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Author |
Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R. |
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Title |
Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of petrology |
Abbreviated Journal |
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Volume |
64 |
Issue |
3 |
Pages |
egad008-18 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Oriented needle-, lath- and plate-shaped magnetite micro-inclusions in rock forming plagioclase from mafic intrusive rocks, were investigated using correlated optical microscopy and scanning transmission electron microscopy. The magnetite micro-inclusions were analysed on cuts parallel and perpendicular to the inclusion-elongation directions. The crystal structures of the two phases are in direct contact along the interfaces. The shape, shape orientation and crystallographic orientation relationships between the magnetite micro-inclusions and the plagioclase host appear to be controlled by the tendency of the system to optimise lattice match along the interfaces. The elongation direction of the inclusions ensures good match between prominent oxygen layers in the magnetite and plagioclase crystal structures across the interfaces bounding the inclusions parallel to their elongation direction. In cross-section, additional modes of lattice match, such as the commensurate impingement of magnetite and plagioclase lattice planes along the interfaces, the parallel alignment of the interfaces to low-index lattice planes of magnetite or plagioclase, or the parallel alignment to low index lattice planes of both phases are observed, which appear to control the selection of interface facets, as well as the shape and crystallographic orientation relationships between magnetite micro-inclusions and plagioclase host. The systematics of the inclusion cross-sectional shapes and crystallographic orientation relationships indicate recrystallisation of magnetite with potential implications for natural remanent magnetisation of magnetite-bearing plagioclase grains. |
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Wos |
001010636400007 |
Publication Date |
2023-01-28 |
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Edition |
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ISSN  |
0022-3530 |
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 |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 3.28 |
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Call Number |
UA @ admin @ c:irua:195160 |
Serial |
7292 |
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Author |
Skorikov, A.; Batenburg, K.J.; Bals, S. |
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Title |
Analysis of 3D elemental distribution in nanomaterials : towards higher throughput and dose efficiency |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of microscopy |
Abbreviated Journal |
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Volume |
289 |
Issue |
3 |
Pages |
157-163 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Many advanced nanomaterials rely on carefully designed morphology and elemental distribution to achieve their functionalities. Among the few experimental techniques that can directly visualise the 3D elemental distribution on the nanoscale are approaches based on electron tomography in combination with energy-dispersive X-ray spectroscopy (EDXS) and electron energy loss spectroscopy (EELS). Unfortunately, these highly informative methods are severely limited by the fundamentally low signal-to-noise ratio, which makes long experimental times and high electron irradiation doses necessary to obtain reliable 3D reconstructions. Addressing these limitations has been the major research question for the development of these techniques in recent years. This short review outlines the latest progress on the methods to reduce experimental time and electron irradiation dose requirements for 3D elemental distribution analysis and gives an outlook on the development of this field in the near future. |
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Wos |
000910532600001 |
Publication Date |
2022-12-26 |
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Series Editor |
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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 |
0022-2720 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2 |
Times cited |
2 |
Open Access |
OpenAccess |
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Notes |
ERC Consolidator Grant, Grant/Award Number: 815128 |
Approved |
Most recent IF: 2; 2023 IF: 1.692 |
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Call Number |
UA @ admin @ c:irua:193428 |
Serial |
7281 |
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Author |
Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M. |
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Title |
Influence of neutron irradiation on X-ray diffraction, Raman spectrum and photoluminescence from pyrolytic and hot-pressed hexagonal boron nitride |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of luminescence |
Abbreviated Journal |
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Volume |
263 |
Issue |
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Pages |
120118-8 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Hexagonal boron nitride (hBN) is considered as an ideal semiconductor material for solid-state neutron detector, owing to its large neutron scattering section because of the low atomic number of B and excellent physical properties. Here we study the influence of neutron irradiation on crystal structure and on intermediate energy state (IMES) levels induced by the presence of impurities and defects in hBN. Large-size and thick pyrolytic and hot-pressed hBN (PBN and HBN) samples, which can be directly applied for neutron detector devices, are prepared and bombarded by neutrons with different irradiation fluences. The SEM and TEM are used to observe the sample difference of PBN and HBN. X-ray diffraction and Raman spectroscopy are applied to examine the influence of neutron irradiation on lattice structures along different crystal directions of PBN and HBN samples. Photoluminescence (PL) is employed to study the effect of neutron irradiation on IMESs in these samples. We find that the neutron irradiation does not alter the in-plane lattice structures of both PBN and HBN samples, but it can release the inter-layer tensions induced by sample growth of the PBN samples. Interestingly and surprisingly, the neutron irradiation does not affect the IMES levels responsible for PL generation, where PL is attributed mainly from phonon-assisted radiative electron-hole coupling for both PBN and HBN samples. Furthermore, the results indicate that the neutron irradiation can weaken the effective carrier-phonon coupling and exciton transitions in PBN and HBN samples. Overall, both PBN and HBN samples show some degree of the resistance to neutron irradiation in terms of these basic physical properties. The interesting and important findings from this work can help us to gain an in-depth understanding of the influence of neutron irradiation on basic physical properties of hBN materials. These effects can be taken into account when designing and applying the hBN materials for neutron detectors. |
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Wos |
001077086300001 |
Publication Date |
2023-08-09 |
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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 |
0022-2313 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.6 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.6; 2023 IF: 2.686 |
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Call Number |
UA @ admin @ c:irua:200393 |
Serial |
9047 |
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Author |
Duran, T.A.; Yayak, Y.O.; Aydin, H.; Peeters, F.M.; Yagmurcukardes, M. |
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Title |
A perspective on the state-of-the-art functionalized 2D materials |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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Volume |
134 |
Issue |
12 |
Pages |
120901-120929 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional (2D) ultra-thin materials are more crucial than their bulk counterparts for the covalent functionalization of their surface owing to atomic thinness, large surface-to-volume ratio, and high reactivity of surface atoms having unoccupied orbitals. Since the surface of a 2D material is composed of atoms having unoccupied orbitals, covalent functionalization enables one to improve or precisely modify the properties of the ultra-thin materials. Chemical functionalization of 2D materials not only modifies their intrinsic properties but also makes them adapted for nanotechnology applications. Such engineered materials have been used in many different applications with their improved properties. In the present Perspective, we begin with a brief history of functionalization followed by the introduction of functionalized 2D materials. Our Perspective is composed of the following sections: the applications areas of 2D graphene and graphene oxide crystals, transition metal dichalcogenides, and in-plane anisotropic black phosphorus, all of which have been widely used in different nanotechnology applications. Finally, our Perspectives on the future directions of applications of functionalized 2D materials are given. The present Perspective sheds light on the current progress in nanotechnological applications of engineered 2D materials through surface functionalization. |
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Wos |
001087770500008 |
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Abbreviated Series Title |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:201281 |
