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Records |
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Author |
Wittner, N.; Vasilakou, K.; Broos, W.; Vlaeminck, S.E.; Nimmegeers, P.; Cornet, I. |
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Title |
Investigating the technical and economic potential of solid-state fungal pretreatment at nonsterile conditions for sugar production from poplar wood |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Industrial and engineering chemistry research |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-11 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Pretreatment is crucial for the conversion of lignocellulose to biofuels. Unlike conventional chemical/physicochemical methods, fungal pretreatment uses white-rot fungi and mild reaction conditions. However, challenges, including substrate sterilization, long duration, and low sugar yields associated with this method, contribute to lower techno-economic performance, an aspect that has rarely been investigated. This study aimed to evaluate the feasibility of fungal pretreatment of nonsterilized poplar wood. Various factors, including inoculum types, fermentation supplements, and cultivation methods, were investigated to optimize the process. A techno-economic assessment of the optimized processes was performed at a full biorefinery scale. The scenario using nonsterilized wood as a substrate, precolonized wood as an inoculum, and a 4 week pretreatment showed a 14.5% reduction in sugar production costs (€2.15/kg) compared to using sterilized wood. Although the evaluation of nonsterilized wood pretreatment showed promising cost reductions, fungal pretreatment remained more expensive than conventional methods due to the significant capital investment required. |
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Place of Publication |
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Wos  |
001102138000001 |
Publication Date |
2023-10-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0888-5885; 1520-5045 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.2 |
Times cited |
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Open Access |
Not_Open_Access: Available from 24.04.2024 |
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Notes |
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Approved |
Most recent IF: 4.2; 2023 IF: 2.843 |
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Call Number |
UA @ admin @ c:irua:200155 |
Serial |
8891 |
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| Permanent link to this record |
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Author |
Xiang, F.; Gupta, A.; Chaves, A.; Krix, Z.E.; Watanabe, K.; Taniguchi, T.; Fuhrer, M.S.; Peeters, F.M.; Neilson, D.; Milošević, M.V.; Hamilton, A.R. |
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Title |
Intra-zero-energy Landau level crossings in bilayer graphene at high electric fields |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Nano letters |
Abbreviated Journal |
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| |
Volume |
23 |
Issue |
21 |
Pages |
9683-9689 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The highly tunable band structure of the zero-energy Landau level (zLL) of bilayer graphene makes it an ideal platform for engineering novel quantum states. However, the zero-energy Landau level at high electric fields has remained largely unexplored. Here we present magnetotransport measurements of bilayer graphene in high transverse electric fields. We observe previously undetected Landau level crossings at filling factors nu = -2, 1, and 3 at high electric fields. These crossings provide constraints for theoretical models of the zero-energy Landau level and show that the orbital, valley, and spin character of the quantum Hall states at high electric fields is very different from low electric fields. At high E, new transitions between states at nu = -2 with different orbital and spin polarization can be controlled by the gate bias, while the transitions between nu = 0 -> 1 and nu = 2 -> 3 show anomalous behavior. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
001102148900001 |
Publication Date |
2023-10-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-6984 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
10.8 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 10.8; 2023 IF: 12.712 |
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Call Number |
UA @ admin @ c:irua:201200 |
Serial |
9052 |
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| Permanent link to this record |
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Author |
Ulu Okudur, F.; Batuk, M.; Hadermann, J.; Safari, M.; De Sloovere, D.; Kumar Mylavarapu, S.; Joos, B.; D'Haen, J.; Van Bael, M.K.; Hardy, A. |
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Title |
Solution-gel-based surface modification of LiNi0.5Mn1.5O4-δ with amorphous Li-Ti-O coating |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
RSC advances |
Abbreviated Journal |
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| |
Volume |
13 |
Issue |
47 |
Pages |
33146-33158 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
LNMO (LiNi0.5Mn1.5O4-delta) is a high-energy density positive electrode material for lithium ion batteries. Unfortunately, it suffers from capacity loss and impedance rise during cycling due to electrolyte oxidation and electrode/electrolyte interface instabilities at high operating voltages. Here, a solution-gel synthesis route was used to coat 0.5-2.5 mu m LNMO particles with amorphous Li-Ti-O (LTO) for improved Li conduction, surface structural stability and cyclability. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) analysis coupled with energy dispersive X-ray (EDX) showed Ti-rich amorphous coatings/islands or Ti-rich spinel layers on many of the LTO-modified LNMO facets, with a thickness varying from about 1 to 10 nm. The surface modification in the form of amorphous islands was mostly possible on high-energy crystal facets. Physicochemical observations were used to propose a molecular mechanism for the surface modification, combining insights from metalorganic chemistry with the crystallographic properties of LNMO. The improvements in functional properties were investigated in half cells. The cell impedance increased faster for the bare LNMO compared to amorphous LTO modified LNMO, resulting in R-ct values as high as 1247 Omega (after 1000 cycles) for bare LNMO, against 216 Omega for the modified material. At 10C, the modified material boosted a 15% increase in average discharge capacity. The improvements in electrochemical performance were attributed to the increase in electrochemically active surface area, as well as to improved HF-scavenging, resulting in the formation of protective byproducts, generating a more stable interface during prolonged cycling. |
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Corporate Author |
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Place of Publication |
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Editor |
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Wos |
001102666700001 |
Publication Date |
2023-11-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2046-2069 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 3.108 |
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Call Number |
UA @ admin @ c:irua:202091 |
Serial |
9096 |
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| Permanent link to this record |
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Author |
Van Daele, S.; Hintjens, L.; Hoekx, S.; Bohlen, B.; Neukermans, S.; Daems, N.; Hereijgers, J.; Breugelmans, T. |
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Title |
How flue gas impurities affect the electrochemical reduction of CO₂ to CO and formate |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
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Volume |
341 |
Issue |
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Pages |
123345-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Applied Electrochemistry & Catalysis (ELCAT); Electron microscopy for materials research (EMAT) |
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Abstract |
