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| Author | Agrawal, S.; Weissbrodt, D.G.; Annavajhala, M.; Jensen, M.M.; Arroyo, J.M.C.; Wells, G.; Chandran, K.; Vlaeminck, S.E.; Terada, A.; Smets, B.F.; Lackner, S. | ||||
| Title | Time to act–assessing variations in qPCR analyses in biological nitrogen removal with examples from partial nitritation/anammox systems | Type | A1 Journal article | ||
Year  |
2021 | Publication | Water Research | Abbreviated Journal | Water Res |
| Volume | 190 | Issue | Pages | 116604 | |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Quantitative PCR (qPCR) is broadly used as the gold standard to quantify microbial community fractions in environmental microbiology and biotechnology. Benchmarking efforts to ensure the comparability of qPCR data for environmental bioprocesses are still scarce. Also, for partial nitritation/anammox (PN/A) systems systematic investigations are still missing, rendering meta-analysis of reported trends and generic insights potentially precarious. We report a baseline investigation of the variability of qPCR-based analyses for microbial communities applied to PN/A systems. Round-robin testing was performed for three PN/A biomass samples in six laboratories, using the respective in-house DNA extraction and qPCR protocols. The concentration of extracted DNA was significantly different between labs, ranged between 2.7 and 328 ng mg−1 wet biomass. The variability among the qPCR abundance data of different labs was very high (1−7 log fold) but differed for different target microbial guilds. DNA extraction caused maximum variation (3–7 log fold), followed by the primers (1–3 log fold). These insights will guide environmental scientists and engineers as well as treatment plant operators in the interpretation of qPCR data. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000632807700001 | Publication Date | 2020-11-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0043-1354; 1879-2448 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.942 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 6.942 | |||
| Call Number | UA @ admin @ c:irua:173838 | Serial | 8672 | ||
| Permanent link to this record | |||||
| Author | Thiruvottriyur Shanmugam, S.; Van Echelpoel, R.; Boeye, G.; Eliaerts, J.; Samanipour, M.; Ching, H.Y.V.; Florea, A.; Van Doorslaer, S.; Van Durme, F.; Samyn, N.; Parrilla, M.; De Wael, K. | ||||
| Title | Towards developing a screening strategy for ecstasy : revealing the electrochemical profile | Type | A1 Journal article | ||
| Year |
2021 | Publication | Chemelectrochem | Abbreviated Journal | Chemelectrochem |
| Volume | 8 | Issue | 24 | Pages | 4826-4834 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY); Applied Electrochemistry & Catalysis (ELCAT); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | This article describes the development of an electrochemical screening strategy for 3,4-methylenedioxymethamphetamine (MDMA), the regular psychoactive compound in ecstasy (XTC) pills. We have investigated the specific electrochemical profile of MDMA and its electro-oxidation mechanisms at disposable graphite screen-printed electrodes. We have proved that the formation of a radical cation and subsequent reactions are indeed responsible for the electrode surface passivation, as evidenced by using electron paramagnetic resonance spectroscopy and electrochemistry. Thereafter, pure cutting agents and MDMA as well as simulated binary mixtures of compounds with MDMA were subjected to square wave voltammetry at pH 7 to understand the characteristic electrochemical profile. An additional measurement at pH 12 was able to resolve false positives and negatives occurring at pH 7. Finally, validation of the screening strategy was done by measuring a set of ecstasy street samples. Overall, our proposed electrochemical screening strategy has been demonstrated for the rapid, sensitive, and selective detection of MDMA, resolving most of the false positives and negatives given by the traditional Marquis color tests, thus exhibiting remarkable promises for the on-site screening of MDMA. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000735883700020 | Publication Date | 2021-12-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.136 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.136 | |||
| Call Number | UA @ admin @ c:irua:184371 | Serial | 8680 | ||
| Permanent link to this record | |||||
| Author | Van Winckel, T.; Cools, J.; Vlaeminck, S.E.; Joos, P.; Van Meenen, E.; Borregán-Ochando, E.; Van Den Steen, K.; Geerts, R.; Vandermoere, F.; Blust, R. | ||||
| Title | Towards harmonization of water quality management : a comparison of chemical drinking water and surface water quality standards around the globe | Type | A1 Journal article | ||
| Year |
2021 | Publication | Journal Of Environmental Management | Abbreviated Journal | J Environ Manage |
| Volume | 298 | Issue | Pages | 113447-12 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change | ||||
| Abstract | Water quality standards (WQS) set the legal definition for safe and desirable water. WQS impose regulatory concentration limits to act as a jurisdiction-specific legislative risk-management tool. Despite its importance in shaping a universal definition of safe, clean water, little information exists with respect to (dis)similarity of chemical WQS worldwide. Therefore, this paper compares chemical WQS for drinking and surface water matrices in eight jurisdictions representing a global geographic distribution: Australia, Brazil, Canada, China, the European Union, the region of Flanders in Belgium, the United States of America, and South Africa. The World Health Organization's list is used as a reference for drinking water standards. Sørensen–Dice indices (SDI) showed little qualitative similarity in the compounds that are regulated in drinking water (median SDI = 40%) and surface water (median SDI = 33%), indicating that the heterogeneity within a matrix is substantial at the level of the standard. Quantitative similarity for matching standards was higher than the qualitative per Kendall correlation (median = 0.73 and 0.58 for drinking water and surface water respectively), yet variance observed within standards remained inexplicably high for organic compounds. Variations in WQS were more pronounced for organic compounds. Most differences cannot be easily explained from a toxicological or risk-based point-of-view. Historical development, ease of measurement, and (toxicological) knowledge gaps on the risk of a vast number of organic compounds are theorized to be the drivers. Therefore, this study argues for a more tailored, risk-based approach in which standards incorporated into water safety plans are dynamically set for compounds that are persistent and could pose a risk for human health and/or aquatic ecosystems. Global variations in WQS should therefore not necessarily be avoided but rather globally harmonized with enough flexibility to ensure a global, up-to-date definition of safe and desirable water everywhere. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000700577400005 | Publication Date | 2021-08-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0301-4797 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.01 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.01 | |||
| Call Number | UA @ admin @ c:irua:180765 | Serial | 8681 | ||
| Permanent link to this record | |||||
| Author | Baij, L.; Liu, C.; Buijs, J.; Alvarez Martin, A.; Westert, D.; Raven, L.; Geels, N.; Noble, P.; Sprakel, J.; Keune, K. | ||||
| Title | Understanding and optimizing Evolon® CR for varnish removal from oil paintings | Type | A1 Journal article | ||
| Year |
2021 | Publication | Heritage science | Abbreviated Journal | |
| Volume | 9 | Issue | 1 | Pages | 155-17 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-11-27 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2050-7445 | ISBN | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:183747 | Serial | 8707 | ||
| Permanent link to this record | |||||
| Author | Van Echelpoel, R.; de Jong, M.; Daems, D.; van Espen, P.; De Wael, K. | ||||
