovered that beta '' precipitates were firstly sheared into small fragments, and then the rotation of the fragments, via sliding along precipitate/matrix interfaces, destroyed their initially coherent interface with the Al matrix. In contrast, semi-coherent beta' precipitates with sizes similar to beta '' were more difficult to be fragmented and accumulation of dislocations at the interface increased interface misfit between beta' and the Al matrix. Consequently, beta' precipitates could basically maintain their needle-like shape after the tensile deformation. This research gains new insights into the interaction between nano-precipitates and dislocations. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000705535300005	Publication Date	2021-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.301
	Call Number	UA @ admin @ c:irua:182528			Serial	6884
Permanent link to this record



	Author	Borah, R.; Ninakanti, R.; Nuyts, G.; Peeters, H.; Pedrazo-Tardajos, A.; Nuti, S.; Vande Velde, C.; De Wael, K.; Lenaerts, S.; Bals, S.; Verbruggen, S.
	Title	Selectivity in ligand functionalization of photocatalytic metal oxide nanoparticles for phase transfer and self‐assembly applications			Type	A1 Journal article
	Year	2021	Publication	Chemistry-A European Journal	Abbreviated Journal	Chem-Eur J
	Volume		Issue		Pages	chem.202100029-15
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)
	Abstract	Functionalization of photocatalytic metal oxide nanoparticles of TiO 2 , ZnO, WO 3 and CuO with amine‐terminated (oleylamine) and thiol‐terminated (1‐dodecanethiol) alkyl chained ligands was studied under ambient conditions. A high selectivity was observed in the binding specificity of a ligand towards nanoparticles of these different oxides. It was observed that oleylamine binds stably to only TiO 2 and WO 3 , while 1‐dodecanethiol binds stably only to ZnO and CuO. Similarly, polar to non‐polar solvent phase transfer of TiO 2 and WO 3 nanoparticles could be achieved by using oleylamine, but not by 1‐dodecanethiol, while the contrary holds for ZnO and CuO. The surface chemistry of ligand functionalized nanoparticles was probed by ATR‐FTIR spectroscopy, that enabled to elucidate the occupation of the ligands at the active sites. The photo‐stability of the ligands on the nanoparticle surface was determined by the photocatalytic self‐cleaning properties of the material. While TiO 2 and WO 3 degrade the ligands within 24 hours under both UV and visible light, ligands on ZnO and CuO remain unaffected. The gathered insights are also highly relevant from an application point of view. As an example, since the ligand functionalized nanoparticles are hydrophobic in nature, they can thus be self‐assembled at the air‐water interface, for obtaining nanoparticle films with demonstrated photocatalytic as well as anti‐fogging properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000652651400001	Publication Date	2021-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0947-6539	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.317	Times cited	15	Open Access	OpenAccess
	Notes	R.B. and S.W.V. acknowledge financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Program by means of the grant agreement no. 731019 EUSMI and the ERC Consolidator grant no. 815128 REALNANO.; sygmaSB			Approved	Most recent IF: 5.317
	Call Number	UA @ admin @ c:irua:177495			Serial	6787
Permanent link to this record



	Author	Abdulov, N.A.; Bacchetta, A.; Baranov, S.; Martinez, A.B.; Bertone, V.; Bissolotti, C.; Candelise, V.; Banos, L.I.E.; Bury, M.; Connor, P.L.S.; Favart, L.; Guzman, F.; Hautmann, F.; Hentschinski, M.; Jung, H.; Keersmaekers, L.; Kotikov, A.; Kusina, A.; Kutak, K.; Lelek, A.; Lidrych, J.; Lipatov, A.; Lykasov, G.; Malyshev, M.; Mendizabal, M.; Prestel, S.; Barzani, S.S.; Sapeta, S.; Schmitz, M.; Signori, A.; Sorrentino, G.; Monfared, S.T.; van Hameren, A.; van Kampen, A.M.; Vanden Bemden, M.; Vladimirov, A.; Wang, Q.; Yang, H.