The electrochemical CO2 reduction offers a promising solution to convert waste CO2 into valuable products like CO and formate. However, CO2 capture and purification remains an energy intensive process and therefore the direct usage of industrially available waste CO2 streams containing SO2, NO and O2 impurities becomes more interesting. This work demonstrates an efficient (Faradaic efficiency > 90 %) and stable performance over 20 h with 200 ppm SO2 or NO in the feed gas stream. However, the addition of 1 % O2 to the CO2 feed causes a significant drop in Faradaic efficiency to C-products due to the competitive oxygen reduction reaction. A potential mitigation strategy is to operate at higher total current density to firstly reduce most O2 and achieve sufficient product output from CO2 reduction. These results aid in understanding the impact of flue gas impurities during CO2 electrolysis which is crucial for potentially bypassing the CO2 purification step. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001102999000001 |
Publication Date |
2023-10-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
22.1 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 22.1; 2024 IF: 9.446 |
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Call Number |
UA @ admin @ c:irua:199490 |
Serial |
9044 |
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| Permanent link to this record |
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Author |
Perreault, P.; Boruntea, C.-R.; Dhawan Yadav, H.; Portela Soliño, I.; Kummamuru, N.B. |
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Title |
Combined methane pyrolysis and solid carbon gasification for electrified CO₂-free hydrogen and syngas production |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Energies |
Abbreviated Journal |
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Volume |
16 |
Issue |
21 |
Pages |
7316-7320 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The coupling of methane pyrolysis with the gasification of a solid carbon byproduct provides CO2-free hydrogen and hydrogen-rich syngas, eliminating the conundrum of carbon utilization. Firstly, the various types of carbon that are known to result during the pyrolysis process and their dependencies on the reaction conditions for catalytic and noncatalytic systems are summarized. The synchronization of the reactions’ kinetics is considered to be of paramount importance for efficient performance. This translates to the necessity of finding suitable reaction conditions, carbon reactivities, and catalysts that might enable control over competing reactions through the manipulation of the reaction rates. As a consequence, the reaction kinetics of methane pyrolysis is then emphasized, followed by the particularities of carbon deposition and the kinetics of carbon gasification. Given the urgency in finding suitable solutions for decarbonizing the energy sector and the limited information on the gasification of pyrolytic carbon, more research is needed and encouraged in this area. In order to provide CO2-free hydrogen production, the reaction heat should also be provided without CO2. Electrification is one of the solutions, provided that low-carbon sources are used to generate the electricity. Power-to-heat, i.e., where electricity is used for heating, represents the first step for the chemical industry. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001103312100001 |
Publication Date |
2023-10-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1996-1073 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:200456 |
Serial |
8842 |
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| Permanent link to this record |
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Author |
Gao, J.; Huang, W.; Gielis, J.; Shi, P. |
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Title |
Plant morphology and function, geometric morphometrics, and modelling : decoding the mathematical secrets of plants |
Type |
Editorial |
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Year |
2023 |
Publication |
Plants |
Abbreviated Journal |
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Volume |
12 |
Issue |
21 |
Pages |
3724-2 |
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Keywords |
Editorial; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001103336500001 |
Publication Date |
2023-10-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2223-7747 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201173 |
Serial |
9072 |
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| Permanent link to this record |
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Author |
Xie, Y.; Van Tendeloo, M.; Zhu, W.; Peng, L.; Vlaeminck, S.E. |
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Title |
Autotrophic nitrogen polishing of secondary effluents : Alkaline pH and residual nitrate control S0-driven denitratation for downstream anammox treatment |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of Water Process Engineering |
Abbreviated Journal |
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Volume |
56 |
Issue |
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Pages |
104402-104409 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Energy-lean nitrogen removal technologies, such as partial nitritation/anammox, often encounter effluent issues due to elevated nitrate and ammonium levels. This study proposed a novel autotrophic polishing strategy coupling sulfur-driven denitratation with anammox. To explore the denitratation potential in obtaining stable and sufficient nitrite accumulation, the effects of pH, residual nitrate level, and biomass-specific nitrate loading rate (BSNLR) were investigated in an S0-packed bed reactor at low hydraulic retention time (i.e., 0.2 h). Implementing pH and residual nitrate control strategies would be easier in practice than BSNLR control to polish secondary effluent. Alkaline pH values could realize successful nitrite accumulation without residual nitrate, and further intensify the accumulation under increased residual nitrate levels. The nitrate level was positively correlated with the nitrite accumulation efficiency. At pH 8.5 and nitrate concentration of 1.0 ± 0.8 mg N L−1, sulfur-driven denitratation could successfully maintain nitrite accumulation of 6.4 ± 1.0 mg NO2−-N L−1, ideally for the downstream anammox in case of residual ammonium levels of around 5 mg N L−1. Since Thiobacillus members play a key role in managing nitrite accumulation, their abundance should be guaranteed in the practical application. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001103341400001 |
Publication Date |
2023-10-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2214-7144 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
7 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 18.04.2024 |
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Notes |
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Approved |
Most recent IF: 7; 2023 IF: NA |
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Call Number |
UA @ admin @ c:irua:200036 |
Serial |
8835 |
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| Permanent link to this record |
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Author |
de la Croix, T.; Claes, N.; Eyley, S.; Thielemans, W.; Bals, S.; De Vos, D. |
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Title |
Heterogeneous Pt-catalyzed transfer dehydrogenation of long-chain alkanes with ethylene |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Catalysis Science & Technology |
Abbreviated Journal |
Catal. Sci. Technol. |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
The dehydrogenation of long-chain alkanes to olefins and alkylaromatics is a challenging endothermic reaction, typically requiring harsh conditions which can lead to low selectivity and coking. More favorable thermodynamics can be achieved by using a hydrogen acceptor, such as ethylene. In this work, the potential of heterogeneous platinum catalysts for the transfer dehydrogenation of long-chain alkanes is investigated, using ethylene as a convenient hydrogen acceptor. Pt/C and Pt–Sn/C catalysts were prepared<italic>via</italic>a simple polyol method and characterized with CO pulse chemisorption, HAADF-STEM, and EDX measurements. Conversion of ethylene was monitored<italic>via</italic>gas-phase FTIR, and distribution of liquid products was analyzed<italic>via</italic>GC-FID, GC-MS, and 1H-NMR. Compared to unpromoted Pt/C, Sn-promoted catalysts show lower initial reaction rates, but better resistance to catalyst deactivation, while increasing selectivity towards alkylaromatics. Both reaction products and ethylene were found to inhibit the reaction significantly. At 250 °C for 22 h, TON up to 28 and 86 mol per mol Pt were obtained for Pt/C and PtSn<sub>2</sub>/C, respectively, with olefin selectivities of 94% and 53%. The remaining products were mainly unbranched alkylaromatics. These findings show the potential of simple heterogeneous catalysts in alkane transfer dehydrogenation, for the preparation of valuable olefins and alkylaromatics, or as an essential step in various tandem reactions. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001104905100001 |
