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Author Mosquera, J.; Wang, D.; Bals, S.; Liz-Marzan, L.M.
  Title Surfactant layers on gold nanorods Type A1 Journal article
  Year 2023 Publication Accounts of chemical research Abbreviated Journal
  Volume 56 Issue 10 Pages 1204-1212
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000986447000001 Publication Date (down) 2023-05-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0001-4842 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 18.3 Times cited 8 Open Access OpenAccess
  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
  Call Number UA @ admin @ c:irua:196768 Serial 8940
Permanent link to this record
 

 
Author Kumar, M.; Sengupta, A.; Kummamuru, N.B.
  Title Molecular simulations for carbon dioxide capture in silica slit pores Type A3 Journal article
  Year 2023 Publication Materials Today: Proceedings Abbreviated Journal
  Volume Issue Pages 1-9
  Keywords A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date (down) 2023-05-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2214-7853 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:200944 Serial 9058
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Author Shevchenko, V.A.; Glazkova, I.S.; Novichkov, D.A.; Skvortsova, I.; V. Sobolev, A.; Abakumov, A.M.; Presniakov, I.A.; Drozhzhin, O.A.; V. Antipov, E.
  Title Competition between the Ni and Fe redox in the O3-NaNi1/3Fe1/3Mn1/3O2 cathode material for Na-ion batteries Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal
  Volume 35 Issue 10 Pages 4015-4025
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Sodium-ion batteries are attracting great attention due to their low cost and abundance of sodium. The O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxide material is a promising candidate for positive electrodes (cathodes) in Na-ion batteries. However, its stable electrochemical performance is restricted by the upper voltage limit of 4.0 V (vs Na/Na+), which allows for reversibly removing 0.5-0.55 Na+ per formula unit, corresponding to the capacity of 120-130 mAh.g(-1). Further reduction of sodium content inevitably accelerates capacity degradation, and this issue calls for a detailed study of the redox reactions that accompany the electrochemical (de)intercalation of a large amount of sodium. Here, we present operando and ex situ studies using powder X-ray diffraction and X-ray absorption spectroscopy combined with Fe-57 Mossbauer spectroscopy. Our approach reveals the sequence of the redox transitions that occur during the charge and discharge of O3-NaNi1/3Fe1/3Mn1/3O2. Our data show that in addition to nickel and iron cations oxidizing to M+4, a part of iron transforms into the “3 + delta” state owing to the fast electron exchange Fe3+ + Fe4+ <-> Fe4+ + Fe3+. This process freezes upon cooling the material to 35 K, producing Fe4+ cations, some of which occupy tetrahedral positions.
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  Language Wos 000985970200001 Publication Date (down) 2023-05-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.6 Times cited Open Access
  Notes Approved Most recent IF: 8.6; 2023 IF: 9.466
  Call Number UA @ admin @ c:irua:197352 Serial 9013
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Author Bekaert, J.; Bringmans, L.; Milošević, M.V.
  Title Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems Type A1 Journal article
  Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
  Volume 35 Issue 32 Pages 325602-325610
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations.
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  Corporate Author Thesis
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  Language Wos 000986281900001 Publication Date (down) 2023-05-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
  Impact Factor 2.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
  Call Number UA @ admin @ c:irua:196664 Serial 8875
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Author Truta, F.; Cruz, A.G.; Tertis, M.; Zaleski, C.; Adamu, G.; Allcock, N.S.; Suciu, M.; Stefan, M.-G.; Kiss, B.; Piletska, E.; De Wael, K.; Piletsky, S.A.; Cristea, C.
  Title NanoMIPs-based electrochemical sensors for selective detection of amphetamine Type A1 Journal article
  Year 2023 Publication Microchemical journal Abbreviated Journal
  Volume 191 Issue Pages 108821-10
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract A highly sensitive and portable electrochemical sensor based on molecularly imprinted nanoparticles (nanoMIPs) was developed. NanoMIPs were computationally designed for specific recognition of amphetamine, and then synthetized using solid phase synthesis. NanoMIPs were immobilized onto screen-printed carbon electrodes using a composite film comprising chitosan, nanoMIPs, and graphene oxide.Ferrocenylmethyl methacrylate was incorporated in nanoMIPs allowing electrochemical detection. The signal recorded for the electrochemical oxidation of ferrocene has proven to be dependent on the presence of amphetamine interacting with nanMIPs. The sensor was tested successfully with street samples, with high sensitivity and satisfactory recoveries (from 100.9% to 107.6%). These results were validated with UPL-MS/MS. The present technology is suitable for forensic applications in selective determination of amphetamine in street samples.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001008428600001 Publication Date (down) 2023-05-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.8 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.8; 2023 IF: 3.034
  Call Number UA @ admin @ c:irua:197397 Serial 8903
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Author Johnson, G.; Yang, M.Y.; Liu, C.; Zhou, H.; Zuo, X.; Dickie, D.A.; Wang, S.; Gao, W.; Anaclet, B.; Perras, F.A.; Ma, F.; Zeng, C.; Wang, D.; Bals, S.; Dai, S.; Xu, Z.; Liu, G.; Goddard III, W.A.; Zhang, S.