	Title	TMDlib2 and TMDplotter : a platform for 3D hadron structure studies			Type	A1 Journal article
	Year	2021	Publication	European Physical Journal C	Abbreviated Journal	Eur Phys J C
	Volume	81	Issue	8	Pages	752
	Keywords	A1 Journal article; Particle Physics Group; Condensed Matter Theory (CMT)
	Abstract	A common library, TMDlib2, for Transverse-Momentum-Dependent distributions (TMDs) and unintegrated parton distributions (uPDFs) is described, which allows for easy access of commonly used TMDs and uPDFs, providing a three-dimensional (3D) picture of the partonic structure of hadrons. The tool TMDplotter allows for web-based plotting of distributions implemented in TMDlib2, together with collinear pdfs as available in LHAPDF.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000687163700004	Publication Date	2021-08-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-6044; 1434-6052	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.331	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.331
	Call Number	UA @ admin @ c:irua:181762			Serial	7032
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	Author	Chizhov, As.; Rumyantseva, Mn.; Drozdov, Ka.; Krylov, Iv.; Batuk, M.; Hadermann, J.; Filatova, Dg.; Khmelevsky, No.; Kozlovsky, Vf.; Maltseva, Ln.; Gaskov, Am.
	Title	Photoresistive gas sensor based on nanocrystalline ZnO sensitized with colloidal perovskite CsPbBr3 nanocrystals			Type	A1 Journal article
	Year	2021	Publication	Sensors And Actuators B-Chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	329	Issue		Pages	129035
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The development of sensor materials of which gas sensitivity activates under light illumination is of great importance for the design of portable gas analyzers with low power consumption. In the present work a ZnO/CsPbBr3 nanocomposite based on nanocrystalline ZnO and colloidal cubic-shaped perovskite CsPbBr3 nanocrystals (NCs) capped by oleic acide and oleylamine was synthesized. The individual materials and obtained nanocomposite are characterized by x-ray diffraction, low-temperature nitrogen adsorption, x-ray photoelectron spectroscopy, high angle annular dark field scanning transmission electron microscopy with energy-dispersive Xray spectroscopy mapping and UV-vis absorption spectroscopy. The spectral dependence of the photoconductivity of the ZnO/CsPbBr3 nanocomposite reveals a well-defined peak that strongly correlates with the its optical absorption spectrum. The nanocomposite ZnO/CsPbBr3 shows enhanced photoresponse under visible light illumination (lambda(max) = 470 nm, 8 mW/cm(2)) in air, oxygen and argone, compared with pure nanocrystalline ZnO. Under periodic illumination in the temperature range of 25-100 degrees C, the ZnO/CsPbBr3 nanocomposite shows a sensor response to 0.5-3.0 ppm NO2, unlike pure nanocrystalline ZnO matrix, which demonstrates sensor sensitivity to NO2 under the same conditions above 100 degrees C. The effects of humidity on the sensor signal and photoresponse are also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000612060700009	Publication Date	2020-10-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited		Open Access	OpenAccess
	Notes	The reported study was funded by RFBR according to the research project N◦ 18-33-01004 and in part by a grant from the St. Petersburg State University – Event 3-2018 (id: 46380300). Element mapping for sensors were supported by M.V. Lomonosov Moscow State University Program of Development (X-ray fluorescence spectrometer Tornado M4 plus).			Approved	Most recent IF: 5.401
	Call Number	EMAT @ emat @c:irua:176123			Serial	6707
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	Author	Parrilla, M.; Montiel, F.N.; Van Durme, F.; De Wael, K.