| Title | Unlocking the full potential of voltammetric data analysis : a novel peak recognition approach for (bio)analytical applications | Type | A1 Journal article | ||
| Year |
2021 | Publication | Talanta | Abbreviated Journal | Talanta |
| Volume | 233 | Issue | Pages | 122605 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Bridging the gap between complex signal data output and clear interpretation by non-expert end-users is a major challenge many scientists face when converting their scientific technology into a real-life application. Currently, pattern recognition algorithms are the most frequently encountered signal data interpretation algorithms to close this gap, not in the least because of their straight-forward implementation via convenient software packages. Paradoxically, just because their implementation is so straight-forward, it becomes cumbersome to integrate the expert's domain-specific knowledge. In this work, a novel signal data interpretation approach is presented that uses this domain-specific knowledge as its fundament, thereby fully exploiting the unique expertise of the scientist. The new approach applies data preprocessing in an innovative way that transcends its usual purpose and is easy to translate into a software application. Multiple case studies illustrate the straight-forward application of the novel approach. Ultimately, the approach is highly suited for integration in various (bio)analytical applications that require interpretation of signal data. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000668000500108 | Publication Date | 2021-06-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0039-9140; 1873-3573 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.162 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.162 | |||
| Call Number | UA @ admin @ c:irua:179417 | Serial | 8712 | ||
| Permanent link to this record | |||||
| Author | Dillen, A.; Vandezande, W.; Daems, D.; Lammertyn, J. | ||||
| Title | Unraveling the effect of the aptamer complementary element on the performance of duplexed aptamers : a thermodynamic study | Type | A1 Journal article | ||
| Year |
2021 | Publication | Analytical And Bioanalytical Chemistry | Abbreviated Journal | Anal Bioanal Chem |
| Volume | 413 | Issue | 19 | Pages | 4739-4750 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Duplexed aptamers (DAs) are widespread aptasensor formats that simultaneously recognize and signal the concentration of target molecules. They are composed of an aptamer and aptamer complementary element (ACE) which consists of a short oligonucleotide that partially inhibits the aptamer sequence. Although the design principles to engineer DAs are straightforward, the tailored development of DAs for a particular target is currently based on trial and error due to limited knowledge of how the ACE sequence affects the final performance of DA biosensors. Therefore, we have established a thermodynamic model describing the influence of the ACE on the performance of DAs applied in equilibrium assays and demonstrated that this relationship can be described by the binding strength between the aptamer and ACE. To validate our theoretical findings, the model was applied to the 29-mer anti-thrombin aptamer as a case study, and an experimental relation between the aptamer-ACE binding strength and performance of DAs was established. The obtained results indicated that our proposed model could accurately describe the effect of the ACE sequence on the performance of the established DAs for thrombin detection, applied for equilibrium assays. Furthermore, to characterize the binding strength between the aptamer and ACEs evaluated in this work, a set of fitting equations was derived which enables thermodynamic characterization of DNA-based interactions through thermal denaturation experiments, thereby overcoming the limitations of current predictive software and chemical denaturation experiments. Altogether, this work encourages the development, characterization, and use of DAs in the field of biosensing. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000659366300001 | Publication Date | 2021-06-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1618-2642; 1618-2650 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.431 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.431 | |||
| Call Number | UA @ admin @ c:irua:179163 | Serial | 8713 | ||
| Permanent link to this record | |||||
| Author | Maso, L.; Trande, M.; Liberi, S.; Moro, G.; Daems, E.; Linciano, S.; Sobott, F.; Covaceuszach, S.; Cassetta, A.; Fasolato, S.; Moretto, L.M.; De Wael, K.; Cendron, L.; Angelini, A. | ||||
| Title | Unveiling the binding mode of perfluorooctanoic acid to human serum albumin | Type | A1 Journal article | ||
| Year |
2021 | Publication | Protein Science | Abbreviated Journal | Protein Sci |
| Volume | 30 | Issue | 4 | Pages | 830-841 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Perfluorooctanoic acid (PFOA) is a toxic compound that is absorbed and distributed throughout the body by noncovalent binding to serum proteins such as human serum albumin (hSA). Though the interaction between PFOA and hSA has been already assessed using various analytical techniques, a high resolution and detailed analysis of the binding mode is still lacking. We report here the crystal structure of hSA in complex with PFOA and a medium-chain saturated fatty acid (FA). A total of eight distinct binding sites, four occupied by PFOAs and four by FAs, have been identified. In solution binding studies confirmed the 4:1 PFOA-hSA stoichiometry and revealed the presence of one high and three low affinity binding sites. Competition experiments with known hSA-binding drugs allowed locating the high affinity binding site in sub-domain IIIA. The elucidation of the molecular basis of the interaction between PFOA and hSA might provide not only a better assessment of the absorption and elimination mechanisms of these compounds in vivo but also have implications for the development of novel molecular receptors for diagnostic and biotechnological applications. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000625392600001 | Publication Date | 2021-02-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0961-8368 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.523 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 2.523 | |||
| Call Number | UA @ admin @ c:irua:176725 | Serial | 8714 | ||
| Permanent link to this record | |||||
| Author | Ortiz-Aguayo, D.; De Wael, K.; del Valle, M. | ||||
| Title | Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents | Type | A1 Journal article | ||
| Year |
2021 | Publication | Journal Of Electroanalytical Chemistry | Abbreviated Journal | J Electroanal Chem |
| Volume | 902 | Issue | Pages | 115770 | |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000714415500006 | Publication Date | 2021-10-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1572-6657; 1873-2569 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.012 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.012 | |||
| Call Number | UA @ admin @ c:irua:184018 | Serial | 8745 | ||
| Permanent link to this record | |||||
| Author | Parrilla, M.; De Wael, K. | ||||
| Title | Wearable self‐powered electrochemical devices for continuous health management | Type | A1 Journal article | ||
| Year |
2021 | Publication | Advanced Functional Materials | Abbreviated Journal | Adv Funct Mater |
| Volume | 31 | Issue | 50 | Pages | 2107042 |