Serial |
9000 |
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Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Peeters, F.M. |
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Title |
Optical spectrum of n-type and p-type monolayer MoS₂ in the presence of proximity-induced interactions |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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Volume |
134 |
Issue |
22 |
Pages |
224301-224307 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling and effective Zeeman fields (EZFs) on the optical spectrum of n-type and p-type monolayer (ML)-MoS2. The optical conductivity is evaluated using the standard Kubo formula under random-phase approximation by including the effective electron-electron interaction. It has been found that there exist two absorption peaks in n-type ML-MoS2 and two knife shaped absorptions in p-type ML-MoS2, which are contributed by the inter-subband spin-flip electronic transitions within conduction and valence bands at valleys K and K ' with a lifted valley degeneracy. The optical absorptions in n-type and p-type ML-MoS 2 occur in THz and infrared radiation regimes and the position, height, and shape of them can be effectively tuned by Rashba parameter, EZF parameters, and carrier density. The interesting theoretical predictions in this study would be helpful for the experimental observation of the optical absorption in infrared to THz bandwidths contributed by inter-subband spin-flip electronic transitions in a lifted valley degeneracy monolayer transition metal dichalcogenides system. The obtained results indicate that ML-MoS2 with the platform of proximity interactions make it a promising infrared and THz material for optics and optoelectronics. |
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Wos |
001135684400003 |
Publication Date |
2023-12-11 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:202777 |
Serial |
9069 |
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Author |
Sargin, G.O.; Sarikurt, S.; Sevincli, H.; Sevik, C. |
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Title |
The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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Volume |
133 |
Issue |
15 |
Pages |
150902-150937 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research. |
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Wos |
001079329000001 |
Publication Date |
2023-04-27 |
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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 |
0021-8979; 1089-7550 |
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 |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:200351 |
Serial |
9105 |
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Author |
Mehmonov, K.; Ergasheva, A.; Yusupov, M.; Khalilov, U. |
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Title |
The role of carbon monoxide in the catalytic synthesis of endohedral carbyne |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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Volume |
134 |
Issue |
14 |
Pages |
144303-144307 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The unique physical properties of carbyne, a novel carbon nanostructure, have attracted considerable interest in modern nanotechnology. While carbyne synthesis has been accomplished successfully using diverse techniques, the underlying mechanisms governing the carbon monoxide-dependent catalytic synthesis of endohedral carbyne remain poorly understood. In this simulation-based study, we investigate the synthesis of endohedral carbyne from carbon and carbon monoxide radicals in the presence of a nickel catalyst inside double-walled carbon nanotubes with a (5,5)@(10,10) structure. The outcome of our investigation demonstrates that the incorporation of the carbon atom within the Ni-n@(5,5)@(10,10) model system initiates the formation of an elongated carbon chain. In contrast, upon the introduction of carbon monoxide radicals, the growth of the carbyne chain is inhibited as a result of the oxidation of endohedral nickel clusters by oxygen atoms after the initial steps of nucleation. Our findings align with prior theoretical, simulation, and experimental investigations, reinforcing their consistency and providing valuable insights into the synthesis of carbyne-based nanodevices that hold promising potential for future advancements in nanotechnology. |
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Wos |
001083993400003 |
Publication Date |
2023-10-10 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.2 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.2; 2023 IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:201233 |
Serial |
9106 |
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Author |
Gamon, J.; Bassat, J.-M.; Villesuzanne, A.; Duttine, M.; Batuk, M.; Vandemeulebroucke, D.; Hadermann, J.; Alassani, F.; Weill, F.; Durand, E.; Demourgues, A. |
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Title |
Impact of anionic ordering on the iron site distribution and valence states in oxyfluoride Sr2FeO3+xF1-x(x=0.08, 0.2) with a layered Perovskite network |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
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Volume |
62 |
Issue |
27 |
Pages |
10822-10832 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Sr2FeO3+x F1-x (x = 0.08, 0.2), an n = 1 Ruddlesden-Popperphase, was synthesized from the oxidationof Sr2FeO3F in air at high temperature followinga fluorine for oxygen substitution and Fe3+ to Fe4+ oxidation. A structural investigation of both compounds was performedusing complementary and high-resolution techniques (Synchrotron X-rayand electron diffraction, Mo''ssbauer spectroscopy, HR-STEM)coupled to DFT calculation. This study reveals that oxidation leadsto a high degree of apical anion disorder coupled to antiphase boundaries. Sr2FeO3F, an oxyfluoride compoundwith an n = 1 Ruddlesden-Popper structure,was identifiedas a potential interesting mixed ionic and electronic conductor (MIEC).The phase can be synthesized under a range of different pO(2) atmospheres, leading to various degrees of fluorinefor oxygen substitution and Fe4+ content. A structuralinvestigation and thorough comparison of both argon- and air-synthesizedcompounds were performed by combining high-resolution X-ray and electrondiffraction, high-resolution scanning transmission electron microscopy,Mo''ssbauer spectroscopy, and DFT calculations. While the argon-synthesizedphase shows a well-behaved O/F ordered structure, this study revealedthat oxidation leads to averaged large-scale anionic disorder on theapical site. In the more oxidized Sr2FeO3.2F0.8 oxyfluoride, containing 20% of Fe4+, two differentFe positions can be identified with a 32%/68% occupancy (P4/nmm space group). This originates due to the presenceof antiphase boundaries between ordered domains within the grains.Relations between site distortion and valence states as well as stabilityof apical anionic sites (O vs F) are discussed. This study paves theway for further studies on both ionic and electronic transport propertiesof Sr2FeO3.2F0.8 and its use in MIEC-baseddevices, such as solid oxide fuel cells. |
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Wos |
001018974700001 |
Publication Date |
2023-06-29 |
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Abbreviated Series Title |
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Edition |
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ISSN |
0020-1669 |
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 |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.6; 2023 IF: 4.857 |
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Call Number |
UA @ admin @ c:irua:197789 |
Serial |
8881 |
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Author |
Luo, Y.; He, Y.; Ding, Y.; Zuo, L.; Zhong, C.; Ma, Y.; Sun, M. |
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Title |
Defective biphenylene as high-efficiency hydrogen evolution catalysts |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
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Volume |
63 |
Issue |
2 |
Pages |
1136-1141 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Electrocatalysts play a pivotal role in advancing the application of water splitting for hydrogen production. This research unveils the potential of defective biphenylenes as high-efficiency catalysts for the hydrogen evolution reaction. Using first-principles simulations, we systematically investigated the structure, stability, and catalytic performance of defective biphenylenes. Our findings unveil that defect engineering significantly enhances the electrocatalytic activity for hydrogen evolution. Specifically, biphenylene with a double-vacancy defect exhibits an outstanding Gibbs free energy of -0.08 eV, surpassing that of Pt, accompanied by a remarkable exchange current density of -3.08 A cm(-2), also surpassing that of Pt. Furthermore, we find the preference for the Volmer-Heyrovsky mechanism in the hydrogen evolution reaction, with a low energy barrier of 0.80 eV. This research provides a promising avenue for developing novel metal-free electrocatalysts for water splitting with earth-abundant carbon elements, making a significant step toward sustainable hydrogen production. |
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Wos |
001143581300001 |
Publication Date |
2023-12-31 |
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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 |
0020-1669 |
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: 4.857 |
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Call Number |
UA @ admin @ c:irua:202780 |
Serial |
9018 |
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Author |