Publication Date |
2023-11-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2044-4753 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
5 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
T. de la Croix gratefully acknowledges the support of the Flanders Research Foundation (FWO) under project 11F6622N. D. De Vos is grateful to FWO for support of project G0D3721N, and to KU Leuven for the iBOF project 21/016/C3. S. Bals and N. Claes acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grant No. 815128- REALNANO). W. Thielemans and S. Eyley thank KU Leuven (grant C14/18/061) and FWO (G0A1219N) for financial support. |
Approved |
Most recent IF: 5; 2023 IF: 5.773 |
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Call Number |
EMAT @ emat @c:irua:201010 |
Serial |
8968 |
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Author |
Meng, S.; Li, S.; Sun, S.; Bogaerts, A.; Liu, Y.; Yi, Y. |
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Title |
NH3 decomposition for H2 production by thermal and plasma catalysis using bimetallic catalysts |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Chemical engineering science |
Abbreviated Journal |
Chemical Engineering Science |
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Volume |
283 |
Issue |
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Pages |
119449 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma catalysis has emerged as a promising approach for driving thermodynamically unfavorable chemical
reactions. Nevertheless, comprehending the mechanisms involved remains a challenge, leading to uncertainty
about whether the optimal catalyst in plasma catalysis aligns with that in thermal catalysis. In this research, we
explore this question by studying monometallic catalysts (Fe, Co, Ni and Mo) and bimetallic catalysts (Fe-Co, Mo-
Co, Fe-Ni and Mo-Ni) in both thermal catalytic and plasma catalytic NH3 decomposition. Our findings reveal that
the Fe-Co bimetallic catalyst exhibits the highest activity in thermal catalysis, the Fe-Ni bimetallic catalyst
outperforms others in plasma catalysis, indicating a discrepancy between the optimal catalysts for the two
catalytic modes in NH3 decomposition. Comprehensive catalyst characterization, kinetic analysis, temperature
program surface reaction experiments and plasma diagnosis are employed to discuss the key factors influencing
NH3 decomposition performance. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001105312500001 |
Publication Date |
2023-10-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-2509 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.7 |
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
Universiteit Antwerpen, 32249 ; National Natural Science Foundation of China, 21503032 ; PetroChina Innovation Foundation, 2018D-5007-0501 ; |
Approved |
Most recent IF: 4.7; 2024 IF: 2.895 |
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Call Number |
PLASMANT @ plasmant @c:irua:201009 |
Serial |
8967 |
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| Permanent link to this record |
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Author |
Zamani, M.; Yapicioglu, H.; Kara, A.; Sevik, C. |
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Title |
Statistical analysis of porcelain tiles' technical properties : full factorial design investigation on oxide ratios and temperature |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Physica scripta |
Abbreviated Journal |
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Volume |
98 |
Issue |
12 |
Pages |
125953-18 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
This study focuses on optimizing the composition and firing temperature of porcelain tiles using statistical analysis techniques. A full factorial design, including model adequacy checking, analysis of variance, Pareto charts, interaction plots, regression model, and response optimizer is employed. The key factors were the Seger ratios of SiO2/Al2O3, Na2O/K2O, MgO/CaO, and firing temperature. The response variables investigated were bulk density, water absorption, linear shrinkage, coefficient of thermal expansion (at 500 degrees C), and strength. The statistical analysis revealed highly significant results, which were further validated, confirming their reliability for practical use in the production of porcelain tiles. The study demonstrated the effectiveness of utilizing Seger formulas and properties of typical raw materials to accurately predict the final properties of ceramic tiles. By employing SiO2/Al2O3 = 5.2, Na2O/K2O = 1.50, MgO/CaO = 3.0, and firing temperature of 1180 degrees C, optimized properties, such as maximum strength, maximum bulk density, and minimum water absorption, was achieved with a composite desirability of 0.9821. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001105879800001 |
Publication Date |
2023-11-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-8949; 1402-4896 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
2.9 |
Times cited |
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Open Access |
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Notes |
|
Approved |
Most recent IF: 2.9; 2023 IF: 1.28 |
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Call Number |
UA @ admin @ c:irua:202033 |
Serial |
9097 |
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Author |
Jenkinson, K.; Spadaro, M.C.; Golovanova, V.; Andreu, T.; Morante, J.R.; Arbiol, J.; Bals, S. |
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Title |
Direct operando visualization of metal support interactions induced by hydrogen spillover during CO₂ hydrogenation |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Advanced materials |
Abbreviated Journal |
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Volume |
35 |
Issue |
51 |
Pages |
2306447-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The understanding of catalyst active sites is a fundamental challenge for the future rational design of optimized and bespoke catalysts. For instance, the partial reduction of Ce4+ surface sites to Ce3+ and the formation of oxygen vacancies are critical for CO2 hydrogenation, CO oxidation, and the water gas shift reaction. Furthermore, metal nanoparticles, the reducible support, and metal support interactions are prone to evolve under reaction conditions; therefore a catalyst structure must be characterized under operando conditions to identify active states and deduce structure-activity relationships. In the present work, temperature-induced morphological and chemical changes in Ni nanoparticle-decorated mesoporous CeO2 by means of in situ quantitative multimode electron tomography and in situ heating electron energy loss spectroscopy, respectively, are investigated. Moreover, operando electron energy loss spectroscopy is employed using a windowed gas cell and reveals the role of Ni-induced hydrogen spillover on active Ce3+ site formation and enhancement of the overall catalytic performance. |
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Place of Publication |
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Wos |
001106139400001 |
Publication Date |
2023-10-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0935-9648 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
29.4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 29.4; 2023 IF: 19.791 |
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Call Number |
UA @ admin @ c:irua:201143 |
Serial |
9022 |
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Author |
Akande, S.O.; Samanta, B.; Sevik, C.; Cakir, D. |
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Title |
First-principles investigation of mechanical and thermal properties of M Al B (M = Mo, W), Cr₂ AlB₂, and Ti₂ In B₂ |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical review applied |
Abbreviated Journal |
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Volume |
20 |
Issue |
4 |
Pages |