	Title	Derivatization of amphetamine to allow its electrochemical detection in illicit drug seizures			Type	A1 Journal article
	Year	2021	Publication	Sensors And Actuators B-Chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	337	Issue		Pages	129819
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Amphetamine (AMP) is posing critical issues in our society being one of the most encountered drugs-of-abuse in the current illicit market. The continuous drug production in Europe urges the development of new tools for the rapid on-site determination of illicit drugs such as AMP. However, the direct electrochemical detection of AMP is a challenge because the molecule is non-electroactive at the potential window of conventional graphite SPEs. For this reason, a derivatization step is needed to convert the primary amine into an electroactive oxidizable group. Herein, the rapid electrochemical detection of AMP in seized samples based on the derivatization by 1,2-naphthoquinone-4-sulfonate (NQS) is presented by using square wave voltammetry (SWV) at graphite screen-printed electrodes (SPEs). First, a detailed optimization of the key parameters and the analytical performance is provided. The method showed a sensitivity of 7.9 µA mM-1 within a linear range from 50 to 500 µM, a limit of detection of 22.2 µM, and excellent reproducibility (RSD = 4.3%, n = 5 at 500 µM). Subsequently, the effect of NQS on common cutting agents for the selective detection of AMP is addressed. The comparison of the method with drugs-of-abuse containing secondary and tertiary amines confirms the selectivity of the method. Finally, the concept is applied to quantify AMP in 20 seized samples provided by forensic laboratories, exhibiting an accuracy of 97.3 ± 10.5%. Overall, the fast analysis of samples with the electrochemical profiling of derivatized AMP exhibits a straightforward on-site screening aiming to facilitate the tasks of law enforcement agents in the field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000640386500001	Publication Date	2021-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.401
	Call Number	UA @ admin @ c:irua:176353			Serial	7762
Permanent link to this record



	Author	Parrilla, M.; Joosten, F.; De Wael, K.
	Title	Enhanced electrochemical detection of illicit drugs in oral fluid by the use of surfactant-mediated solution			Type	A1 Journal article
	Year	2021	Publication	Sensors And Actuators B-Chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	348	Issue		Pages	130659
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	Illicit drug consumption is a worldwide worrying phenomenon that troubles modern society. For this reason, law enforcement agencies (LEAs) are placing tremendous efforts into tackling the spreading of such substances among our community. New sensing technologies can facilitate the LEAs duties by providing portable and affordable analytical devices. Herein, we present for the first time a sensitive and low-cost electrochemical method, i.e. square-wave adsorptive stripping voltammetry on carbon screen-printed electrodes (SPE), for the detection of five illicit drugs (i.e. cocaine, heroin, 3,4-methylenedioxymethamphetamine, 4-chloro-alpha-pyrrolidinovalerophenone, and ketamine) in oral fluid by the aid of a surfactant. Particularly, the surfactant is adsorbed at the carbon electrode’s surface and yields the adsorption of illicit drug molecules, allowing for an enhanced electrochemical signal in comparison to surfactant-free media. First, the surfactant-mediated behavior is deeply explored at the SPE by cyclic voltammetry, electrochemical impedance spectroscopy, and Fourier-transform infrared spectroscopy. Subsequently, the electrochemical behavior of the five illicit drugs is studied and optimized to render optimal analytical performance. Accordingly, the analytical system exhibited a wide linear concentration range from 1 to 30 µM with sub-micromolar limits of detection and high sensitivity. This performance is similar to other reported electrochemical sensors, but with the advantage of using an unmodified SPE, thus avoiding costly and complex functionalization of the SPE. Finally, the methodology was evaluated in diluted oral fluid samples spiked with illicit drugs. Overall, this work describes a simple, rapid, portable, and sensitive method for the detection of illicit drugs aiming to provide oral fluid testing opportunities to LEAs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000701915600005	Publication Date	2021-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.401
	Call Number	UA @ admin @ c:irua:181307			Serial	7912
Permanent link to this record



	Author	Kumar, N.; Perez-Novo, C.; Shaw, P.; Logie, E.; Privat-Maldonado, A.; Dewilde, S.; Smits, E.; Berghe, W.V.; Bogaerts, A.