  Title Nanocluster superstructures assembled via surface ligand switching at high temperature Type A1 Journal article
  Year 2023 Publication Nature synthesis Abbreviated Journal
  Volume 2 Issue 9 Pages 828-837
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Superstructures with nanoscale building blocks, when coupled with precise control of the constituent units, open opportunities in rationally designing and manufacturing desired functional materials. Yet, synthetic strategies for the large-scale production of superstructures are scarce. We report a scalable and generalized approach to synthesizing superstructures assembled from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters alongside a detailed description of the self-assembly mechanism. Combining operando small-angle X-ray scattering, ex situ molecular and structural characterizations, and molecular dynamics simulations indicates that a high-temperature ligand-switching mechanism, from oleate to benzoate, governs the formation of the nanocluster assembly. The chemical tuning of surface ligands controls superstructure disassembly and reassembly, and furthermore, enables the synthesis of multicomponent superstructures. This synthetic approach, and the accurate mechanistic understanding, are promising for the preparation of superstructures for use in electronics, plasmonics, magnetics and catalysis. Synthesizing superstructures with precisely controlled nanoscale building blocks is challenging. Here the assembly of superstructures is reported from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters and their multicomponent combinations. A high-temperature ligand-switching mechanism controls the self-assembly.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001124824000001 Publication Date (down) 2023-05-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 2 Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:202180 Serial 9060
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Author Shi, P.; Chen, L.; Quinn, B.K.; Yu, K.; Miao, Q.; Guo, X.; Lian, M.; Gielis, J.; Niklas, K.J.
  Title A simple way to calculate the volume and surface area of avian eggs Type A1 Journal article
  Year 2023 Publication Annals of the New York Academy of Sciences Abbreviated Journal
  Volume 1524 Issue 1 Pages 118-131
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Egg geometry can be described using Preston's equation, which has seldom been used to calculate egg volume (V) and surface area (S) to explore S versus V scaling relationships. Herein, we provide an explicit re-expression of Preston's equation (designated as EPE) to calculate V and S, assuming that an egg is a solid of revolution. The side (longitudinal) profiles of 2221 eggs of six avian species were digitized, and the EPE was used to describe each egg profile. The volumes of 486 eggs from two avian species predicted by the EPE were compared with those obtained using water displacement in graduated cylinders. There was no significant difference in V using the two methods, which verified the utility of the EPE and the hypothesis that eggs are solids of revolution. The data also indicated that V is proportional to the product of egg length (L) and maximum width (W) squared. A 2/3-power scaling relationship between S and V for each species was observed, that is, S is proportional to (LW2)(2/3). These results can be extended to describe the shapes of the eggs of other species to study the evolution of avian (and perhaps reptilian) eggs.
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  Corporate Author Thesis
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  Language Wos 000975679400001 Publication Date (down) 2023-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0077-8923; 1749-6632 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.2 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 5.2; 2023 IF: 4.706
  Call Number UA @ admin @ c:irua:196724 Serial 8827
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Author Foltyn, M.; Norowski, K.; Wyszynski, M.J.; De Arruda, A.S.; Milošević, M.V.; Zgirski, M.
  Title Probing confined vortices with a superconducting nanobridge Type A1 Journal article
  Year 2023 Publication Physical review applied Abbreviated Journal
  Volume 19 Issue 4 Pages 044073-12
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We realize a superconducting nanodevice in which vortex traps in the form of an aluminum square are integrated with a Dayem nanobridge. We perform field cooling of the traps arriving to different vortex configurations, dependent on the applied magnetic field, to demonstrate that the switching current of the bridge is highly sensitive to the presence and location of vortices in the trap. Our measurements exhibit unprecedented precision and ability to detect the first and successive vortex entries into all fabricated traps, from few hundred nm to 2 mu m in size. The experimental results are corroborated by Ginzburg-Landau simulations, which reveal the subtle yet crucial changes in the density of the superconducting condensate in the vicinity of the bridge with every additional vortex entry and relocation inside the trap. An ease of integration and simplicity make our design a convenient platform for studying dynamics of vortices in strongly confining geometries, involving a promise to manipulate vortex states electronically with simultaneous in situ control and monitoring.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000980861100007 Publication Date (down) 2023-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record
  Impact Factor 4.6 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.6; 2023 IF: 4.808
  Call Number UA @ admin @ c:irua:197356 Serial 8918
Permanent link to this record
 

 
Author Vingerhoets, R.; Spiller, M.; De Backer, J.; Adriaens, A.; Vlaeminck, S.E.; Meers, E.