044064-17 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The atomically laminated layered ternary transition-metal borides (the MAB phases) have demonstrated outstanding properties and have been applied in various fields. Understanding their thermal and mechanical properties is critical to determining their applicability in various fields such as high-temperature applications. To achieve this, we conducted first-principles calculations based on density-functional theory and the quasiharmonic approximation to determine the thermal expansion coefficients, Gruneisen parameters, bulk moduli, hardness, thermal conductivity, electron-phonon coupling parameters, and the structural and vibrational properties of MoAlB, WAlB, Cr2AlB2, and Ti2InB2. We found varying degrees of anisotropy in the thermal expansion and mechanical properties in spite of similarities in their crystal structures. MoAlB has a mild degree of anisotropy in its thermal expansion coefficient (TEC), while Cr2AlB2 and WAlB display the highest level of TEC anisotropy. We assessed various empirical models to calculate hardness and thermal conductivity, and correlated the calculated values with the material properties such as elastic moduli, Gruneisen parameter, Debye temperature, and type of bonding. Owing to their higher Gruneisen parameters, implying a greater degree of anharmonicity in lattice vibrations and lower phonon group velocities, MoAlB and WAlB have significantly lower lattice thermal conductivity values than those of Cr2AlB2 and Ti2InB2. The hardness and lattice thermal conductivity of MAB phases can be predicted with high accuracy if one utilizes an appropriate model. |
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Place of Publication |
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Wos |
001106456600003 |
Publication Date |
2023-10-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4.6 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 4.6; 2023 IF: 4.808 |
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Call Number |
UA @ admin @ c:irua:202078 |
Serial |
9037 |
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| Permanent link to this record |
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Author |
Truta, F.M.; Cruz, A.G.; Dragan, A.-M.; Tertis, M.; Cowen, T.; Stefan, M.-G.; Topala, T.; Slosse, A.; Piletska, E.; Van Durme, F.; Kiss, B.; De Wael, K.; Piletsky, S.A.; Cristea, C. |
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Title |
Design of smart nanoparticles for the electrochemical detection of 3,4-methylenedioxymethamphetamine to allow in field screening by law enforcement officers |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Drug testing and analysis |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-14 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
A portable and highly sensitive sensor was designed for the specific detection of 3,4-methyl-enedioxy-methamphetamine (MDMA), in a range of field-testing situations. The sensor can detect MDMA in street samples, even when other controlled substances drugs, or adulterants are present. In this work, we report for the first time a sensor using electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA and then produced using solid phase synthesis. A composite comprising chitosan, reduced graphene oxide, and molecularly imprinted polymer nanoparticles synthesized for MDMA for the first time was immobilized on screen-printed carbon electrodes. The sensors displayed a satisfactory sensitivity (106.8 nA x mu M-1), limit of detection (1.6 nM; 0.31 ng/mL), and recoveries (92-99%). The accuracy of the results was confirmed through validation using Ultra-High Performance Liquid Chromatography coupled with tandem Mass Spectrometry (UPLC-MS/MS). This technology could be used in forensic analysis and make it possible to selectively detect MDMA in street samples. A highly sensitive and portable sensor has been developed to detect MDMA in street samples. It uses electroactive molecularly imprinted polymer nanoparticles computationally designed to recognize MDMA, which were immobilized on screen-printed carbon electrodes with chitosan and graphene. The sensor showed good sensitivity and satisfactory recoveries (92-99%), confirmed with UPLC-MS/MS validation. This technology has the potential to be used in forensic analysis.image |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
001107703400001 |
Publication Date |
2023-11-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1942-7603; 1942-7611 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 2.9; 2023 IF: 3.469 |
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Call Number |
UA @ admin @ c:irua:202058 |
Serial |
9020 |
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Author |
Zi, L.; Reynaert, S.; Nijs, I.; De Boeck, H.; Verbruggen, E.; Beemster, G.T.S.; Asard, H.; Abdelgawad, H. |
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Title |
Biochemical composition changes can be linked to the tolerance of four grassland species under more persistent precipitation regimes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physiologia plantarum |
Abbreviated Journal |
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Volume |
175 |
Issue |
6 |
Pages |
e14083-13 |
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Keywords |
A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
Climate models suggest that the persistence of summer precipitation regimes (PRs) is on the rise, characterized by both longer dry and longer wet durations. These PR changes may alter plant biochemical composition and thereby their economic and ecological characteristics. However, impacts of PR persistence have primarily been studied at the community level, largely ignoring the biochemistry of individual species. Here, we analyzed biochemical components of four grassland species with varying sensitivity to PR persistence (Holcus lanatus, Phleum pratense, Lychnis flos-cuculi, Plantago lanceolata) along a range of increasingly persistent PRs (longer consecutive dry and wet periods) in a mesocosm experiment. The more persistent PRs decreased nonstructural sugars, whereas they increased lignin in all species, possibly reducing plant quality. The most sensitive species Lychnis seemed less capable of altering its biochemical composition in response to altered PRs, which may partly explain its higher sensitivity. The more tolerant species may have a more robust and dynamic biochemical network, which buffers the effects of changes in individual biochemical components on biomass. We conclude that the biochemical composition changes are important determinants for plant performance under increasingly persistent precipitation regimes. |
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Place of Publication |
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Wos |
001108556200001 |
Publication Date |
2023-11-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0031-9317 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 6.4; 2023 IF: 3.33 |
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Call Number |
UA @ admin @ c:irua:202003 |
Serial |
9190 |
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Author |
Watson, G.; Kummamuru, N.B.; Verbruggen, S.W.; Perreault, P.; Houlleberghs, M.; Martens, J.; Breynaert, E.; Van Der Voort, P. |
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Title |
Engineering of hollow periodic mesoporous organosilica nanorods for augmented hydrogen clathrate formation |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
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Volume |
11 |
Issue |
47 |
Pages |
26265-26276 |
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Keywords |
A1 Journal article; Engineering sciences. Technology |
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Abstract |
Hydrogen (H2) storage, in the form of clathrate hydrates, has emerged as an attractive alternative to classical storage methods like compression or liquefaction. Nevertheless, the sluggish enclathration kinetics along with low gas storage capacities in bulk systems is currently impeding the progress of this technology. To this end, unstirred systems coupled with porous materials have been shown to tackle the aforementioned drawbacks. In line with this approach, the present study explores the use of hydrophobic periodic organosilica nanoparticles, later denoted as hollow ring-PMO (HRPMO), for H2 storage as clathrate hydrates under mild operating conditions (5.56 mol% THF, 7 MPa, and 265–273 K). The surface of the HRPMO nanoparticles was carefully decorated/functionalized with THF-like moieties, which are well-known promoter agents in clathrate formation when applied in classical, homogeneous systems. The study showed that, while the non-functionalized HRPMO can facilitate the formation of binary H2-THF clathrates, the incorporation of surface-bound promotor structures enhances this process. More intriguingly, tuning the concentration of these surface-bound promotor agents on the HRPMO led to a notable effect on solid-state H2 storage capacities. An increase of 3% in H2 storage capacity, equivalent to 0.26 wt%, along with a substantial increase of up to 28% in clathrate growth kinetics, was observed when an optimal loading of 0.14 mmol g−1 of promoter agent was integrated into the HRPMO framework. Overall, the findings from this study highlight that such tuning effects in the solid-state have the potential to significantly boost hydrate formation/growth kinetics and H2 storage capacities, thereby opening new avenues for the ongoing development of H2 clathrates in industrial applications. |