	Title	Physical plasma-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death			Type	A1 Journal article
	Year	2021	Publication	Free Radical Biology And Medicine	Abbreviated Journal	Free Radical Bio Med
	Volume	166	Issue		Pages	187-200
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
	Abstract	Despite modern therapeutic advances, the survival prospects of pancreatic cancer patients remain poor, due to chemoresistance and dysregulated oncogenic kinase signaling networks. We applied a novel kinome activitymapping approach using biological peptide targets as phospho-sensors to identify vulnerable kinase dependencies for therapy sensitization by physical plasma. Ser/Thr-kinome specific activity changes were mapped upon induction of ferroptotic cell death in pancreatic tumor cells exposed to reactive oxygen and nitrogen species of plasma-treated water (PTW). This revealed a broad kinome activity response involving the CAMK, the AGC and CMGC family of kinases. This systems-level kinome network response supports stress adaptive switches between chemoresistant anti-oxidant responses of Kelch-like ECH-associated protein 1 (KEAP1)/Heme Oxygenase 1 (HMOX1) and ferroptotic cell death sensitization upon suppression of Nuclear factor (erythroid derived 2)-like 2 (NRF2) and Glutathione peroxidase 4 (GPX4). This is further supported by ex vivo experiments in the chicken chorioallantoic membrane assay, showing decreased GPX4 and Glutathione (GSH) expression as well as increased lipid peroxidation, along with suppressed BxPC-3 tumor growth in response to PTW. Taken all together, we demonstrate that plasma treated water-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death by targeting a NRF2-HMOX1-GPX4 specific kinase signaling network.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000632703400001	Publication Date	2021-02-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0891-5849	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.606	Times cited		Open Access	OpenAccess
	Notes	We gratefully acknowledge the financial support obtained from the Research Foundation Flanders (FWO), Belgium, grant number 12J5617 N and Department of Biotechnology (DBT) Ramalingaswami Re-entry Fellowship, India, grant number D.O.NO.BT/HRD/35/02/2006. We are thankful to the Laboratory of Experimental Hematology, for providing the facilities for the experimental and fluorescence microscopy work. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), Belgium. The Kinome profiling was performed at the Epigenetic Signaling service facility (PPES-UA) funded by the Hercules Foundation and Foundation against cancer Belgium (KOTK 7872).			Approved	Most recent IF: 5.606
	Call Number	PLASMANT @ plasmant @c:irua:176878			Serial	6711
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	Author	Alloul, A.; Muys, M.; Hertoghs, N.; Kerckhof, F.-M.; Vlaeminck, S.E.
	Title	Cocultivating aerobic heterotrophs and purple bacteria for microbial protein in sequential photo- and chemotrophic reactors			Type	A1 Journal article
	Year	2021	Publication	Bioresource Technology	Abbreviated Journal	Bioresource Technol
	Volume	319	Issue		Pages	124192
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Aerobic heterotrophic bacteria (AHB) and purple non-sulfur bacteria (PNSB) are typically explored as two separate types of microbial protein, yet their properties as respectively a bulk and added-value feed ingredient make them appealing for combined use. The feasibility of cocultivation in a sequential photo- and chemotrophic approach was investigated. First, mapping the chemotrophic growth kinetics for four Rhodobacter, Rhodopseudomonas and Rhodospirillum species on different carbon sources showed a preference for fructose (µmax 2.4–3.9 d−1 28 °C; protein 36–59%DW). Secondly, a continuous photobioreactor inoculated with Rhodobacter capsulatus (VFA as C-source) delivered the starter culture for an aerobic batch reactor (fructose as C-source). This two-stage system showed an improved nutritional quality compared to AHB production: higher protein content (45–71%DW), more attractive amino/fatty acid profile and contained up to 10% PNSB. The findings strengthen protein production with cocultures and might enable the implementation of the technology for resource recovery on streams such as wastewater.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000613136600013	Publication Date	2020-09-30
	Series Editor		Series Title		Abbreviated Series Title
	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:171766			Serial	7677
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	Author	Spanoghe, J.; Vermeir, P.; Vlaeminck, S.E.