| 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 | The wearable revolution is already present in society through numerous gadgets. However, the contest remains in fully deployable wearable (bio)chemical sensing. Its use is constrained by the energy consumption which is provided by miniaturized batteries, limiting the autonomy of the device. Hence, the combination of materials and engineering efforts to develop sustainable energy management is paramount in the next generation of wearable self-powered electrochemical devices (WeSPEDs). In this direction, this review highlights for the first time the incorporation of innovative energy harvesting technologies with top-notch wearable self-powered sensors and low-powered electrochemical sensors toward battery-free and self-sustainable devices for health and wellbeing management. First, current elements such as wearable designs, electrochemical sensors, energy harvesters and storage, and user interfaces that conform WeSPEDs are depicted. Importantly, the bottlenecks in the development of WeSPEDs from an analytical perspective, product side, and power needs are carefully addressed. Subsequently, energy harvesting opportunities to power wearable electrochemical sensors are discussed. Finally, key findings that will enable the next generation of wearable devices are proposed. Overall, this review aims to bring new strategies for an energy-balanced deployment of WeSPEDs for successful monitoring of (bio)chemical parameters of the body toward personalized, predictive, and importantly, preventive healthcare. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000694642500001 | Publication Date | 2021-09-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1616-301x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 12.124 | |||
| Call Number | UA @ admin @ c:irua:181306 | Serial | 8750 | ||
| Permanent link to this record | |||||
| Author | Mazzeo, P.P.; Canossa, S.; Carraro, C.; Pelagatti, P.; Bacchi, A. | ||||
| Title | Systematic coformer contribution to cocrystal stabilization: energy and packing trends | Type | A1 Journal article | ||
| Year |
2020 | Publication | Crystengcomm | Abbreviated Journal | Crystengcomm |
| Volume | 22 | Issue | 43 | Pages | 7341-7349 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Polycyclic aromatic compounds such as acridine and phenazine are popular molecular partners used in cocrystal synthesis. The intermolecular interactions occurring between coformers and their molecular partners dominate the cocrystal packing energy, but coformer self-interactions might participate with a constant non-negligible contribution to the overall packing energy stabilization. Two new acridine-based cocrystals have been mechanochemically synthesized, then fully characterized<italic>via</italic>DSC and SCXRD analyses. A statistical analysis in the CSD has been performed to evaluate the recurrent π–π stacking orientation of polycyclic coformers in all deposited acridine-based cocrystals, then extended to phenazine-base analogs. Packing energy calculations were performed on a selected cocrystal subset to quantify the contribution of the π–π interaction to the overall stabilization energy. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000589506600017 | Publication Date | 2020-03-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1466-8033 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.1 | Times cited | Open Access | OpenAccess | |
| Notes | European Cooperation in Science and Technology, CA18112 ; Ministero delle Politiche Agricole Alimentari e Forestali, PAC/Packaging Attivo Cristallino ; | Approved | Most recent IF: 3.1; 2020 IF: 3.474 | ||
| Call Number | EMAT @ emat @c:irua:174262 | Serial | 6661 | ||
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| Author | Samaee, V.; Sandfeld, S.; Idrissi, H.; Groten, J.; Pardoen, T.; Schwaiger, R.; Schryvers, D. | ||||
| Title | Dislocation structures and the role of grain boundaries in cyclically deformed Ni micropillars | Type | A1 Journal article | ||
| Year |
2020 | Publication | Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing | Abbreviated Journal | Mat Sci Eng A-Struct |
| Volume | 769 | Issue | Pages | 138295 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Transmission electron microscopy and finite element-based dislocation simulations were combined to study the development of dislocation microstructures after cyclic deformation of single crystal and bicrystal Ni micropillars oriented for multi-slip. A direct correlation between large accumulation of plastic strain and the presence of dislocation cell walls in the single crystal micropillars was observed, while the presence of the grain boundary hampered the formation of wall-like structures in agreement with a smaller accumulated plastic strain. Automated crystallographic orientation and nanostrain mapping using transmission electron microscopy revealed the presence of lattice heterogeneities associated to the cell walls including long range elastic strain fields. By combining the nanostrain mapping with an inverse modelling approach, information about dislocation density, line orientation and Burgers vector direction was derived, which is not accessible otherwise in such dense dislocation structures. Simulations showed that the image forces associated with the grain boundary in this specific bicrystal configuration have only a minor influence on dislocation behavior. Thus, the reduced occurrence of “mature” cell walls in the bicrystal can be attributed to the available volume, which is too small to accommodate cell structures. | ||||
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| Language | Wos | 000500373800018 | Publication Date | 2019-08-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-5093 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | 1 | Open Access | OpenAccess |
| Notes | Financial support from the Flemish (FWO) and German Research Foundation (DFG) through the European M-ERA.NET project “FaSS” (Fatigue Simulation near Surfaces) under the grant numbers GA.014.13 N,SCHW855/5-1, and SA2292/2-1 is gratefully acknowledged. V.S. acknowledges the FWO research project G012012 N “Understanding nanocrystalline mechanical behaviour from structural investigations”. H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). S.S. acknowledges financial support from the European Research Council through the ERC Grant Agreement No. 759419 (MuDiLingo – A Multiscale Dislocation Language for Data- Driven Materials Science). | Approved | Most recent IF: 6.4; 2020 IF: 3.094 | ||
| Call Number | EMAT @ emat @c:irua:163475 | Serial | 5371 | ||
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| Author | Yang, M.; Chen, H.; Orekhov, A.; Lu, Q.; Lan, X.; Li, K.; Zhang, S.; Song, M.; Kong, Y.; Schryvers, D.; Du, Y. | ||||
| Title | Quantified contribution of β″ and β′ precipitates to the strengthening of an aged Al–Mg–Si alloy | Type | A1 Journal article | ||
| Year |
2020 | Publication | Materials Science And Engineering A-Structural Materials Properties Microstructure And Processing | Abbreviated Journal | Mat Sci Eng A-Struct |
| Volume | 774 | Issue | Pages | 138776 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | It is generally believed that β00 precipitates, rather than β0 precipitates, are the major strengthening precipitates in aged Al–Mg–Si alloys. The reason for this difference is not well understood. To clarify this, two samples of the same Al–Mg–Si alloy but with different aging states were prepared. The under-aged sample only contains nanoprecipitates of the β00 type, while the peak-aged one contains nearly equal volumes of β00 and β0 precipitates. We have, for the first time, separated the strengthening effect of the contribution from βʺ and βʹ precipitates, respectively, by an indirect approach based on high-precision measurements of volume fractions, number densities, sizes, proportions of the precipitates, their lattice strains, the composition and grain size of the matrix. The β0 precipitates, which take 45.6% of the total precipitate volume in the peak-aged sample, contribute to the entire precipitation strengthening by only 31.6%. The main reason why they are less useful compared to β00 precipitates has been found to be associated with their smaller lattice strains relative to the matrix, which is 0.99% versus 2.10% (for β00 ). |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000514747200001 | Publication Date | 2019-12-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-5093 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | Open Access | OpenAccess | |
| Notes | National Natural Science Foundation of China, 51531009 51711530713 51501230 ; Central South University, 2018gczd033 ; Flemish Science Foundation, VS.026.18N ; Program for Guangdong Introducing Innovative and Entrepreneurial Teams, 2016ZT06G025 ; Guangdong Natural Science Foundation, 2017B030306014 ; | Approved | Most recent IF: 6.4; 2020 IF: 3.094 | ||
| Call Number | EMAT @ emat @c:irua:165290 | Serial | 5440 | ||