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Wos |
001108752600001 |
Publication Date |
2023-11-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7488; 2050-7496 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
11.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 11.9; 2023 IF: 8.867 |
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Call Number |
UA @ admin @ c:irua:201007 |
Serial |
9031 |
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Author |
Vingerhoets, R.; Brienza, C.; Sigurnjak, I.; Buysse, J.; Vlaeminck, S.E.; Spiller, M.; Meers, E. |
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Title |
Ammonia stripping and scrubbing followed by nitrification and denitrification saves costs for manure treatment based on a calibrated model approach |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
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Volume |
477 |
Issue |
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Pages |
146984-14 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Resource-efficient nitrogen management is of high environmental and economic interest, and manure represents the major nutrient flow in livestock-intensive regions. Ammonia stripping/scrubbing (SS) is an appealing nitrogen recovery route from manure, yet its real-life implementation has been limited thus far. In nutrient surplus regions like Flanders, treatment of the liquid fraction (LF) of (co–)digested manure typically consists of nitrification/denitrification (NDN) removing most N as nitrogen gas. Integrating SS before NDN in existing plants would expand treatment capacity and recover N while maintaining low N effluent values, yet cost estimations of this novel approach after process optimisation are not yet available. A programming model was developed and calibrated to minimise the treatment costs of this approach and find the balance between N recovery versus N removal. Four crucial operational parameters (CO2 stripping time, NH3 stripping time, temperature and NaOH addition) were optimised for 18 scenarios which were different in terms of technical set-up, influent characteristics and scrubber acid. The model shows that SS before NDN can decrease the costs by 1 to 56% under optimal conditions compared to treatment with NDN only, with 1 to 8% reduction for the LF of manure (22–29% recovered of N treated), and 11 to 56% reduction for the LF of co-digested manure (42–67% recovered of N treated), primarily dependent on resource pricing. This study shows the power of modelling for minimum-cost design and operation of manure treatment yielding savings while producing useful N recovery products with SS followed by NDN. |
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Wos |
001108935900001 |
Publication Date |
2023-10-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947; 1873-3212 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
15.1 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 15.1; 2023 IF: 6.216 |
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Call Number |
UA @ admin @ c:irua:200649 |
Serial |
9003 |
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Author |
Parrilla, M.; Detamornrat, U.; Domínguez-Robles, J.; Tunca, S.; Donnelly, R.F.; De Wael, K. |
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Title |
Wearable microneedle-based array patches for continuous electrochemical monitoring and drug delivery : toward a closed-loop system for methotrexate treatment |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
ACS sensors |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
acssensors.3c01381-10 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Wearable devices based on microneedle (MN) technology have recently emerged as tools for in situ transdermal sensing or delivery in interstitial fluid (ISF). Particularly, MN-based electrochemical sensors allow the continuous monitoring of analytes in a minimally invasive manner through ISF. Exogenous small molecules found in ISF such as therapeutic drugs are ideal candidates for MN sensors due to their correlation with blood levels and their relevance for the optimal management of personalized therapies. Herein, a hollow MN array patch is modified with conductive pastes and functionalized with cross-linked chitosan to develop an MN-based voltammetric sensor for continuous monitoring of methotrexate (MTX). Interestingly, the chitosan coating avoids biofouling while enabling the adsorption of MTX at the electrode’s surface for sensitive analysis. The MN sensor exhibits excellent analytical performance in vitro with protein-enriched artificial ISF and ex vivo under a Franz diffusion cell configuration. The MN sensor shows a linear range from 25 to 400 μM, which fits within the therapeutic range of high-dose MTX treatment for cancer patients and an excellent continuous operation for more than two days. Moreover, an iontophoretic hollow MN array patch is developed with the integration of both the anode and cathode in the single MN array patch. The ex vivo characterization demonstrates the transdermal on-demand drug delivery of MTX. Overall, the combination of both MN patches represents impactful progress in closed-loop systems for therapeutic drug management in disorders such as cancer, rheumatoid arthritis, or psoriasis. |
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Wos |
001109702900001 |
Publication Date |
2023-10-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2379-3694 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.9 |
Times cited |
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Open Access |
Not_Open_Access: Available from 19.04.2024 |
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Notes |
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Approved |
Most recent IF: 8.9; 2023 IF: NA |
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Call Number |
UA @ admin @ c:irua:200074 |
Serial |
8956 |
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Author |
Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Chlorinated phosphorene for energy application |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
231 |
Issue |
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Pages |
112625-112628 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries. |
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Place of Publication |
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Wos |
001110003400001 |
Publication Date |
2023-11-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:202125 |
Serial |
9008 |
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Author |
Biondo, O.; van Deursen, C.F.A.M.; Hughes, A.; van de Steeg, A.; Bongers, W.; van de Sanden, M.C.M.; van Rooij, G.; Bogaerts, A. |
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Title |
Avoiding solid carbon deposition in plasma-based dry reforming of methane |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Green Chemistry |
Abbreviated Journal |
Green Chem. |
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Volume |
25 |
Issue |
24 |
Pages |
10485-10497 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
Solid carbon deposition is a persistent challenge in dry reforming of methane (DRM), affecting both classical and plasma-based processes. In this work, we use a microwave plasma in reverse vortex flow configuration to overcome this issue in CO<sub>2</sub>/CH<sub>4</sub>plasmas. Indeed, this configuration efficiently mitigates carbon deposition, enabling operation even with pure CH<sub>4</sub>feed gas, in contrast to other configurations. At the same time, high reactor performance is achieved, with CO<sub>2</sub>and CH<sub>4</sub>conversions reaching 33% and 44% respectively, at an energy cost of 14 kJ L<sup>−1</sup>for a CO<sub>2</sub> : CH<sub>4</sub>ratio of 1 : 1. Laser scattering and optical emission imaging demonstrate that the shorter residence time in reverse vortex flow lowers the gas temperature in the discharge, facilitating a shift from full to partial CH<sub>4</sub>pyrolysis. This underscores the pivotal role of flow configuration in directing process selectivity, a crucial factor in complex chemistries like CO<sub>2</sub>/CH<sub>4</sub>mixtures and very important for industrial applications. |