Mercer, Er.; Van Alphen, S.; van Deursen, Cf.a.m.; Righart, Tw.h.; Bongers, Wa.; Snyders, R.; Bogaerts, A.; van de Sanden, Mc.m.; Peeters, Fj.j. |
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Title |
Post-plasma quenching to improve conversion and energy efficiency in a CO2 microwave plasma |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Fuel |
Abbreviated Journal |
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Volume |
334 |
Issue |
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Pages |
126734 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Transforming CO2 into value-added chemicals is crucial to realizing a carbon–neutral economy, and plasma-based conversion, a Power-2-X technology, offers a promising route to realizing an efficient and scalable process. This paper investigates the effects of post-plasma placement of a converging–diverging nozzle in a vortex-stabilized 2.45 GHz CO2 microwave plasma reactor to increase energy efficiency and conversion. The CDN leads to a 21 % relative increase in energy efficiency (31 %) and CO2 conversion (13 %) at high flow rates and near-atmospheric conditions. The most significant performance improvement was seen at low flow rates and sub-atmospheric pressure (300 mbar), where energy efficiency was 23 % and conversion was 28 %, a 71 % relative increase over conditions without the CDN. Using CFD simulations, we found that the CDN produces a change in the flow geometry, leading to a confined temperature profile at the height of the plasma, and forced extraction of CO to the post-CDN region. |
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Wos |
000891307400008 |
Publication Date |
2022-11-26 |
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ISSN |
0016-2361 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.4 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
This research was supported by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No 810182 – SCOPE ERC Synergy project) and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government. In addition, this work has been carried out as part of the Plasma Power to Gas research program with reference 15325, which is by the Netherlands Organization for Scientific Research (NWO) and Alliander N.V. |
Approved |
Most recent IF: 7.4; 2023 IF: 4.601 |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:192784 |
Serial |
7235 |
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| Permanent link to this record |
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Author |
Kummamuru, N.B.; Watson, G.; Ciocarlan, R.-G.; Verbruggen, S.W.; Cool, P.; Van Der Voort, P.; Perreault, P. |
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| |
Title |
Accelerated methane storage in clathrate hydrates using mesoporous (Organo-) silica materials |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Fuel |
Abbreviated Journal |
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|
| |
Volume |
354 |
Issue |
|
Pages |
129403-129418 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA) |
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| |
Abstract |
Methane (CH4) clathrate hydrates have gained much attention in the ever-growing search for novel energy storage methods; however, they are currently limited due to their poor water-to-hydrate conversions and slow formation kinetics. To surmount these bottlenecks, significant research has been centered on the design of novel methods (porous media). In this vein, the present work explores two hydrophobic mesoporous solids, an alkyl-grafted mesoporous silica (SBA-15 C8) and a periodic mesoporous organosilica (Ring-PMO), in their ability to promote CH4 clathrates. Both materials have shown to facilitate CH4 clathrate formation at mild operating conditions (6 MPa and 269–276 K). The study revealed that the maximal CH4 storage capacities are strongly linked to the critical/optimal quantity of water in the system which was determined to be at 130% and 200% of the pore volume for SBA-15 C8 and Ring-PMO, respectively. Up to 90% and 95% of the maximum water-to-hydrate conversions were achieved in 90 min at the lowest experimental temperature and critical water content for SBA-15 C8 and Ring-PMO, respectively. At these conditions, SBA-15 C8 and Ring-PMO showed a maximum gas uptake of 98.2 and 101.2 mmol CH4/mol H2O, respectively. Both the materials exhibited no chemical or morphological changes post-clathrate formations (characterized using FT-IR, N2 sorption, XRD, and TEM), inferring their viability as clathrate promoters for multiple cycles. An integrated multistep model was considered adequate for representing the hydrate crystallization kinetics and fits well with the experimental kinetic data with a low average absolute deviation in water-to-hydrate conversions among the three distinct kinetic models analyzed. Overall, the results from this study demonstrate hydrophobic porous materials as effective promoters of CH4 clathrates, which could make clathrate-based CH4 storage and transport technology industrially viable. |
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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 |
001059413200001 |
Publication Date |
2023-08-07 |
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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 |
|
Edition |
|
|
| |
ISSN |
0016-2361 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
7.4 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 07.02.2024 |
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| |
Notes |
|
Approved |
Most recent IF: 7.4; 2023 IF: 4.601 |
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| |
Call Number |
UA @ admin @ c:irua:197987 |
Serial |
8829 |
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| Permanent link to this record |
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Author |
Byrnes, I.; Rossbach, L.M.; Jaroszewicz, J.; Grolimund, D.; Sanchez, D.F.; Gomez-Gonzalez, M.A.; Nuyts, G.; Reinoso-Maset, E.; Janssens, K.; Salbu, B.; Brede, D.A.; Lind, O.C. |
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Title |
Synchrotron XRF and histological analyses identify damage to digestive tract of uranium NP-exposed Daphnia magna |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Environmental science and technology |
Abbreviated Journal |
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| |
Volume |
57 |
Issue |
2 |
Pages |
1071-1079 |
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Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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| |
Abstract |
Micro-and nanoscopic X-ray techniques were used to investigate the relationship between uranium (U) tissue distributions and adverse effects to the digestive tract of aquatic model organism Daphnia magna following uranium nanoparticle (UNP) exposure. X-ray absorption computed tomography measure-ments of intact daphnids exposed to sublethal concentrations of UNPs or a U reference solution (URef) showed adverse morphological changes to the midgut and the hepatic ceca. Histological analyses of exposed organisms revealed a high proportion of abnormal and irregularly shaped intestinal epithelial cells. Disruption of the hepatic ceca and midgut epithelial tissues implied digestive functions and intestinal barriers were compro-mised. Synchrotron-based micro X-ray fluorescence (XRF) elemental mapping identified U co-localized with morphological changes, with substantial accumulation of U in the lumen as well as in the epithelial tissues. Utilizing high-resolution nano-XRF, 400-1000 nm sized U particulates could be identified throughout the midgut and within hepatic ceca cells, coinciding with tissue damages. The results highlight disruption of intestinal function as an important mode of action of acute U toxicity in D. magna and that midgut epithelial cells as well as the hepatic ceca are key target organs. |
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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 |
000910915100001 |
Publication Date |
2023-01-04 |
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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 |
0013-936x; 1520-5851 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
11.4 |
Times cited |
|
Open Access |
OpenAccess |
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| |
Notes |
|
Approved |
Most recent IF: 11.4; 2023 IF: 6.198 |
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| |
Call Number |
UA @ admin @ c:irua:193478 |
Serial |
7342 |
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| Permanent link to this record |
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Author |
Almabadi, M.H.; Truta, F.M.; Adamu, G.; Cowen, T.; Tertis, M.; Alanazi, K.D.M.; Stefan, M.-G.; Piletska, E.; Kiss, B.; Cristea, C.; De Wael, K.; Piletsky, S.A.; Cruz, A.G. |
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Title |
Integration of smart nanomaterials for highly selective disposable sensors and their forensic applications in amphetamine determination |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Electrochimica acta |
Abbreviated Journal |
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| |
Volume |
446 |
Issue |
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Pages |
142009-142010 |
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Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
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Abstract |