| Permanent link to this record | |||||
| Author | Bal, K.M.; Bogaerts, A.; Neyts, E.C. | ||||
| Title | Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium | Type | A1 Journal article | ||
| Year |
2020 | Publication | Journal Of Physical Chemistry Letters | Abbreviated Journal | J Phys Chem Lett |
| Volume | 11 | Issue | 2 | Pages | 401-406 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We present an approach to incorporate the effect of vibrational nonequilibrium in molecular dynamics (MD) simulations. A perturbed canonical ensemble, in which selected modes are excited to higher temperature while all others remain equilibrated at low temperature, is simulated by applying a specifically tailored bias potential. Our method can be readily applied to any (classical or quantum mechanical) MD setup at virtually no additional computational cost and allows the study of reactions of vibrationally excited molecules in nonequilibrium environments such as plasmas. In combination with enhanced sampling methods, the vibrational efficacy and mode selectivity of vibrationally stimulated reactions can then be quantified in terms of chemically relevant observables, such as reaction rates and apparent free energy barriers. We first validate our method for the prototypical hydrogen exchange reaction and then show how it can capture the effect of vibrational excitation on a symmetric SN2 reaction and radical addition on CO2. | ||||
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| Language | Wos | 000508473400008 | Publication Date | 2020-01-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1948-7185 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.7 | Times cited | Open Access | ||
| Notes | Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Departement Economie, Wetenschap en Innovatie van de Vlaamse Overheid; K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation − Flanders), Grant 12ZI420N, and through a TOP-BOF research project of the University of Antwerp. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government− department EWI. | Approved | Most recent IF: 5.7; 2020 IF: 9.353 | ||
| Call Number | PLASMANT @ plasmant @c:irua:165587 | Serial | 5442 | ||
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| Author | Van Alphen, S.; Vermeiren, V.; Butterworth, T.; van den Bekerom, D.C.M.; van Rooij, G.J.; Bogaerts, A. | ||||
| Title | Power Pulsing To Maximize Vibrational Excitation Efficiency in N2Microwave Plasma: A Combined Experimental and Computational Study | Type | A1 Journal article | ||
| Year |
2020 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
| Volume | 124 | Issue | 3 | Pages | 1765-1779 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma is gaining increasing interest for N2 fixation, being a flexible, electricity-driven alternative for the current conventional fossil fuel-based N2 fixation processes. As the vibrational-induced dissociation of N2 is found to be an energy-efficient pathway to acquire atomic N for the fixation processes, plasmas that are in vibrational nonequilibrium seem promising for this application. However, an important challenge in using nonequilibrium plasmas lies in preventing vibrational−translational (VT) relaxation processes, in which vibrational energy crucial for N2 dissociation is lost to gas heating. We present here both experimental and modeling results for the vibrational and gas temperature in a microsecond-pulsed microwave (MW) N2 plasma, showing how power pulsing can suppress this unfavorable VT relaxation and achieve a maximal vibrational nonequilibrium. By means of our kinetic model, we demonstrate that pulsed plasmas take advantage of the long time scale on which VT processes occur, yielding a very pronounced nonequilibrium over the whole N2 vibrational ladder. Additionally, the effect of pulse parameters like the pulse frequency and pulse width are investigated, demonstrating that the advantage of pulsing to inhibit VT relaxation diminishes for high pulse frequencies (around 7000 kHz) and long power pulses (above 400 μs). Nevertheless, all regimes studied here demonstrate a clear vibrational nonequilibrium while only requiring a limited power-on time, and thus, we may conclude that a pulsed plasma seems very interesting for energyefficient vibrational excitation. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000509438600001 | Publication Date | 2020-01-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | Open Access | ||
| Notes | Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; This research was supported by the Excellence of Science FWO-FNRS project (FWO Grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 3.7; 2020 IF: 4.536 | ||
| Call Number | PLASMANT @ plasmant @c:irua:165586 | Serial | 5443 | ||
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| Author | Attri, P.; Razzokov, J.; Yusupov, M.; Koga, K.; Shiratani, M.; Bogaerts, A. | ||||
| Title | Influence of osmolytes and ionic liquids on the Bacteriorhodopsin structure in the absence and presence of oxidative stress: A combined experimental and computational study | Type | A1 Journal article | ||
| Year |
2020 | Publication | International Journal Of Biological Macromolecules | Abbreviated Journal | Int J Biol Macromol |
| Volume | 148 | Issue | Pages | 657-665 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Understanding the folding and stability of membrane proteins is of great importance in protein science. Recently, osmolytes and ionic liquids (ILs) are increasingly being used as drug delivery systems in the biopharmaceutical industry. However, the stability of membrane proteins in the presence of osmolytes and ILs is not yet fully understood. Besides, the effect of oxidative stress on membrane proteins with osmolytes or ILs has not been investigated. Therefore, we studied the influence of osmolytes and ILs as co-solvents on the stability of a model membrane protein (i.e., Bacteriorhodopsin in purple membrane of Halobacterium salinarum), using UV–Vis spectroscopy and molecular dynamics (MD) simulations. The MD simulations allowed us to determine the flexibility and solvent accessible surface area (SASA) of Bacteriorhodopsin protein in the presence and/or absence of cosolvents, as well as to carry out principal component analysis (PCA) to identify the most important movements in this protein. In addition, by means of UV–Vis spectroscopy we studied the effect of oxidative stress generated by cold atmospheric plasma on the stability of Bacteriorhodopsin in the presence and/or absence of co-solvents. This study is important for a better understanding of the stability of proteins in the presence of oxidative stress. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000522094600066 | Publication Date | 2020-01-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0141-8130 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.2 | Times cited | Open Access | ||
| Notes | Horizon2020, 743546 ; JSPS, 19H05462 16H03895 ; Nagoya University; We gratefully acknowledge the European Marie Skłodowska-Curie Individual Fellowship “Anticancer-PAM” within Horizon2020 (grant number 743546). This work was also supported by JSPS-KAKENHI 19H05462 and 16H03895, the joint usage/research program of Center for Low-temperature Plasma Science, Nagoya University and also supported by JSPS and RCL under the Japan-Lithuania Research Cooperative Program. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. | Approved | Most recent IF: 8.2; 2020 IF: 3.671 | ||
| Call Number | PLASMANT @ plasmant @c:irua:165585 | Serial | 5444 | ||
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| Author | Peeters, H.; Keulemans, M.; Nuyts, G.; Vanmeert, F.; Li, C.; Minjauw, M.; Detavernier, C.; Bals, S.; Lenaerts, S.; Verbruggen, S.W. | ||||
| Title | Plasmonic gold-embedded TiO2 thin films as photocatalytic self-cleaning coatings | Type | A1 Journal article | ||
| Year |
2020 | Publication | Applied Catalysis B-Environmental | Abbreviated Journal | Appl Catal B-Environ |
| Volume | 267 | Issue | 267 | Pages | 118654 |
| 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) | ||||