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Place of Publication |
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Wos |
001110100100001 |
Publication Date |
2023-11-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9262 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
9.8 |
Times cited |
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Open Access |
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Notes |
Universiteit Antwerpen; Nederlandse Organisatie voor Wetenschappelijk Onderzoek; HORIZON EUROPE Marie Sklodowska-Curie Actions, 813393 ; |
Approved |
Most recent IF: 9.8; 2023 IF: 9.125 |
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Call Number |
PLASMANT @ plasmant @c:irua:202138 |
Serial |
8978 |
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| Permanent link to this record |
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Author |
Bogaerts, A. |
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Title |
Special Issue on “Dielectric Barrier Discharges and their Applications” in Commemoration of the 20th Anniversary of Dr. Ulrich Kogelschatz’s Work |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Plasma Chemistry and Plasma Processing |
Abbreviated Journal |
Plasma Chem Plasma Process |
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Volume |
43 |
Issue |
6 |
Pages |
1281-1285 |
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Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
n/a |
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Wos |
001110371000001 |
Publication Date |
2023-11-30 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0272-4324 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.6 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
n/a |
Approved |
Most recent IF: 3.6; 2023 IF: 2.355 |
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Call Number |
PLASMANT @ plasmant @c:irua:201387 |
Serial |
8969 |
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| Permanent link to this record |
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Author |
Manzaneda-Gonzalez, V.; Jenkinson, K.; Pena-Rodriguez, O.; Borrell-Grueiro, O.; Trivino-Sanchez, S.; Banares, L.; Junquera, E.; Espinosa, A.; Gonzalez-Rubio, G.; Bals, S.; Guerrero-Martinez, A. |
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Title |
From multi- to single-hollow trimetallic nanocrystals by ultrafast heating |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Chemistry of materials |
Abbreviated Journal |
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| |
Volume |
35 |
Issue |
22 |
Pages |
9603-9612 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Metal nanocrystals (NCs) display unique physicochemical features that are highly dependent on nanoparticle dimensions, anisotropy, structure, and composition. The development of synthesis methodologies that allow us to tune such parameters finely emerges as crucial for the application of metal NCs in catalysis, optical materials, or biomedicine. Here, we describe a synthetic methodology to fabricate hollow multimetallic heterostructures using a combination of seed-mediated growth routes and femtosecond-pulsed laser irradiation. The envisaged methodology relies on the coreduction of Ag and Pd ions on gold nanorods (Au NRs) to form Au@PdAg core-shell nanostructures containing small cavities at the Au-PdAg interface. The excitation of Au@PdAg NRs with low fluence femtosecond pulses was employed to induce the coalescence and growth of large cavities, forming multihollow anisotropic Au@PdAg nanostructures. Moreover, single-hollow alloy AuPdAg could be achieved in high yield by increasing the irradiation energy. Advanced electron microscopy techniques, energy-dispersive X-ray spectroscopy (EDX) tomography, X-ray absorption near-edge structure (XANES) spectroscopy, and finite differences in the time domain (FDTD) simulations allowed us to characterize the morphology, structure, and elemental distribution of the irradiated NCs in detail. The ability of the reported synthesis route to fabricate multimetallic NCs with unprecedented hollow nanostructures offers attractive prospects for the fabrication of tailored high-entropy alloy nanoparticles. |
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Wos |
001110623500001 |
Publication Date |
2023-11-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756; 1520-5002 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.6 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 8.6; 2023 IF: 9.466 |
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Call Number |
UA @ admin @ c:irua:202144 |
Serial |
9040 |
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| Permanent link to this record |
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Author |
Delfino, C.L.; Hao, Y.; Martin, C.; Minoia, A.; Gopi, E.; Mali, K.S.; Van der Auweraer, M.; Geerts, Y.H.; Van Aert, S.; Lazzaroni, R.; De Feyter, S. |
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Title |
Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling |
Type |
A1 Journal Article |
| |
Year |
2023 |
Publication |
The Journal of Physical Chemistry C |
Abbreviated Journal |
J. Phys. Chem. C |
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| |
Volume |
127 |
Issue |
47 |
Pages |
23023-23033 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
001111637100001 |
Publication Date |
2023-11-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
Financial support from the Research Foundation-Flanders (FWO G081518N, G0A3220N) and KU Leuven–Internal Funds (C14/19/079) is acknowledged. This work was in part supported by FWO and F. R. S.-FNRS under the Excellence of Science EOS program (project 30489208 and 40007495). C.M. acknowledges the financial support: Grants PID2021-128761OA-C22 and CNS2022-136052 funded by MCIN/AEI/10.13039/501100011033 by the “European Union” and SBPLY/21/180501/000127 funded by JCCM and by the EU through “Fondo Europeo de Desarollo Regional” (FEDER). Research in Mons is also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif – CÉCI, under Grant 2.5020.11, and by the Walloon Region (ZENOBE Tier-1 supercomputer, under grant 1117545). |
Approved |
Most recent IF: 3.7; 2023 IF: 4.536 |
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Call Number |
EMAT @ emat @c:irua:201671 |
Serial |
8974 |
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| Permanent link to this record |
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Author |
Gao, C.; Hofer, C.; Pennycook, T.J. |
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Title |
On central focusing for contrast optimization in direct electron ptychography of thick samples |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
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Volume |
256 |
Issue |
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Pages |
113879-7 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Ptychography provides high dose efficiency images that can reveal light elements next to heavy atoms. However, despite ptychography having an otherwise single signed contrast transfer function, contrast reversals can occur when the projected potential becomes strong for both direct and iterative inversion ptychography methods. It has recently been shown that these reversals can often be counteracted in direct ptychography methods by adapting the focus. Here we provide an explanation of why the best contrast is often found with the probe focused to the middle of the sample. The phase contribution due to defocus at each sample slice above and below the central plane in this configuration effectively cancels out, which can prevent contrast reversals when dynamical scattering effects are not overly strong. In addition we show that the convergence angle can be an important consideration for removal of contrast reversals in relatively thin samples. |
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Wos |
001112166400001 |
Publication Date |
2023-11-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.2 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.2; 2024 IF: 2.843 |
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Call Number |
UA @ admin @ c:irua:202029 |
Serial |
9066 |
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| Permanent link to this record |
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Author |
Li, L.; Lin, Q.; Nijs, I.; De Boeck, H.; Beemster, G.T.S.; Asard, H.; Verbruggen, E. |
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Title |