	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
	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
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	Author	Van Tendeloo, M.; Xie, Y.; Van Beeck, W.; Zhu, W.; Lebeer, S.; Vlaeminck, S.E.
	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
	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
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	Author	Bahrami, F.; Hammad, M.; Fivel, M.; Huet, B.; D'Haese, C.; Ding, L.; Nysten, B.; Idrissi, H.; Raskin, J.P.; Pardoen, T.
	Title	Single layer graphene controlled surface and bulk indentation plasticity in copper			Type	A1 Journal article
	Year	2021	Publication	International Journal Of Plasticity	Abbreviated Journal	Int J Plasticity
	Volume	138	Issue		Pages	102936
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The impact of graphene reinforcement on the mechanical properties of metals has been a subject of intense investigation over the last decade in surface applications to mitigate the impact of tribological loadings or for strengthening purposes when dispersed into a bulk material. Here, the effect on the plastic indentation response of a single graphene layer grown on copper is analyzed for two configurations: one with graphene at the surface, the other with graphene sandwiched under a 100 nm thick copper cap layer. Nanoindentation under both displacement and load control conditions show both earlier and shorter pop-in excursions compared to systems without graphene. Atomic force microscopy reveals much smoother pile-ups with no slip traces in the presence of a surface graphene layer. The configuration with the intercalated graphene layer appears as an ideal elementary system to address bulk hardening mechanisms by indentation testing. Transmission electron microscopy (TEM) cross-sections below indents show more diffuse and homogeneous dislocation activity in the presence of graphene. 3D dislocation dynamics simulations allow unraveling of the origin of these 3D complex phenomena and prove that the collective dislocation mechanisms are dominantly controlled by the strong back stress caused by the graphene barrier. These results provide a quantitative understanding of the impact of graphene on dislocation mechanisms for both surface and bulk applications, but with an impact that is not as large as anticipated from other studies or general literature claims.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000623869800001	Publication Date	2021-01-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0749-6419	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.702	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.702
	Call Number	UA @ admin @ c:irua:176729			Serial	6735
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	Author	Einhäupl, P.; Van Acker, K.; Peremans, H.; Van Passel, S.
	Title	The conceptualization of societal impacts of landfill mining : a system dynamics approach			Type	A1 Journal article
	Year	2021	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	296	Issue		Pages	126351
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Landfill mining (LFM) refers to the excavation and processing of formerly buried waste streams. It offers significant environmental and societal benefits through the mitigation of greenhouse gas emissions or the reduction of long-term waste management costs. LFM’s profitability, however, is still in question and public investment support might be necessary to fully exploit its potential. To enable decision-makers to identify the best solutions for a landfill site, societal impacts of LFM still have to be investigated. Throughout relevant literature, societal impacts of LFM projects have only selectively been studied and it remains unclear if and which benefits justify policy interventions. This paper firstly provides a comprehensive conceptualization of the societal impact of an LFM project and dives into the underlying societal context of this emerging industry. It disentangles formerly identified burdens and benefits by applying a system dynamics approach to LFM research. Based on this approach, four causal loop diagrams are presented showing how LFM is embedded into its societal context, analyzing the composition of the net societal impact of an LFM project, the mechanisms influencing LFM’s public acceptance, and the dynamics of the market acceptance of LFM products. Key variables and leverage points have been identified, such as (i) technology choices influencing avoided impacts from the mitigations of primary resource consumption, since many societal impacts are closely related to environmental impacts, (ii) a timely and broad stakeholder involvement to prevent project opposition, and (iii) the after-use of the mined landfill, generating a major part of the local and regional societal benefits but also creating potential conflicts between stakeholder interests. Key intradimensional trade-offs and potential conflicts were identified in (i) spatial and (ii) temporal risk distribution, (iii) conflicting societal goals of the after-use such as job creations and recreation, as well as (iv) material and energy recuperation. These findings provide important insights for LFM decision-makers and can help to implement this emerging industry in a sustainable way.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000672225100099	Publication Date	2021-02-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	5.715	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.715
	Call Number	UA @ admin @ c:irua:178793			Serial	6918
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	Author	Buyle, M.; Maes, B.; Van Passel, S.; Boonen, K.; Vercalsteren, A.; Audenaert, A.