| Abstract | Transparent photocatalytic TiO2 thin films hold great potential in the development of self-cleaning glass sur- faces, but suffer from a poor visible light response that hinders the application under actual sunlight. To alleviate this problem, the photocatalytic film can be modified with plasmonic nanoparticles that interact very effectively with visible light. Since the plasmonic effect is strongly concentrated in the near surroundings of the nano- particle surface, an approach is presented to embed the plasmonic nanostructures in the TiO2 matrix itself, rather than deposit them loosely on the surface. This way the interaction interface is maximised and the plasmonic effect can be fully exploited. In this study, pre-fabricated gold nanoparticles are made compatible with the organic medium of a TiO2 sol-gel coating suspension, resulting in a one-pot coating suspension. After spin coating, homogeneous, smooth, highly transparent and photoactive gold-embedded anatase thin films are ob- tained. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000518865300002 | Publication Date | 2020-01-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 22.1 | Times cited | 57 | Open Access | OpenAccess |
| Notes | H.P. is grateful to the Research Foundation Flanders (FWO) for an aspirant PhD scholarship. | Approved | Most recent IF: 22.1; 2020 IF: 9.446 | ||
| Call Number | EMAT @ emat @c:irua:165616 | Serial | 5446 | ||
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| Author | Rahemi, V.; Trashin, S.; Hafideddine, Z.; Van Doorslaer, S.; Meynen, V.; Gorton, L.; De Wael, K. | ||||
| Title | Amperometric flow-injection analysis of phenols induced by reactive oxygen species generated under daylight irradiation of titania impregnated with horseradish peroxidase | Type | A1 Journal article | ||
| Year |
2020 | Publication | Analytical Chemistry | Abbreviated Journal | Anal Chem |
| Volume | 92 | Issue | 92 | Pages | 3643-3649 |
| Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Titanium dioxide (TiO2) is a unique material for biosensing applications due to its capability of hosting enzymes. For the first time, we show that TiO2 can accumulate reactive oxygen species (ROS) under daylight irradiation and can support the catalytic cycle of horseradish peroxidase (HRP) without the need of H2O2 to be present in the solution. Phenolic compounds, such as hydroquinone (HQ) and 4-aminophenol (4-AP), were detected amperometrically in flow-injection analysis (FIA) mode via the use of an electrode modified with TiO2 impregnated with HRP. In contrast to the conventional detection scheme, no H2O2 was added to the analyte solution. Basically, the inherited ability of TiO2 to generate reactive oxygen species is used as a strategy to avoid adding H2O2 in the solution during the detection of phenolic compounds. Electron paramagnetic resonance (EPR) spectroscopy indicates the presence of ROS on titania which, in interaction with HRP, initiate the electrocatalysis toward phenolic compounds. The amperometric response to 4-AP was linear in the concentration range between 0.05 and 2 μM. The sensitivity was 0.51 A M–1 cm–2, and the limit of detection (LOD) 26 nM. The proposed sensor design opens new opportunities for the detection of phenolic traces by HRP-based electrochemical biosensors, yet in a more straightforward and sensitive way following green chemistry principles of avoiding the use of reactive and harmful chemical, such as H2O2. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000518234700023 | Publication Date | 2020-01-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.4 | Times cited | 3 | Open Access | |
| Notes | ; The authors thank Scientific Reseatch-Flanders (F-WO) (grant 12T4219N) for funding. ; | Approved | Most recent IF: 7.4; 2020 IF: 6.32 | ||
| Call Number | UA @ admin @ c:irua:166241 | Serial | 5463 | ||
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| Author | Muhammad, S.; Wuyts, K.; Nuyts, G.; De Wael, K.; Samson, R. | ||||
| Title | Characterization of epicuticular wax structures on leaves of urban plant species and its association with leaf wettability | Type | A1 Journal article | ||
| Year |
2020 | Publication | Urban Forestry & Urban Greening | Abbreviated Journal | Urban For Urban Gree |
| Volume | 47 | Issue | 47 | Pages | 126557 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Epicuticular wax (EW) protects the plant’s integrity and acts as a barrier against biotic and abiotic stresses. The micro-structured three-dimensional EW’s and presence of leaf trichomes influence the wettability of a leaf surface. In this study, leaves of 96 perennial urban plant species were examined to determine an association between epicuticular wax structure (EWS) types and leaf wettability and investigate their seasonal variation. The EWS types were identified using Scanning Electron Microscopy (SEM), while leaf wettability was analyzed by measuring the drop contact angle (DCA) on both the abaxial and the adaxial sides of leaves collected from a common garden in June and September 2016. Four distinct EWS types namely thin film, platelets, crusts, and tubules were observed on leaves of investigated plant species in both June and September. The EWS types varied significantly between functional plant types and plant families in both June and September. In June, the abaxial DCA ranged from 56° to 147°, and the adaxial DCA ranged from 56° to 136°. In September, the abaxial DCA ranged from 54° to 130°, and the adaxial DCA ranged from 51° to 125°. The effect of time, leaf side, and EWS type on leaf wettability were significant. Plant species which showed a change in EWS type or clustering from June to September did not show a more pronounced reduction in DCA compared to those species which exhibited a constant EWS type. Findings from our study illustrate that DCA is not a good indicator in determining the different EWS types due to overlapping DCA intervals between the identified EWS types. However, the identified EWS types remained fairly stable throughout the in-leaf season and do not require repeated measurements for characterization. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000508389000028 | Publication Date | 2019-12-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1618-8667 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | 5 | Open Access | |
| Notes | ; The research was funded by the Ontario Student Assistance Program (OSAP # 15103399). The SEM equipment was funded by FWO/Hercules. The authors acknowledge the help of the ENdEMIC group involved in the upkeep of the experimental site. The authors would like to thank the anonymous reviewers for their critical comments and constructive suggestions in improving the quality of the article. ; | Approved | Most recent IF: 6.4; 2020 IF: 2.113 | ||
| Call Number | UA @ admin @ c:irua:164906 | Serial | 5504 | ||
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| Author | Castanheiro, A.; Hofman, J.; Nuyts, G.; Joosen, S.; Spassov, S.; Blust, R.; Lenaerts, S.; De Wael, K.; Samson, R. | ||||
| Title | Leaf accumulation of atmospheric dust : biomagnetic, morphological and elemental evaluation using SEM, ED-XRF and HR-ICP-MS | Type | A1 Journal article | ||
| Year |
2020 | Publication | Atmospheric Environment | Abbreviated Journal | Atmos Environ |
| Volume | 221 | Issue | 221 | Pages | 117082 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Atmospheric dust deposition on plants enables the collection of site-specific particulate matter (PM). Knowing the morphology and composition of PM aids in disclosing their emitting sources as well as the associated human health risk. Therefore, this study aimed for a leaf-level holistic analysis of dust accumulation on plant leaves. Plant species (ivy and strawberry) with distinct leaf macro- and micro-morphology were exposed during 3 months at a moderate road traffic site in Antwerp, Belgium. Leaves collected every three weeks were analyzed for their magnetic signature, morphology and elemental content, by a combination of techniques (biomagnetic analyses, ED-XRF, HR-ICP-MS, SEM). Dust accumulation on the leaves was observed both visually (SEM) and magnetically, while the metal enrichment was limited (only evident for Cr) and more variable over time. Temporal dynamics during the second half of the exposure period, due to precipitation events and reduction of atmospheric pollution input, were evidenced in our results (elements/magnetically/SEM). Ivy accumulated more dust than strawberry leaves and seemed less susceptible to wash-off, even though strawberry leaves contain trichomes and a rugged micromorphology, leaf traits considered to be important for capturing PM. The magnetic enrichment (in small-grained, SD/PSD magnetite particles), on the other hand, was not species-specific, indicating a common contributing source. Variations in pollution contributions, meteorological phenomena, leaf traits, particle deposition (and encapsulation) versus micronutrients depletion, are discussed in light of the conducted monitoring campaign. Although not completely elucidative, the complex, multifactorial process of leaf dust accumulation can better be understood through a combination of techniques. | ||||