More persistent weather causes a pronounced soil microbial legacy but does not impact subsequent plant communities |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
The science of the total environment |
Abbreviated Journal |
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Volume |
903 |
Issue |
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Pages |
166570-166578 |
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Keywords |
A1 Journal article; Integrated Molecular Plant Physiology Research (IMPRES); Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
A soil history of exposure to extreme weather may impact future plant growth and microbial community assembly. Currently, little is known about whether and how previous precipitation regime (PR)-induced changes in soil microbial communities influence plant and soil microbial community responses to a subsequent PR. We exposed grassland mesocosms to either an ambient PR (1 day wet-dry alternation) or a persistent PR (30 days consecutive wet-dry alternation) for one year. This conditioned soil was then inoculated as a 10 % fraction into 90 % sterilized “native” soil, after which new plant communities were established and subjected to either the ambient or persistent PR for 60 days. We assessed whether past persistent weather-induced changes in soil microbial community composition affect soil microbial and plant community responses to subsequent weather persistence. The historical regimes caused enduring effects on fungal communities and only temporary effects on bacterial communities, but did not trigger soil microbial legacy effects on plant productivity when exposed to either current PR. This study provides experimental evidence for soil legacy of climate persistence on grassland ecosystems in response to subsequent climate persistence, helping to understand and predict the influences of future climate change on soil biota. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
001116596100001 |
Publication Date |
2023-08-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0048-9697; 1879-1026 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.8 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 9.8; 2023 IF: 4.9 |
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Call Number |
UA @ admin @ c:irua:200463 |
Serial |
9213 |
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| Permanent link to this record |
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Author |
Yu, CP.; Vega Ibañez, F.; Béché, A.; Verbeeck, J. |
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Title |
Quantum wavefront shaping with a 48-element programmable phase plate for electrons |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
SciPost Physics |
Abbreviated Journal |
SciPost Phys. |
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Volume |
15 |
Issue |
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Pages |
223 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) |
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Abstract |
We present a 48-element programmable phase plate for coherent electron waves produced by a combination of photolithography and focused ion beam. This brings the highly successful concept of wavefront shaping from light optics into the realm of electron optics and provides an important new degree of freedom to prepare electron quantum states. The phase plate chip is mounted on an aperture rod placed in the C2 plane of a transmission electron microscope operating in the 100-300 kV range. The phase plate's behavior is characterized by a Gerchberg-Saxton algorithm, showing a phase sensitivity of 0.075 rad/mV at 300 kV, with a phase resolution of approximately 3x10e−3π. In addition, we provide a brief overview of possible use cases and support it with both simulated and experimental results. |
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Publisher |
SciPost |
Place of Publication |
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Language |
English |
Wos |
001116838500002 |
Publication Date |
2023-12-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2542-4653 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5.5 |
Times cited |
1 |
Open Access |
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Notes |
This project is the result of a long-term effort involving many differ- ent sources of funding: JV acknowledges funding from an ERC proof of concept project DLV- 789598 ADAPTEM, as well as a University IOF proof of concept project towards launching the AdaptEM spin-off and the eBEAM project, supported by the European Union’s Horizon 2020 research and innovation program FETPROACT-EIC-07-2020: emerging paradigms and com- munities. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3 and via The IMPRESS project from the HORIZON EUROPE framework program for research and innovation under grant agreement n. 101094299. FV, JV, and AB acknowledge funding from G042820N ‘Explor- ing adaptive optics in transmission electron microscopy.’ CPY acknowledges funding from a TOP-BOF project from the University of Antwerp. |
Approved |
Most recent IF: 5.5; 2023 IF: NA |
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Call Number |
EMAT @ emat @c:irua:202037 |
Serial |
8984 |
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Author |
Teunissen, J.L.; Braeckevelt, T.; Skvortsova, I.; Guo, J.; Pradhan, B.; Debroye, E.; Roeffaers, M.B.J.; Hofkens, J.; Van Aert, S.; Bals, S.; Rogge, S.M.J.; Van Speybroeck, V. |
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Title |
Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
The Journal of Physical Chemistry C |
Abbreviated Journal |
J. Phys. Chem. C |
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Volume |
127 |
Issue |
48 |
Pages |
23400-23411 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability. |
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Place of Publication |
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Wos |
001116862000001 |
Publication Date |
2023-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
This work was supported by iBOF-21-085 PERsist (Special Research Fund of Ghent University, KU Leuven Research Fund, and the Research Fund of the University of Antwerp). S.M.J.R., T.B., and B.P. acknowledge financial support from the Research Foundation-Flanders (FWO) through two postdoctoral fellow- ships [grant nos. 12T3522N (S.M.J.R.) and 1275521N (B.P.)] and an SB-FWO fellowship [grant no. 1SC1319 (T.B.)]. E.D., M.B.J.R., and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grant nos. G.0B39.15, G.0B49.15, G098319N, S002019N, S004322N, and ZW15_09- GOH6316). J.H. acknowledges support from the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as an MPI fellow. S.V.A. and S.B. acknowledge financial support from the Research Foundation-Flanders (FWO, grant no. G0A7723N). S.M.J.R. and V.V.S. acknowledge funding from the Research Board of Ghent University (BOF). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation- Flanders (FWO) and the Flemish Government�department EWI.; KU Leuven, iBOF-21-085 PERsist ; Universiteit Antwerpen, iBOF-21-085 PERsist ; Universiteit Gent, iBOF-21-085 PERsist ; Vlaamse regering, CASAS2, Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, G.0B39.15 G098319N G.0B49.15 1SC1319 12T3522N ZW15 09-GOH6316 G0A7723N 1275521N S004322N S002019N ; |
Approved |
Most recent IF: 3.7; 2023 IF: 4.536 |
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Call Number |
EMAT @ emat @c:irua:202124 |
Serial |
8985 |
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Author |
Kovács, A.; Janssens, N.; Mielants, M.; Cornet, I.; Neyts, E.C.; Billen, P. |
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Title |
Biocatalyzed vinyl laurate transesterification in natural deep eutectic solvents |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Waste and biomass valorization |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
1-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Biochemical Wastewater Valorization & Engineering (BioWaVE); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
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Abstract |