Screening drugs on the street and biological samples pose a challenge to law enforcement agencies due to existing detection methods and instrument limitations. Herein we present a graphene-assisted molecularly imprinted polymer nanoparticle-based sensor for amphetamine. These nanoparticles are electroactive by incorporating ferrocene in their structure. These particles act as specific actuators in electrochemical sensors, and the presence of a ferrocene redox probe embedded in the structure allows the detection of non-electroactive amphetamine. In a control approach, nanoparticles were covalently immobilised onto electrochemical sensors by drop-casting using silanes. Alternatively, nanoparticles were immobilised employing 3D printing and a graphene ink composite. The electrochemical performance of both approaches was evaluated. As a result, 3D printed nanoMIPs/graphene sensors displayed the highest selectivity in spiked human plasma, with sensitivity at 73 nA nM-1, LOD of 68 nM (RSD 2.4%) when compared to the silane drop cast electrodes. The main advantage of the optimised 3D printing technology is that it allows quantitative determination of amphetamine, a nonelectroactive drug, challenging to detect with conventional electrochemical sensors. In addition, the costefficient 3D printing method makes these sensors easy to manufacture, leading to robust, highly selective and sensitive sensors. As proof of concept, sensors were evaluated on the street specimens and clinically relevant samples and successfully validated using UPLC-MS. |
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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 |
000953087600001 |
Publication Date |
2023-02-09 |
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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 |
0013-4686 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.6 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 6.6; 2023 IF: 4.798 |
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Call Number |
UA @ admin @ c:irua:196145 |
Serial |
8888 |
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| Permanent link to this record |
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Author |
Vallicrosa, H.; Lugli, L.F.; Fuchslueger, L.; Sardans, J.; Ramirez-Rojas, I.; Verbruggen, E.; Grau, O.; Brechet, L.; Peguero, G.; Van Langenhove, L.; Verryckt, L.T.; Terrer, C.; Llusia, J.; Ogaya, R.; Marquez, L.; Roc-Fernandez, P.; Janssens, I.; Penuelas, J. |
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Title |
Phosphorus scarcity contributes to nitrogen limitation in lowland tropical rainforests |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Ecology |
Abbreviated Journal |
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| |
Volume |
104 |
Issue |
6 |
Pages |
e4049-12 |
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Keywords |
A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change |
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Abstract |
There is increasing evidence to suggest that soil nutrient availability can limit the carbon sink capacity of forests, a particularly relevant issue considering today's changing climate. This question is especially important in the tropics, where most part of the Earth's plant biomass is stored. To assess whether tropical forest growth is limited by soil nutrients and to explore N and P limitations, we analyzed stem growth and foliar elemental composition of the five stem widest trees per plot at two sites in French Guiana after 3 years of nitrogen (N), phosphorus (P), and N + P addition. We also compared the results between potential N-fixer and non-N-fixer species. We found a positive effect of N fertilization on stem growth and foliar N, as well as a positive effect of P fertilization on stem growth, foliar N, and foliar P. Potential N-fixing species had greater stem growth, greater foliar N, and greater foliar P concentrations than non-N-fixers. In terms of growth, there was a negative interaction between N-fixer status, N + P, and P fertilization, but no interaction with N fertilization. Because N-fixing plants do not show to be completely N saturated, we do not anticipate N providing from N-fixing plants would supply non-N-fixers. Although the soil-age hypothesis only anticipates P limitation in highly weathered systems, our results for stem growth and foliar elemental composition indicate the existence of considerable N and P co-limitation, which is alleviated in N-fixing plants. The evidence suggests that certain mechanisms invest in N to obtain the scarce P through soil phosphatases, which potentially contributes to the N limitation detected by this study. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000977760600001 |
Publication Date |
2023-04-11 |
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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 |
0012-9658; 1939-9170 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:196804 |
Serial |
9218 |
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| Permanent link to this record |
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Author |
Andersen, Ja.; van 't Veer, K.; Christensen, Jm.; Østberg, M.; Bogaerts, A.; Jensen, Ad. |
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Title |
Ammonia decomposition in a dielectric barrier discharge plasma: Insights from experiments and kinetic modeling |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Chemical engineering science |
Abbreviated Journal |
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| |
Volume |
271 |
Issue |
|
Pages |
118550 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Utilizing ammonia as a storage medium for hydrogen is currently receiving increased attention. A possible method to retrieve the hydrogen is by plasma-catalytic decomposition. In this work, we combined an experimental study, using a dielectric barrier discharge plasma reactor, with a plasma kinetic model, to get insights into the decomposition mechanism. The experimental results revealed a similar effect on the ammonia conversion when changing the flow rate and power, where increasing the specific energy input (higher power or lower flow rate) gave an increased conversion. A conversion as high as 82 % was achieved at a specific energy input of 18 kJ/Nl. Furthermore, when changing the discharge volume from 31 to 10 cm3, a change in the plasma distribution factor from 0.2 to 0.1 was needed in the model to best describe the conversions of the experiments. This means that a smaller plasma volume caused a higher transfer of energy through micro-discharges (non-uniform plasma), which was found to promote the decomposition of ammonia. These results indicate that it is the collisions between NH3 and the high-energy electrons that initiate the decomposition. Moreover, the rate of ammonia destruction was found by the model to be in the order of 1022 molecules/(cm3 s) during the micro-discharges, which is 5 to 6 orders of magnitude higher than in the afterglows. A considerable re-formation of ammonia was found to take place in the afterglows, limiting the overall conversion. In addition, the model revealed that implementation of packing material in the plasma introduced high concentrations of surface-bound hydrogen atoms, which introduced an additional ammonia re-formation pathway through an Eley-Rideal reaction with gas phase NH2. Furthermore, a more uniform plasma is predicted in the presence of MgAl2O4, which leads to a lower average electron energy during micro-discharges and a lower conversion (37 %) at a comparable residence time for the plasma alone (51 %). |
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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 |
000946293200001 |
Publication Date |
2023-02-09 |
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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 |
|
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 |
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Open Access |
OpenAccess |
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Notes |
We thank Topsoe A/S for providing the packing material used, the research group PLASMANT (UAntwerpen) for sharing their plasma kinetic model and allowing us to perform the calculations on their clusters, and the Department of Chemical and Biochemical Engineering, Technical University of Denmark, for funding this project. |
Approved |
Most recent IF: 4.7; 2023 IF: 2.895 |
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Call Number |
PLASMANT @ plasmant @c:irua:195204 |
Serial |
7237 |
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| Permanent link to this record |
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Author |
Mirzakhani, M.; Myoung, N.; Peeters, F.M.; Park, H.C. |
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Title |
Electronic Mach-Zehnder interference in a bipolar hybrid monolayer-bilayer graphene junction |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Carbon |
Abbreviated Journal |
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| |
Volume |
201 |
Issue |
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Pages |
734-744 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Graphene matter in a strong magnetic field, realizing one-dimensional quantum Hall channels, provides a unique platform for studying electron interference. Here, using the Landauer-Buttiker formalism along with the tightbinding model, we investigate the quantum Hall (QH) effects in unipolar and bipolar monolayer-bilayer graphene (MLG-BLG) junctions. We find that a Hall bar made of an armchair MLG-BLG junction in the bipolar regime results in valley-polarized edgechannel interferences and can operate a fully tunable Mach-Zehnder (MZ) interferometer device. Investigation of the bar-width and magnetic-field dependence of the conductance oscillations shows that the MZ interference in such structures can be drastically affected by the type of (zigzag) edge termination of the second layer in the BLG region [composed of vertical dimer or non-dimer atoms]. Our findings reveal that both interfaces exhibit a double set of Aharonov-Bohm interferences, with the one between two oppositely valley-polarized edge channels dominating and causing a large amplitude conductance oscillation ranging from 0 to 2e2/h. We explain and analyze our findings by analytically solving the Dirac-Weyl equation for a gated semi-infinite MLG-BLG junction. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000868911500004 |