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| Language | Wos | 000503097100001 | Publication Date | 2019-11-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1352-2310 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5 | Times cited | Open Access | ||
| Notes | ; The authors thank the Flemish Environment Agency (VMM) for their collaboration and air quality and meteorological data, and Karen Wuyts for the discussion about plant leaf characteristics. A.C. gratefully acknowledges the Research Foundation Flanders (FWO) for her PhD fellowship (1S21418N). J.H. received a FWO postdoctoral fellowship grant (1214816N). ; | Approved | Most recent IF: 5; 2020 IF: 3.629 | ||
| Call Number | UA @ admin @ c:irua:165458 | Serial | 5691 | ||
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| Author | Khan, S.U.; Trashin, S.A.; Korostei, Y.S.; Dubinina, T.V.; Tomilova, L.G.; Verbruggen, S.W.; De Wael, K. | ||||
| Title | Photoelectrochemistry for measuring the photocatalytic activity of soluble photosensitizers | Type | A1 Journal article | ||
| Year |
2020 | Publication | ChemPhotoChem | Abbreviated Journal | |
| Volume | 4 | Issue | 4 | Pages | 300-306 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | We introduce a rapid method to test the photocatalytic activity of singlet‐oxygen‐producing photosensitizers using a batch cell, a LED laser and a conventional potentiostat. The strategy is based on coupling of photo‐oxidation of hydroquinone and simultaneous electrochemical reduction of its oxidized form at a carbon electrode in an organic solvent (methanol). This scheme gives an immediate response and avoids complications related to long‐term experiments such as oxidative photo‐degradation of photosensitizers and singlet oxygen traps by reactive oxygen species (ROS). Among the tested compounds, a fluoro‐substituted subphthalocyanine showed the highest photocurrent and singlet oxygen quantum yield (ΦΔ) in comparison to phenoxy‐ and tert‐butyl‐substituted analogues, whereas the lowest photocurrents and yields were observed for aggregated and dimeric phthalocyanine complexes. The method is useful for fast screening of the photosensitizing activity and represents the first example of one‐pot coupling of electrochemical and photocatalytic reactions in organic media. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000520100400001 | Publication Date | 2020-01-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2367-0932 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 1 | Open Access | |
| Notes | ; We gratefully acknowledge the financial support by ERA.Net RUS Plus Plasmon Electrolight project (No. 18-53-76006 ERA) and RSF 17-13-01197. ; | Approved | Most recent IF: 3.7; 2020 IF: NA | ||
| Call Number | UA @ admin @ c:irua:165912 | Serial | 5771 | ||
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| Author | Peeters, M.; Compernolle, T.; Van Passel, S. | ||||
| Title | Simulation of a controlled water heating system with demand response remunerated on imbalance market pricing | Type | A1 Journal article | ||
| Year |
2020 | Publication | Journal of building engineering | Abbreviated Journal | |
| Volume | 27 | Issue | 27 | Pages | 100969 |
| Keywords | A1 Journal article; Economics; Engineering sciences. Technology; Economics; Engineering Management (ENM) | ||||
| Abstract | Buildings are responsible for 40% of our worldwide energy consumption and 50% of this energy is converted for Heating Ventilation Air Conditioning (HVAC) systems in buildings. The increasing share of renewable energy production required to make the transition towards a carbon neutral energy system challenges the stability of the grid. Through demand response it becomes possible to activate these systems in support of grid balancing. However, this flexibility is currently not rewarded in the market. We simulate a domestic water heater participating in the balancing of the electricity net and calculated the revenue from this action. We simulate a water heater in connection with an Economic Model Predictive Controller (EMPC) which takes future usage, energy cost, and reward for delivering balanced power into account. We show that the choice of an EMPC controller is valid as it allows the setpoint to change if certain conditions are met, leading to a more optimal revenue stream from selling flexibility. We find that the economic benefits of participating in delivering balancing power is considerable and offset an increase in energy costs. The increase in energy consumption could be justified as the participation in net stabilisation allows the macro-system to integrate more renewable energy sources. More importantly, the simulations also show that the poorer the energy performance of the water heater, the more flexibility can be sold. From a policy point of view, a minimal energy performance should be determined before allowing participation in net stabilisation. | ||||
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| Language | Wos | 000502361000075 | Publication Date | 2019-09-27 | |
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| ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | ; Tine Compernolle thanks the Research Foundation Flanders (FWO) for funding her postdoctoral mandate [grant number 12M7417N]. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:164236 | Serial | 6248 | ||
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| Author | Gezahegn, T.W.; Van Passel, S.; Berhanu, T.; D'haese, M.; Maertens, M. | ||||
| Title | Do bottom-up and independent agricultural cooperatives really perform better? Insights from a technical efficiency analysis in Ethiopia | Type | A1 Journal article | ||
| Year |
2020 | Publication | Agrekon | Abbreviated Journal | Agrekon |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Engineering Management (ENM) | ||||
| Abstract | The cooperative landscape in Ethiopia is very heterogeneous with a mixture of remains of the pre-1991 government-controlled system and new post-1991 bottom-up collective action initiatives. This heterogeneity, coupled with a large growth in the number of cooperatives in the country, offers an interesting perspective to study the determinants of the (in)efficiency of cooperatives. In this paper, we analyse the performance of Ethiopian agricultural cooperatives, focusing on the degree of technical (in)efficiency and its determinants. We use the stochastic frontier approach in which we account for heteroskedasticity and the monotonicity of production functions, presenting a methodological improvement with respect to previous technical efficiency studies. The results show that NGO- and government-initiated cooperatives are less efficient than community-initiated ones, implying that governments and NGOs should not interfere too strongly in cooperative formation. Cooperatives with a high degree of heterogeneity in members' participation are found to be about 98% less efficient, while cooperatives that have paid employees are 33% more efficient. Besides, results show that cooperatives in Ethiopia function more efficiently if they incentivize committee members through monetary compensation. | ||||
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| Language | Wos | 000487651200001 | Publication Date | 2019-09-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0303-1853 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.3 | Times cited | Open Access | ||