Purpose Natural deep eutectic solvents (NADES) represent a green alternative to conventional organic solvents as reaction medium, offering more benign properties. To efficiently design NADES for biocatalysis, a better understanding of their effect on these reactions is needed. We hypothesize that this effect can be described by separately considering (1) the solvent interactions with the substrates, (2) the solvent viscosities and (3) the enzyme stability in NADES. Methods We investigated the effect of substrate solvation and viscosity on the reaction rate; and the stability of the enzyme in NADES. To this end, we monitored the conversion over time of the transesterification of vinyl laurate with 1- butanol by the lipase enzyme Candida antarctica B in NADES of different compounds and molar ratios. Results The initial reaction rate is higher in most NADES ( varying between 1.14 and 15.07 mu mol min(-1) mg(-1)) than in the reference n-hexane (4.0 mu mol min(-1) mg(-1))), but no clear relationship between viscosity and initial reaction rate was found. The increased reaction rate is most likely related to the solvation of the substrate due to a change in the activation energy of the reaction or a change in the conformation of the substrate. The enzyme retained part of its activity after the first 2 h of reaction (on average 20 % of the substrate reacted in the 2-24 h period). Enzyme incubation in ethylene glycol-based NADES resulted in a reduced reaction rate ( 15.07 vs. 3.34 mu mol min(-1) mg(-1)), but this may also be due to slow dissolution of the substrate. Conclusions The effect of viscosity seems to be marginal next to the effect of solvation and possible enzyme-NADES interaction. The enzyme retains some of its activity during the 24-hour measurements, but the enzyme incubation experiments did not yield accurate, comparable values. [GRAPHICS] . |
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Place of Publication |
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Wos |
001117290800003 |
Publication Date |
2023-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1877-2641; 1877-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.2 |
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: 1.337 |
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Call Number |
UA @ admin @ c:irua:202709 |
Serial |
9005 |
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| Permanent link to this record |
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Author |
Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
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Year |
2023 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
45-48 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance. |
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Place of Publication |
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Wos |
001117703800012 |
Publication Date |
2023-11-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-4-86348-803-8 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202839 |
Serial |
9079 |
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Author |
Le Compte, M.; Cardenas De La Hoz, E.; Peeters, S.; Rodrigues Fortes, F.; Hermans, C.; Domen, A.; Smits, E.; Lardon, F.; Vandamme, T.; Lin, A.; Vanlanduit, S.; Roeyen, G.; van Laere, S.; Prenen, H.; Peeters, M.; Deben, C. |
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Title |
Single-organoid analysis reveals clinically relevant treatment-resistant and invasive subclones in pancreatic cancer |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
npj Precision Oncology |
Abbreviated Journal |
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Volume |
7 |
Issue |
1 |
Pages |
128-14 |
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Keywords |
A1 Journal article; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC) |
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Abstract |
Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal diseases, characterized by a treatment-resistant and invasive nature. In line with these inherent aggressive characteristics, only a subset of patients shows a clinical response to the standard of care therapies, thereby highlighting the need for a more personalized treatment approach. In this study, we comprehensively unraveled the intra-patient response heterogeneity and intrinsic aggressive nature of PDAC on bulk and single-organoid resolution. We leveraged a fully characterized PDAC organoid panel ( N = 8) and matched our artificial intelligence-driven, live-cell organoid image analysis with retrospective clinical patient response. In line with the clinical outcomes, we identified patient-specific sensitivities to the standard of care therapies (gemcitabine-paclitaxel and FOLFIRINOX) using a growth rate-based and normalized drug response metric. Moreover, the single-organoid analysis was able to detect resistant as well as invasive PDAC organoid clones, which was orchestrates on a patient, therapy, drug, concentration and time-specific level. Furthermore, our in vitro organoid analysis indicated a correlation with the matched patient progression-free survival (PFS) compared to the current, conventional drug response readouts. This work not only provides valuable insights on the response complexity in PDAC, but it also highlights the potential applications (extendable to other tumor types) and clinical translatability of our approach in drug discovery and the emerging era of personalized medicine. |
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Wos |
001118015800001 |
Publication Date |
2023-12-08 |
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ISSN |
2397-768x |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:201455 |
Serial |
9091 |
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Author |
Deconinck, E.; Polet, M.A.; Canfyn, M.; Duchateau, C.; De Braekeleer, K.; Van Echelpoel, R.; De Wael, K.; Gremeaux, L.; Degreef, M.; Balcaen, M. |
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Title |
Evaluation of an electrochemical sensor and comparison with spectroscopic approaches as used today in practice for harm reduction in a festival setting: a case study : analysis of 3,4-methylenedioxymethamphetamine samples |
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A1 Journal article |
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Year |
2023 |
Publication |
Drug testing and analysis |
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Pages |
1-13 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
More and more countries and organisations emphasise the value of harm reduction measures in the context of illicit drug use and abuse. One of these measures is drug checking, a preventive action that can represent a quick win by tailored consultation on the risks of substance use upon analytical screening of a submitted sample. Unlike drop-in centres that operate within a fixed setting, enabling drug checking in a harm reduction context at events requires portable, easy to use analytical approaches, operated by personnel with limited knowledge of analytical chemistry. In this case study, four different approaches were compared for the characterisation of 3,4-methylenedioxymethamphetamine samples and this in the way the approaches would be applied today in an event context. The four approaches are mid-infrared (MIR), near-infrared, and Raman spectroscopy, which are today used in drug checking context in Belgium, as well as an electrochemical sensor approach initially developed in the context of law enforcement at ports. The MIR and the electrochemical approach came out best, with the latter allowing for a direct straightforward analysis of the percentage 3,4-methylenedioxymethamphetamine (as base equivalent) in the samples. However, MIR has the advantage that, in a broader drug checking context, it allows to screen for several molecules and so is able to identify unexpected active components or at least the group to which such components belong. The latter is also an important advantage in the context of the growing emergence of new psychotropic substances. MIR, NIR, Raman spectroscopy, and an electrochemical sensor (Narcoreader (R)) for MDMA analysis were compared in a realistic harm reduction context. NIR and Raman failed in simple library approaches. MIR and Narcoreader (R) were preferred. MIR came out as first choice. MIR and Narcoreader (R) have complementary (dis)advantages and could be used in a two-step approach: MIR for screening and Narcoreader (R) for dosage/risk evaluation of MDMA samples.image |
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Wos |
001122493700001 |
Publication Date |
2023-12-12 |
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ISSN |
1942-7603; 1942-7611 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.9 |
Times cited |
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Open Access |
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Approved |
Most recent IF: 2.9; 2023 IF: 3.469 |
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Call Number |
UA @ admin @ c:irua:202047 |
Serial |
9032 |
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