Publication Date |
2022-09-28 |
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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 |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
10.9 |
Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 10.9; 2023 IF: 6.337 |
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Call Number |
UA @ admin @ c:irua:191516 |
Serial |
7302 |
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| Permanent link to this record |
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Author |
Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. |
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Title |
Modeling symmetric and defect-free carbon schwarzites into various zeolite templates |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Carbon |
Abbreviated Journal |
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Volume |
215 |
Issue |
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Pages |
118385-118389 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures. |
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Place of Publication |
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Language |
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Wos |
001078649800001 |
Publication Date |
2023-09-04 |
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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 |
0008-6223 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
10.9 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 10.9; 2023 IF: 6.337 |
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Call Number |
UA @ admin @ c:irua:200314 |
Serial |
9057 |
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Author |
Oliveira, M.C.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Effect of lipid oxidation on the channel properties of Cx26 hemichannels : a molecular dynamics study |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Archives of biochemistry and biophysics |
Abbreviated Journal |
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Volume |
746 |
Issue |
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Pages |
109741-12 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Intercellular communication plays a crucial role in cancer, as well as other diseases, such as inflammation, tissue degeneration, and neurological disorders. One of the proteins responsible for this, are connexins (Cxs), which come together to form a hemichannel. When two hemichannels of opposite cells interact with each other, they form a gap junction (GJ) channel, connecting the intracellular space of these cells. They allow the passage of ions, reactive oxygen and nitrogen species (RONS), and signaling molecules from the interior of one cell to another cell, thus playing an essential role in cell growth, differentiation, and homeostasis. The importance of GJs for disease induction and therapy development is becoming more appreciated, especially in the context of oncology. Studies have shown that one of the mechanisms to control the formation and disruption of GJs is mediated by lipid oxidation pathways, but the underlying mechanisms are not well understood. In this study, we performed atomistic molecular dynamics simulations to evaluate how lipid oxidation influences the channel properties of Cx26 hemichannels, such as channel gating and permeability. Our results demonstrate that the Cx26 hemichannel is more compact in the presence of oxidized lipids, decreasing its pore diameter at the extracellular side and increasing it at the amino terminus domains, respectively. The permeability of the Cx26 hemichannel for water and RONS molecules is higher in the presence of oxidized lipids. The latter may facilitate the intracellular accumulation of RONS, possibly increasing oxidative stress in cells. A better understanding of this process will help to enhance the efficacy of oxidative stress-based cancer treatments. |
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Place of Publication |
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Language |
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Wos |
001079100300001 |
Publication Date |
2023-09-07 |
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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 |
0003-9861; 1096-0384 |
ISBN |
|
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 |
|
Approved |
Most recent IF: 3.9; 2023 IF: 3.165 |
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Call Number |
UA @ admin @ c:irua:200282 |
Serial |
9028 |
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| Permanent link to this record |
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Author |
Li, L.L.; Gillen, R.; Palummo, M.; Milošević, M.V.; Peeters, F.M. |
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Title |
Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂ heterobilayers |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Applied physics letters |
Abbreviated Journal |
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Volume |
123 |
Issue |
3 |
Pages |
033102-33106 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain. |
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Wos |
001033604700003 |
Publication Date |
2023-07-20 |
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Edition |
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ISSN |
0003-6951; 1077-3118 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4; 2023 IF: 3.411 |
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Call Number |
UA @ admin @ c:irua:198382 |
Serial |
8823 |
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Author |
Kourmoulakis, G.; Michail, A.; Paradisanos, I.; Marie, X.; Glazov, M.M.; Jorissen, B.; Covaci, L.; Stratakis, E.; Papagelis, K.; Parthenios, J.; Kioseoglou, G. |
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Title |
Biaxial strain tuning of exciton energy and polarization in monolayer WS2 |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
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Volume |
123 |
Issue |
22 |
Pages |
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Keywords |
A1 Journal Article; Condensed Matter Theory (CMT) ; |
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Abstract |
We perform micro-photoluminescence and Raman experiments to examine the impact of biaxial tensile strain on the optical properties of WS2 monolayers. A strong shift on the order of −130 meV per % of strain is observed in the neutral exciton emission at room temperature. Under near-resonant excitation, we measure a monotonic decrease in the circular polarization degree under the applied strain. We experimentally separate the effect of the strain-induced energy detuning and evaluate the pure effect coming from the biaxial strain. The analysis shows that the suppression of the circular polarization degree under the biaxial strain is related to an interplay of energy and polarization relaxation channels as well as to variations in the exciton oscillator strength affecting the long-range exchange interaction. |
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Wos |
001124156400003 |
Publication Date |
2023-11-27 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
0003-6951 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
4 |
Times cited |
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Open Access |
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Notes |
Hellenic Foundation for Research and Innovation, HFRI-FM17-3034 ; |
Approved |
Most recent IF: 4; 2023 IF: 3.411 |
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Call Number |
CMT @ cmt @c:irua:202178 |
Serial |
8991 |
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Author |
Alvarez-Martin, A.; Quanico, J.; Scovacricchi, T.; Avranovich Clerici, E.; Baggerman, G.; Janssens, K. |
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Title |
Chemical mapping of the degradation of geranium lake in paint cross sections by MALDI-MSI |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Analytical chemistry |
Abbreviated Journal |
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Volume |
95 |
Issue |
49 |
Pages |
18215-18223 |
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Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS); Ecosphere |
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Abstract |
Matrix assisted laser desorption ionization-mass spectrometry imaging (MALDI-MSI) has become a powerful method to extract spatially resolved chemical information in complex materials. This study provides the first use of MALDI-MSI to define spatial–temporal changes in oil paints. Due to the highly heterogeneous nature of oil paints, the sample preparation had to be optimized to prevent molecules from delocalizing. Here, we present a new protocol for the layer-specific analysis of oil paint cross sections achieving a lateral resolution of 10 μm and without losing ionization efficiency due to topographic effects. The efficacy of this method was investigated in oil paint samples containing a mixture of two historic organic pigments, geranium lake and lead white, a mixture often employed in the work of painter Vincent Van Gogh. This methodology not only allows for spatial visualization of the molecules responsible for the pink hue of the paint but also helps to elucidate the chemical changes behind the discoloration of paintings with this composition. The results demonstrate that this approach provides valuable molecular compositional information about the degradation pathways of pigments in specific paint layers and their interaction with the binding medium and other paint components and with light over time. Since a spatial correlation between molecular species and the visual pattern of the discoloration pattern can be made, we expect that mass spectrometry imaging will become highly relevant in future degradation studies of many more historical pigments and paints. |