| Notes | ; The authors acknowledge funding from the VLIR-UOS TEAM Program (VLIR-UOS-ZEIN2015PR406 (13V95615T), Belgium. ; | Approved | Most recent IF: 1.3; 2020 IF: 0.224 | ||
| Call Number | UA @ admin @ c:irua:163772 | Serial | 6184 | ||
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| Author | Rafiaani, P.; Kuppens, T.; Thomassen, G.; Van Dael, M.; Azadi, H.; Lebailly, P.; Van Passel, S. | ||||
| Title | A critical view on social performance assessment at company level : social life cycle analysis of an algae case | Type | A1 Journal article | ||
| Year |
2020 | Publication | International Journal Of Life Cycle Assessment | Abbreviated Journal | Int J Life Cycle Ass |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Engineering Management (ENM) | ||||
| Abstract | Purpose Social indicators are not easy to be quantitatively analyzed, although at the local scale, the social impacts might be relevant and important. Using the existing approaches for both quantitative and semi-qualitative measurements, this study aims to assess the social impacts of a company working on algae production systems in Belgium through social life cycle analysis (SLCA). By highlighting the opportunities and challenges on the way of applying the existing SLCA approaches at company level, the objective of this study is to contribute to the development of a suitable and clear SLCA approach when a company is considered as the unit of analysis. Methods Based on the list of potential social impact categories suggested by the United Nations Environment Program/Society of Environmental Toxicology and Chemistry (UNEP/SETAC) guidelines (2009) for SLCA, three stakeholder groups (workers, consumers, and local community) and three subcategories associated with each stakeholder group were identified as the most relevant for carbon capture and utilization technologies. Company and sector level data were collected using existing documents and reports, and the data were analyzed and scored using a combined quantitative and semi-quantitative approach to develop a social assessment model for the case study. Results and discussion The company appears to perform well for all the evaluated social indicators except the one related to the subcategory “equal opportunity/discrimination for workers” for which the share of women employed is lower compared with the sector-level data. The results of our assessment were further discussed regarding the challenges and limitations of performing SLCA at the company level. Based on our experience, the validity of the outcomes is significantly influenced by the data availability, the generality of the indicators introduced within the UNEP/SETAC guidelines, and the subjectivity in data collection for the semi-quantitative assessment among others. Conclusions By highlighting the difficulties and challenges of applying the SLCA at the company level, our study provides a starting point for improving the quantitative assessment and monitoring social implications at the company level within a regional foreground in Europe. | ||||
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| Language | Wos | 000492643600001 | Publication Date | 2019-10-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0948-3349; 1614-7502 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.8 | Times cited | 1 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 4.8; 2020 IF: 3.173 | ||
| Call Number | UA @ admin @ c:irua:164676 | Serial | 6141 | ||
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| Author | Bafekry, A.; Stampfl, C.; Shayesteh, S.F. | ||||
| Title | A first-principles study of C3N nanostructures : control and engineering of the electronic and magnetic properties of nanosheets, tubes and ribbons | Type | A1 Journal article | ||
| Year |
2020 | Publication | Chemphyschem | Abbreviated Journal | Chemphyschem |
| Volume | 21 | Issue | 2 | Pages | 164-174 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using first-principles calculations we systematically investigate the atomic, electronic and magnetic properties of novel two-dimensional materials (2DM) with a stoichiometry C3N which has recently been synthesized. We investigate how the number of layers affect the electronic properties by considering monolayer, bilayer and trilayer structures, with different stacking of the layers. We find that a transition from semiconducting to metallic character occurs which could offer potential applications in future nanoelectronic devices. We also study the affect of width of C3N nanoribbons, as well as the radius and length of C3N nanotubes, on the atomic, electronic and magnetic properties. Our results show that these properties can be modified depending on these dimensions, and depend markedly on the nature of the edge states. Functionalization of the nanostructures by the adsorption of H adatoms is found induce metallic, half-metallic, semiconducting and ferromagnetic behavior, which offers an approach to tailor the properties, as can the application of strain. Our calculations give insight into this new family of C3N nanostructures, which reveal unusual electronic and magnetic properties, and may have great potential in applications such as sensors, electronics and optoelectronic at the nanoscale. | ||||
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| Language | Wos | 000503453100001 | Publication Date | 2019-11-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1439-4235 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.9 | Times cited | 27 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.9; 2020 IF: 3.075 | ||
| Call Number | UA @ admin @ c:irua:165045 | Serial | 6282 | ||
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| Author | Bafekry, A.; Stampfl, C.; Ghergherehchi, M.; Shayesteh, S.F. | ||||
| Title | A first-principles study of the effects of atom impurities, defects, strain, electric field and layer thickness on the electronic and magnetic properties of the C2N nanosheet | Type | A1 Journal article | ||
| Year |
2020 | Publication | Carbon | Abbreviated Journal | Carbon |
| Volume | 157 | Issue | 157 | Pages | 371-384 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Using the first-principles calculations, we explore the structural and novel electronic/optical properties of the C2N nanosheet. To this goal, we systematically investigate the affect of layer thickness, electrical field and strain on the electronic properties of the C2N nanosheet. By increasing the thickness of C2N, we observed that the band gap decreases. Moreover, by applying an electrical field to bilayer C2N, the band gap decreases and a semiconductor-to-metal transition can occur. Our results also confirm that uniaxial and biaxial strain can effectively alter the band gap of C2N monolayer. Furthermore, we show that the electronic and magnetic properties of C2N can be modified by the adsorption and substitution of various atoms. Depending on the species of embedded atoms, they may induce semiconductor (O, C, Si and Be), metal (S, N, P, Na, K, Mg and Ca), dilute-magnetic semiconductor (H, F, B), or ferro-magnetic-metal (Cl, Li) character in C2N monolayer. It was also found that the inclusion of hydrogen or oxygen impurities and nitrogen vacancies, can induce magnetism in the C2N monolayer. These extensive calculations can be useful to guide future studies to modify the electronic/optical properties of two-dimensional materials. (C) 2019 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000502548500044 | Publication Date | 2019-10-22 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-6223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.9 | Times cited | 49 | Open Access | |
| Notes | ; This work was supported by the National Research Foundation of Korea grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). We are thankful for comments by Meysam Baghery Tagani from department of physics in University of Guilan and Bohayra Mortazavi from Gottfried Wilhelm Leibniz Universitat Hannover, Hannover, Germany. ; | Approved | Most recent IF: 10.9; 2020 IF: 6.337 | ||
| Call Number | UA @ admin @ c:irua:165024 | Serial | 6283 | ||