	Title	Ex-ante LCA of emerging carbon steel slag treatment technologies : fast forwarding lab observations to industrial-scale production			Type	A1 Journal article
	Year	2021	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	313	Issue		Pages	127921
	Keywords	A1 Journal article; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings (EMIB)
	Abstract	The valuable properties of carbon steel slag are currently underexploited. To date, research mainly focusses on valorising a single property of the slag. In this study an ex-ante life cycle assessment (LCA) was applied to evaluate the environmental profile of a novel technological pathway aimed at the extraction of chromium from carbon steel slag in combination with high quality valorisation of the residual matrix material. A comparison with current practice was made, not only by calculating the environmental impact of the lab scale observations, but more importantly by estimating the impact on an industrial scale. Practical guidance on ex-ante LCA is limited, so this study contributes by incorporating simulations on thermodynamic behaviour, complemented with empirical calculation rules and including information derived from similar technologies to perform the upscaling. These principles of ex-ante LCA were applied to the lab results of two consecutive research iterations. Substantial improvements of the environmental profile were observed: ex-ante results turned out to be a factor 20 lower compared to the results from the lab observations after the first iteration and had decreased by a factor 2 compared to the small pilot scale of the second iteration. All upscaled results are better than those from the worst case reference scenario (landfill). Based on the experience gained after this iterative research cycle, a practical recommendation is that at a low technology readiness level using more simple calculation rules in combination with a flowsheet based on elementary design principles for processes at an industrial scale is a more efficient way of modelling compared to a fully-fledged process design from the start.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000693416000002	Publication Date	2021-06-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	5.715	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 5.715
	Call Number	UA @ admin @ c:irua:179313			Serial	6922
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	Author	Azadi, H.; Moghaddam, S.M.; Burkart, S.; Mahmoudi, H.; Van Passel, S.; Kurban, A.; Lopez-Carr, D.
	Title	Rethinking resilient agriculture : from Climate-Smart Agriculture to Vulnerable-Smart Agriculture			Type	A1 Journal article
	Year	2021	Publication	Journal Of Cleaner Production	Abbreviated Journal	J Clean Prod
	Volume	319	Issue		Pages	128602
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Climate-Smart Agriculture (CSA) is seeking to overcome the food security problem and develop rural livelihoods while minimizing negative impacts on the environment. However, when such synergies exist, the situation of small-scale farmers is often overlooked, and they are unable to implement new practices and technologies. Therefore, the main aim of this study is to improve CSA by adding the neglected but very important element “small-scale farmer”, and introduce Vulnerable-Smart Agriculture (VSA) as a complete version of CSA. VSA indicates, based on the results of this study, that none of the decisions made by policymakers can be realistic and functional as long as the voice of the farmers influenced by their decisions is not heard. Therefore, to identify different levels for possible interventions and develop VSA monitoring indicators, a new conceptual framework needs to be developed. This study proposed such a framework consisting of five elements: prediction of critical incidents by farmers, measuring the consequences of incidents, identifying farmers' coping strategies, assessing farmers' livelihood capital when facing an incident, and adapting to climate incidents. The primary focus of this study is on farmers' learning and operational preparation to deal with tension and disasters at farm level. Understanding the implications of threats from climate change and the recognizing of coping mechanisms will contribute to an increase in understanding sustainable management.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000728681500005	Publication Date	2021-08-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-6526	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.715	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.715
	Call Number	UA @ admin @ c:irua:184869			Serial	6942
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