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Wos |
001142876000001 |
Publication Date |
2023-11-23 |
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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 |
0003-2700; 5206-882x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.4 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 7.4; 2023 IF: 6.32 |
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Call Number |
UA @ admin @ c:irua:201644 |
Serial |
9007 |
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Author |
Ren, P.; Zhang, T.; Jain, N.; Ching, H.Y.V.; Jaworski, A.; Barcaro, G.; Monti, S.; Silvestre-Albero, J.; Celorrio, V.; Chouhan, L.; Rokicinska, A.; Debroye, E.; Kustrowski, P.; Van Doorslaer, S.; Van Aert, S.; Bals, S.; Das, S. |
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Title |
An atomically dispersed Mn-photocatalyst for generating hydrogen peroxide from seawater via the Water Oxidation Reaction (WOR) |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
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Volume |
145 |
Issue |
30 |
Pages |
16584-16596 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY); Theory and Spectroscopy of Molecules and Materials (TSM²) |
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Abstract |
In this work, we have fabricatedan aryl amino-substitutedgraphiticcarbon nitride (g-C3N4) catalyst with atomicallydispersed Mn capable of generating hydrogen peroxide (H2O2) directly from seawater. This new catalyst exhibitedexcellent reactivity, obtaining up to 2230 & mu;M H2O2 in 7 h from alkaline water and up to 1800 & mu;Mfrom seawater under identical conditions. More importantly, the catalystwas quickly recovered for subsequent reuse without appreciable lossin performance. Interestingly, unlike the usual two-electron oxygenreduction reaction pathway, the generation of H2O2 was through a less common two-electron water oxidation reaction(WOR) process in which both the direct and indirect WOR processesoccurred; namely, photoinduced h(+) directly oxidized H2O to H2O2 via a one-step 2e(-) WOR, and photoinduced h(+) first oxidized a hydroxide (OH-) ion to generate a hydroxy radical ((OH)-O-& BULL;), and H2O2 was formed indirectly by thecombination of two (OH)-O-& BULL;. We have characterized thematerial, at the catalytic sites, at the atomic level using electronparamagnetic resonance, X-ray absorption near edge structure, extendedX-ray absorption fine structure, high-resolution transmission electronmicroscopy, X-ray photoelectron spectroscopy, magic-angle spinningsolid-state NMR spectroscopy, and multiscale molecular modeling, combiningclassical reactive molecular dynamics simulations and quantum chemistrycalculations. |
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Wos |
001034983300001 |
Publication Date |
2023-07-24 |
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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 |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
21 |
Open Access |
Not_Open_Access |
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Notes |
S.D. thanks the IOF grant and Francqui start up grant from the University of Antwerp, Belgium, for the financial support. P.R. thanks CSC and T.Z. thanks FWO for their financial assistance to finish this work. E.D. would like to thank the KU Leuven Research Fund for financial support through STG/21/010. J.S.A. acknowledges financial support from MCIN/AEI/10.13039/501100011033 and EU NextGeneration/PRTR (Project PCI2020-111968/3D-Photocat) and Diamond Synchrotron (rapid access proposal SP32609). This work was supported by the European Research Council (grant 770887-PICOMETRICS to S.V.A. and Grant 815128-REALNANO to S.B.). S.B. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium, project G.0346.21 N). We also thank Mr. Jian Zhu and Mr. Shahid Ullah Khan from the University of Antwerp, Belgium, for helpful discussions. |
Approved |
Most recent IF: 15; 2023 IF: 13.858 |
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Call Number |
UA @ admin @ c:irua:198426 |
Serial |
8831 |
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Author |
Broers, F.T.H.; Janssens, K.; Weker, J.N.; Webb, S.M.; Mehta, A.; Meirer, F.; Keune, K. |
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Title |
Two pathways for the degradation of orpiment pigment (As₂S₃) found in paintings |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
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Volume |
145 |
Issue |
16 |
Pages |
8847-8859 |
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Keywords |
A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Paintings are complex objects containing many different chemical compounds that can react over time. The degradation of arsenic sulfide pigments causes optical changes in paintings. The main degradation product was thought to be white arsenolite (As2O3), but previous research also showed the abundant presence of As(V) species. In this study, we investigate the influence of the presence of a medium on the degradation mechanism of orpiment (As2S3) using synchrotron radiation (SR)-based tomographic transmission X-ray microscopy, SR-based micro-X-ray fluorescence, and Xray absorption near edge structure spectroscopy. Upon direct illumination of dry orpiment powder using UV-visible light, only the formation of As2O3 was observed. When As2S3 was surrounded by a medium and illuminated, As2O3 was only observed in the area directly exposed to light, while As(V) degradation species were found elsewhere in the medium. Without accelerated artificial light aging, As(V)(aq) species are formed and migrate throughout the medium within weeks after preparation. In both scenarios, the As(V) species form via intermediate As(III)(aq) species and the presence of a medium is necessary. As(V)(aq) species can react with available cations to form insoluble metal arsenates, which induces stress within the paint layers (leading to, e.g., cracks and delamination) or can lead to a visual change of the image of the painting. |
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Wos |
000974346900001 |
Publication Date |
2023-04-14 |
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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 |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 15; 2023 IF: 13.858 |
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Call Number |
UA @ admin @ c:irua:196762 |
Serial |
8948 |
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Author |
Singh, A.; Yuan, B.; Rahman, M.H.; Yang, H.; De, A.; Park, J.Y.; Zhang, S.; Huang, L.; Mannodi-Kanakkithodi, A.; Pennycook, T.J.; Dou, L. |
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Title |
Two-dimensional halide Pb-perovskite-double perovskite epitaxial heterostructures |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
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Volume |
145 |
Issue |
36 |
Pages |
19885-19893 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Epitaxial heterostructures of two-dimensional (2D) halide perovskites offer a new platform for studying intriguing structural, optical, and electronic properties. However, difficulties with the stability of Pb- and Sn-based heterostructures have repeatedly slowed the progress. Recently, Pb-free halide double perovskites are gaining a lot of attention due to their superior stability and greater chemical diversity, but they have not been successfully incorporated into epitaxial heterostructures for further investigation. Here, we report epitaxial core-shell heterostructures via growing Pb-free double perovskites (involving combinations of Ag(I)-Bi(III), Ag-Sb, Ag-In, Na-Bi, Na-Sb, and Na-In) around Pb perovskite 2D crystals. Distinct from Pb-Pb and Pb-Sn perovskite heterostructures, growths of the Pb-free shell at 45 degrees on the (100) surface of the lead perovskite core are observed in all Pb-free cases. The in-depth structural analysis carried out with electron diffraction unequivocally demonstrates the growth of the Pb-free shell along the [110] direction of the Pb perovskite, which is likely due to the relatively lower surface energy of the (110) surface. Furthermore, an investigation of anionic interdiffusion across heterostructure interfaces under the influence of heat was carried out. Interestingly, halide anion diffusion in the Pb-free 2D perovskites is found to be significantly suppressed as compared to Pb-based 2D perovskites. The great structural tunability and excellent stability of Pb-free perovskite heterostructures may find uses in electronic and optoelectronic devices in the near future. |
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Wos |
001060980300001 |
Publication Date |
2023-08-31 |
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Series Editor |
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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 |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
15 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 15; 2023 IF: 13.858 |
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Call Number |
UA @ admin @ c:irua:200342 |
Serial |
9111 |
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Author |
Dinger, J.; Friedrich, T.; Reimann, T.; Toepfer, J. |
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Title |
NiMn₂O₄ revisited : temperature-dependent cation distribution from in situ neutron diffraction and thermopower studies |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of the American Ceramic Society |