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| Author | Choukroun, D.; Daems, N.; Kenis, T.; Van Everbroeck, T.; Hereijgers, J.; Altantzis, T.; Bals, S.; Cool, P.; Breugelmans, T. | ||||
| Title | Bifunctional nickel-nitrogen-doped-carbon-supported copper electrocatalyst for CO2 reduction | Type | A1 Journal article | ||
| Year |
2020 | Publication | Journal Of Physical Chemistry C | Abbreviated Journal | J Phys Chem C |
| Volume | 124 | Issue | 124 | Pages | 1369-1381 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | Bifunctionality is a key feature of many industrial catalysts, supported metal clusters and particles in particular, and the development of such catalysts for the CO2 reduction reaction (CO2RR) to hydrocarbons and alcohols is gaining traction in light of recent advancements in the field. Carbon-supported Cu nanoparticles are suitable candidates for integration in the state-of-the-art reaction interfaces, and here, we propose, synthesize, and evaluate a bifunctional Ni–N-doped-C-supported Cu electrocatalyst, in which the support possesses active sites for selective CO2 conversion to CO and Cu nanoparticles catalyze either the direct CO2 or CO reduction to hydrocarbons. In this work, we introduce the scientific rationale behind the concept, its applicability, and the challenges with regard to the catalyst. From the practical aspect, the deposition of Cu nanoparticles onto carbon black and Ni–N–C supports via an ammonia-driven deposition precipitation method is reported and explored in more detail using X-ray diffraction, thermogravimetric analysis, and hydrogen temperature-programmed reduction. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and energy-dispersive X-ray spectroscopy (EDXS) give further evidence of the presence of Cu-containing nanoparticles on the Ni–N–C supports while revealing an additional relationship between the nanoparticle’s composition and the electrode’s electrocatalytic performance. Compared to the benchmark carbon black-supported Cu catalysts, Ni–N–C-supported Cu delivers up to a 2-fold increase in the partial C2H4 current density at −1.05 VRHE (C1/C2 = 0.67) and a concomitant 10-fold increase of the CO partial current density. The enhanced ethylene production metrics, obtained by virtue of the higher intrinsic activity of the Ni–N–C support, point out toward a synergistic action between the two catalytic functionalities. | ||||
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| Language | Wos | 000508467700015 | Publication Date | 2020-01-07 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 24 | Open Access | OpenAccess |
| Notes | ; N.D. acknowledges sponsoring from the research foundation of Flanders (FWO) in the frame of a postdoctoral grant (12Y3919N N.D.). J.H. greatly acknowledges the Research Foundation Flanders (FWO) for support through a postdoctoral fellowship (28761). T.V.E. and P.C. acknowledge financial support from the EU-Partial-PGMs project (H2020NMP-686086). The authors also acknowledge financial support from the university research fund (BOF-GOA PS ID No. 33928). ; | Approved | Most recent IF: 3.7; 2020 IF: 4.536 | ||
| Call Number | UA @ admin @ c:irua:165326 | Serial | 6286 | ||
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| Author | Callaert, C. | ||||
| Title | Characterization of defects, modulations and surface layers in topological insulators and structurally related compounds | Type | Doctoral thesis | ||
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2020 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 180 p. | ||
| Keywords | Doctoral thesis; Electron microscopy for materials research (EMAT) | ||||
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| Language | Wos | Publication Date | |||
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| 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:165867 | Serial | 6288 | ||
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| Author | Smith, J.D.; Bladt, E.; Burkhart, J.A.C.; Winckelmans, N.; Koczkur, K.M.; Ashberry, H.M.; Bals, S.; Skrabalak, S.E. | ||||
| Title | Defect-directed growth of symmetrically branched metal nanocrystals | Type | A1 Journal article | ||
| Year |
2020 | Publication | Angewandte Chemie-International Edition | Abbreviated Journal | Angew Chem Int Edit |
| Volume | 59 | Issue | 59 | Pages | 943-950 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Branched plasmonic nanocrystals (NCs) have attracted much attention due to electric field enhancements at their tips. Seeded growth provides routes to NCs with defined branching patterns and, in turn, near-field distributions with defined symmetries. Here, a systematic analysis was undertaken in which seeds containing different distributions of planar defects were used to grow branched NCs in order to understand how their distributions direct the branching. Characterization of the products by multimode electron tomography and analysis of the NC morphologies at different overgrowth stages indicate that the branching patterns are directed by the seed defects, with the emergence of branches from the seed faces consistent with minimizing volumetric strain energy at the expense of surface energy. These results contrast with growth of branched NCs from single-crystalline seeds and provide a new platform for the synthesis of symmetrically branched plasmonic NCs. | ||||
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| Language | Wos | 000498760200001 | Publication Date | 2019-11-13 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 16.6 | Times cited | 23 | Open Access | OpenAccess |
| Notes | ; The authors thank Samantha Harvey for her initial observations of branched structures, Alexander Chen for his help with SAED, the staff of the Nanoscale Characterization Facility (Dr. Yi Yi), Electron Microscopy Center (Dr. David Morgan and Dr. Barry Stein), and Molecular Structure Center at Indiana University. J.S. recognizes a fellowship provided by the Indiana Space Grant Consortium. E.B. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). This project has received funding to S.E.S. from the U.S. National Science Foundation (award numbers: 1602476 and 1904499) and Research Corporation for Scientific Advancement (2017 Frontiers in Research Excellence and Discovery Award) as well as to S.B. from the European Union's Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO). ; sygma | Approved | Most recent IF: 16.6; 2020 IF: 11.994 | ||
| Call Number | UA @ admin @ c:irua:165124 | Serial | 6293 | ||
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| Author | Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G. | ||||
| Title | Growth mechanism of epitaxial SrTiO3 on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface | Type | A1 Journal article | ||
| Year |
2020 | Publication | Journal Of Materials Chemistry C | Abbreviated Journal | J Mater Chem C |
| Volume | 8 | Issue | 2 | Pages | 518-527 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand. | ||||
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| Language | Wos | 000506852400036 | Publication Date | 2019-10-28 | |
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| ISSN | 2050-7526; 2050-7534 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.4 | Times cited | 12 | Open Access | OpenAccess |
| Notes | ; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ; | Approved | Most recent IF: 6.4; 2020 IF: 5.256 | ||
| Call Number | UA @ admin @ c:irua:165672 | Serial | 6298 | ||
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| Author | Vets, C. | ||||
| Title | Growth properties of carbon nanomaterials : towards tuning for electronic applications | Type | Doctoral thesis | ||
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2020 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | 130 p. | ||
| Keywords | Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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| Language | Wos | Publication Date | |||
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| ISSN | ISBN | Additional Links | UA library record | ||
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:164737 | Serial | 6299 | ||
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