Abbreviated Journal |
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Volume |
106 |
Issue |
3 |
Pages |
1834-1847 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The cation distribution of the negative temperature coefficient (NTC) thermistor spinel NiMn2O4 was studied in the temperature range from 55 to 900 degrees C, using a combined in situ neutron diffraction and thermopower study. Rietveld refinements of in situ neutron diffraction data reveal a temperature dependence of the degree of inversion with an inversion parameter of 0.70(1) at 900 degrees C and 0.87(1) at 55 degrees C. Thermopower measurements were evaluated using a modified Heikes formula, and the [Mn4+]/[Mn3+] ratio on octahedral sites of the spinel structure was calculated considering spin and orbital degeneracy. The inversion degree and disproportionation parameter, determined independently as function of temperature, were used to calculate the cation distribution of NiMn2O4 in the whole temperature range. At high temperature, within the stability range of the spinel, the cation distribution is characterized by a moderate degree of inversion with a concentration of NiB2+${\mathrm{Ni}}\mathrm{B}< |
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Wos |
000880360600001 |
Publication Date |
2022-10-21 |
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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 |
0002-7820 |
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 |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 3.9; 2023 IF: 2.841 |
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Call Number |
UA @ admin @ c:irua:192087 |
Serial |
7326 |
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Author |
Mosquera, J.; Wang, D.; Bals, S.; Liz-Marzan, L.M. |
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Title |
Surfactant layers on gold nanorods |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Accounts of chemical research |
Abbreviated Journal |
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Volume |
56 |
Issue |
10 |
Pages |
1204-1212 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Gold nanorods (Au NRs) are an exceptionally promising tool in nanotechnology due to three key factors: (i) their strong interaction with electromagnetic radiation, stemming from their plasmonic nature, (ii) the ease with which the resonance frequency of their longitudinal plasmon mode can be tuned from the visible to the near-infrared region of the electromagnetic spect r u m based on their aspect ratio, and (iii) their simple and cost-effective preparation through seed-mediated chemical growth. In this synthetic method, surfactants play a critical role in controlling the size, shape, and colloidal stabi l i t y of Au NRs. For example, surfactants can stabilize specific crystallographic facets during the formation of Au NRs, leading to t h e formation of NRs with specific morphologies. The process of surfactant adsorption onto the NR surface may result in various assemblies of surfactant molecules, such as spherical micelles, elongated micelles, or bilayers. Again, the assembly mode is critical toward determining the further availabi l i t y of the Au NR surface to the surrounding medium. Despite its importance and a great deal of research effort, the interaction between Au NPs and surfactants remains insufficiently understood, because the assembly process is influenced by numerous factors, including the chemical nature of the surfactant, the surface morphology of Au NPs, and solution parameters. Therefore, gaining a more comprehensive understanding of these interactions is essential to unlock the full potential of the seed-mediated growth method and the applications of plasmonic NPs. A plethora of characterization techniques have been applied to reach such an understanding , but many open questions remain. In this Account, we review the current knowledge on the interactions between surfactants and Au NRs. We briefly introduce the state-of-the-art methods for synthesizing Au NRs and highlight the crucial role of cationic surfactants during this process. The self-assembly and organization of surfactants on the Au NR surface is then discussed to better understand their role in seed-mediated growth. Subsequently, we provide examples and elucidate how chemical additives can be used to modulate micellar assemblies, in turn allowing for a finer control over the growth of Au NRs, including chiral NRs. Next, we review the main experimental characterization and computational modeling techniques that have been applied to shed light on the arrangement of surfactants on Au NRs and summarize the advantages and disadvantages for each technique. The Account ends with a “Conclusions and Outlook” section, outlining promising future research directions and developments that we consider are sti l l required, mostly related to the application of electron microscopy in liquid and in 3D. Finally, we remark on the potential of exploiting machine learning techniques to predict synthetic routes for NPs with predefined structures and properties. |
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Wos |
000986447000001 |
Publication Date |
2023-05-08 |
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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 |
0001-4842 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
18.3 |
Times cited |
8 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.; ERC AdG No. 787510, 4DbioSERS to L.M.L.-M.) , from MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020-117779RB-I00 to L.M.L.-M. and Grants RYC2019-027842-I , PID2020-117885GA-I00 to J.M.) , and by Guangdong Provincial Key Laboratory of Optical Information Materials and Technology (No. 2017B030301007) , National Center for International Research on Green Optoelectronics (No. 2016B01018) , MOE Interna-tional Laboratory for Optical Information Technologies, and the 111 projects. |
Approved |
Most recent IF: 18.3; 2023 IF: 20.268 |
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Call Number |
UA @ admin @ c:irua:196768 |
Serial |
8940 |
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Author |
Meng, S.; Wu, L.; Liu, M.; Cui, Z.; Chen, Q.; Li, S.; Yan, J.; Wang, L.; Wang, X.; Qian, J.; Guo, H.; Niu, J.; Bogaerts, A.; Yi, Y. |
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Title |
Plasma‐driven<scp>CO2</scp>hydrogenation to<scp>CH3OH</scp>over<scp>Fe2O3</scp>/<scp>γ‐Al2O3</scp>catalyst |
Type |
A1 Journal Article |
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Year |
2023 |
Publication |
AIChE Journal |
Abbreviated Journal |
AIChE Journal |
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Volume |
69 |
Issue |
10 |
Pages |
e18154 |
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Keywords |
A1 Journal Article; chemisorbed oxygen, CO2 hydrogenation, iron-based catalyst, methanol production, plasma catalysis; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
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Abstract |
We report a plasma‐assisted CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH over Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>catalysts, achieving 12% CO<sub>2</sub>conversion and 58% CH<sub>3</sub>OH selectivity at a temperature of nearly 80°C atm pressure. We investigated the effect of various supports and loadings of the Fe‐based catalysts, as well as optimized reaction conditions. We characterized catalysts by X‐ray powder diffraction (XRD), hydrogen temperature programmed reduction (H<sub>2</sub>‐TPR), CO<sub>2</sub>and CO temperature programmed desorption (CO<sub>2</sub>/CO‐TPD), high‐resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), x‐ray photoelectron spectroscopy (XPS), Mössbauer, and Fourier transform infrared<bold>(</bold>FTIR). The XPS results show that the enhanced CO<sub>2</sub>conversion and CH<sub>3</sub>OH selectivity are attributed to the chemisorbed oxygen species on Fe<sub>2</sub>O<sub>3</sub>/γ‐Al<sub>2</sub>O<sub>3</sub>. Furthermore, the diffuse reflectance infrared Fourier transform spectroscopy (DRIFTs) and TPD results illustrate that the catalysts with stronger CO<sub>2</sub>adsorption capacity exhibit a higher reaction performance.<italic>In situ</italic>DRIFTS gain insight into the specific reaction pathways in the CO<sub>2</sub>/H<sub>2</sub>plasma. This study reveals the role of chemisorbed oxygen species as a key intermediate, and inspires to design highly efficient catalysts and expand the catalytic systems for CO<sub>2</sub>hydrogenation to CH<sub>3</sub>OH. |
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001022420000001 |
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2023-07-07 |
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0001-1541 |
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UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
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Open Access |
Not_Open_Access |
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Notes |
Fundamental Research Funds for the Central Universities, DUT18JC42 ; National Natural Science Foundation of China, 21908016 21978032 ; |
Approved |
Most recent IF: 3.7; 2023 IF: 2.836 |
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Call Number |
PLASMANT @ plasmant @c:irua:197829 |
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8959 |
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Author |
Van Alphen, S. |
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Title |
Modelling plasma reactors for sustainable CO2 conversion and N2 fixation |
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Doctoral thesis |
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2023 |
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202 p. |
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Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
200 years ago, humanity started the industrial revolution by discovering fossil fuels, which lead to unprecedented technological advancements. However it has become alarmingly clear that the major environmental concerns associated with fossil fuels require a short-term transition from a carbon-based energy economy to a sustainable one based on green electricity. A key step concerning this transition exists in developing electricity-driven alternatives for chemical processes that rely on fossil fuels as a raw material. A technology that is gaining increasing interest to achieve this, is plasma technology. Using plasmas to induce chemical reactions by selectively heating electrons in a gas has already delivered promising results for gas conversion applications like CO2 conversion and N2 fixation, but plasma reactors still require optimization to be considered industrially competitive to existing fossil fuel-based processes and emerging other electricity-based technologies. In this thesis I develop computational models to describe plasma reactors and identify key mechanisms in three different plasma reactors for three different gas conversion applications, i.e. N2 fixation, combined CO2-CH4 conversion and CO2 splitting. I first developed models to describe a new rotating gliding arc (GA) reactor operating in two arc modes, which, as revealed by my model, are characterized by distinct plasma chemistry pathways. Subsequently, my colleague and I study the quenching effect of an effusion nozzle to this rotating GA reactor, reaching the best results to date for N2 fixation into NOx at atmospheric pressure, i.e., NOx concentrations up to 5.9%, at an energy cost down to 2.1 MJ/mol. Afterwards, I investigate the possible improvement of N2 admixtures in plasma-based CO2 and CH4 conversion, as significant amounts of N2 are often found in industrial CO2 waste streams, and gas separations are financially costly. Through combining my models with the experiment from a fellow PhD student, we reveal that moderate amounts of N2 (i.e. around 20%) increase both the electron density and the gas temperature to yield an overall energy cost reduction of 21%. Finally, I model quenching nozzles for plasma-based CO2 conversion in a microwave reactor, to explain the enhancements in CO2 conversion that were demonstrated in experiments. Through computational modelling I reveal that the nozzle introduces fast gas quenching resulting in the suppression of recombination reactions, which have more impact at low flow rates, where recombination is the most limiting factor in the conversion process. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:194811 |
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7270 |
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Author |
Kovács, A. |
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A structured methodology for natural deep eutectic solvent selection and formulation for enzymatic reactions |
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Doctoral thesis |
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2023 |
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viii, 216 p. |
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Doctoral thesis; Engineering sciences. Technology; 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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Natural deep eutectic solvents (NADES) show great promise as media for enzymatic reactions in areas where (bio)compatibility with natural or medicinal products is a must. While in theory they can be tailored to the intended reaction to ensure optimized yields, the knowledge to date is predominantly empirical, with some mechanistic reports providing a fragmented view at best. Therefore, it is not easy to explain experimental observations, let alone make predictions. The aim of this study was to develop a structured, holistic understanding of the effects of NADES media on enzymatic reactions, distinguishing between effects on solubility, solvation, viscosity, inhibition and denaturation. Experimental and computational chemistry methods were combined to separately study the interactions between enzyme, substrate, and NADES as reaction media. The initial enzyme activity and the final conversion of vinyl laurate transesterification by immobilized Candida antarctica lipase were studied experimentally. The direct effect of NADES on the same enzyme was modeled by molecular dynamics simulation. The effect of solubility was studied by both experimental and computational methods. To predict the solubility and viscosity of NADES, data-driven models were developed by combining group contribution and machine learning methods, based on the accumulated experimental knowledge on NADES found in the literature. Finally, the composed relationships and prediction models were applied to the practical example of deacetylation of mannosylerythritol lipids (MELs). The experimental findings show that the chosen NADES system has a significant effect on both the apparent initial activity and the final conversion. However, in the simulations, the enzyme retains its original structure; moreover, NADES has an additional stabilizing effect on the enzyme. In addition, changes in the molar ratio of the compounds in NADES do not show a significant effect on the stability of the enzyme. These results indicate that the main effect of NADES on the reaction is mainly related to the substrate-solvent interactions (solvation energy) and the viscosity of the system. On the other hand, the experimental results only confirmed the significance of solvation, viscosity did not show a clear correlation with the studied reaction parameters. The machine learning models built for solubility and viscosity gave quantitative predictions of these properties. The accumulated knowledge was used to optimize the yield in the deacetylation reaction of MELs. The combination of these methods provides fundamental knowledge about the effect of NADES on biocatalysis, but the results are also applicable to other uses of NADES. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:194886 |
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7276 |
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Author |
De Backer, J. |
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The versatile nature of cytoglobin, the Swiss army knife among globins, with a preference for oxidative stress |
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Doctoral thesis |
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2023 |
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XVIII, 232 p. |
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Doctoral thesis; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Proteinscience, proteomics and epigenetic signaling (PPES) |
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Since its discovery 20 years ago, many studies have been performed to gain insight into the functional role of cytoglobin (Cygb). However, Cygb has been proven to be a promiscuous protein. Yet, there is a consensus that Cygb is a cytoprotective protein involved in redox homeostasis. CYGB is a ubiquitously expressed hexacoordinated globin that is highly expressed in melanocytes and is often found to be downregulated during melanocyte-to-melanoma transition. In Chapter III, we investigated the molecular mechanism through which CYGB could be involved in redox regulation. Here, we showed that CYGB contains two redox-sensitive cysteine residues and that the formation of an intramolecular disulfide bridge resulted in the heme group becoming more accessible to external ligands. This supports the hypothesis that Cys38 and Cys83 serve as sensitive redox sensors. In Chapter IV we showed that CYGB mRNA and protein levels were elevated upon exposure to hypoxia. Interestingly, this upregulation was most likely HIF-2α-dependent. We propose that in melanoma, HIF-2α, rather than HIF-1α, positively regulates CYGB under hypoxic conditions in a cell type specific way. In Chapter V, the cytotoxic effect of indirect NTP treatment in two melanoma cell lines with divergent endogenous CYGB expression levels was investigated. We confirmed that NTP endows cytotoxicity that induces cell death through apoptosis and that this was mediated through the production of ROS. Moreover, we showed that CYGB protects melanoma cells from ROS-induced apoptosis by the scavenging of ROS. Interestingly, CYGB expression influenced the expression of NRF2 and HO-1. We identified the lncRNA MEG3 as a possible mechanism through which NRF2 expression and its downstream target HO-1 can be regulated by CYGB. In chapter VI, increased basal ROS levels and higher degree of lipid peroxidation upon RSL3 treatment contributed to the increased sensitivity of CYGB knockdown G361 cells to ferroptosis. Furthermore, transcriptome analysis demonstrates the enrichment of multiple cancer malignancy pathways upon CYGB knockdown, supporting a tumor-suppressive role for CYGB. Remarkably, CYGB expression regulation was identified as a critical determinant of the ferroptosis–pyroptosis therapy response. This suggests that CYGB is involved in the regulation of multiple modes of programmed cell death. FInally, we sought to delineate the RONS that are responsible for plasma-induced ICD. Our results highlight the importance of the short-lived species. Furthermore, we are first to demonstrate that NTP-created vaccine is safely prepared and offers complete protection. Moreover, we provide conclusive evidence that direct application of NTP induces ICD in melanoma. |
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Most recent IF: NA |
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UA @ admin @ c:irua:193568 |
Serial |
7277 |
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