  Title Detailed nitrogen and phosphorus flow analysis, nutrient use efficiency and circularity in the agri-food system of a livestock-intensive region Type A1 Journal article
  Year 2023 Publication Journal of cleaner production Abbreviated Journal
  Volume 410 Issue Pages 137278-13
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract The agri-food value chain is a major cause of nitrogen (N) and phosphorus (P) emissions and associated environmental and health impacts. The EU's farm-to-fork strategy (F2F) demands an agri-food value chain approach to reduce nutrient emissions by 50% and fertilizer use by 20%. Substance flow analysis (SFA) is a method that can be applied to study complex systems such as the agri-food chain. A review of 60 SFA studies shows that they often lack detail by not sufficiently distinguishing between nodes, products and types of emissions. The present study aims to assess the added value of detail in SFAs and to illustrate that valuable indicators can be derived from detailed assessments. This aim will be attained by presenting a highly-detailed SFA for the livestock-intensive region of Flanders, Belgium. The SFA distinguishes 40 nodes and 1827 flows that are classified into eight different categories (e.g. by-products, point source emissions) following life cycle methods. Eight novel indicators were calculated, including indicators that assess the N and P recovery potential. Flanders has a low overall nutrient use efficiency (11% N, 18% P). About 55% of the N and 56% of the P embedded in recoverable streams are reused providing 35% and 37% of the total N and P input. Optimized nutrient recycling could replace 45% of N and 48% of P of the external nutrient input, exceeding the target set by the F2F strategy. Detailed accounting for N and P flows and nodes leads to the identification of more recoverable streams and larger N and P flows. More detailed flow accounting is a prerequisite for the quantification of technological intervention options. Future research should focus on including concentration and quality as a parameter in SFAs.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000991013600001 Publication Date (down) 2023-04-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 11.1; 2023 IF: 5.715
  Call Number UA @ admin @ c:irua:196227 Serial 7770
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Author Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr.
  Title Atomic level mechanisms of graphene healing by methane-based plasma radicals Type A1 Journal article
  Year 2023 Publication FlatChem Abbreviated Journal FlatChem
  Volume 39 Issue Pages 100506
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000990342500001 Publication Date (down) 2023-04-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2452-2627 ISBN Additional Links UA library record; WoS full record
  Impact Factor 6.2 Times cited Open Access OpenAccess
  Notes U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. Approved Most recent IF: 6.2; 2023 IF: NA
  Call Number PLASMANT @ plasmant @c:irua:197442 Serial 8813
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Author Kocabas, T.; Keceli, M.; Vazquez-Mayagoitia, A.; Sevik, C.
  Title Gaussian approximation potentials for accurate thermal properties of two-dimensional materials Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal
  Volume 15 Issue 19 Pages 8772-8780
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Two-dimensional materials (2DMs) continue to attract a lot of attention, particularly for their extreme flexibility and superior thermal properties. Molecular dynamics simulations are among the most powerful methods for computing these properties, but their reliability depends on the accuracy of interatomic interactions. While first principles approaches provide the most accurate description of interatomic forces, they are computationally expensive. In contrast, classical force fields are computationally efficient, but have limited accuracy in interatomic force description. Machine learning interatomic potentials, such as Gaussian Approximation Potentials, trained on density functional theory (DFT) calculations offer a compromise by providing both accurate estimation and computational efficiency. In this work, we present a systematic procedure to develop Gaussian approximation potentials for selected 2DMs, graphene, buckled silicene, and h-XN (X = B, Al, and Ga, as binary compounds) structures. We validate our approach through calculations that require various levels of accuracy in interatomic interactions. The calculated phonon dispersion curves and lattice thermal conductivity, obtained through harmonic and anharmonic force constants (including fourth order) are in excellent agreement with DFT results. HIPHIVE calculations, in which the generated GAP potentials were used to compute higher-order force constants instead of DFT, demonstrated the first-principles level accuracy of the potentials for interatomic force description. Molecular dynamics simulations based on phonon density of states calculations, which agree closely with DFT-based calculations, also show the success of the generated potentials in high-temperature simulations.
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  Corporate Author Thesis
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  Language Wos 000976615200001 Publication Date (down) 2023-04-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.7 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.7; 2023 IF: 7.367
  Call Number UA @ admin @ c:irua:196722 Serial 8873
Permanent link to this record
 

 
Author Detamornrat, U.; Parrilla, M.; Domínguez-Robles, J.; Anjani, Q.K.; Larrañeta, E.; De Wael, K.; Donnelly, R.F.
  Title Transdermal on-demand drug delivery based on an iontophoretic hollow microneedle array system Type A1 Journal article
  Year 2023 Publication Lab on a chip Abbreviated Journal
  Volume 23 Issue 9 Pages 2304-2315
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Transdermal drug delivery has emerged as an alternative administration route for therapeutic drugs, overcoming current issues in oral and parenteral administration. However, this technology is hindered by the low permeability of the stratum corneum of the skin. In this work, we develop a synergic combination of two enhancing technologies to contribute to an improved and on-demand drug delivery through an iontophoretic system coupled with hollow microneedles (HMNs). For the first time, a polymeric HMN array coupled with integrated iontophoresis for the delivery of charged molecules and macromolecules (e.g. proteins) is devised. To prove the concept, methylene blue, fluorescein sodium, lidocaine hydrochloride, and bovine serum albumin-fluorescein isothiocyanate conjugate (BSA-FITC) were first tested in an in vitro setup using 1.5% agarose gel model. Subsequently, the ex vivo drug permeation study using a Franz diffusion cell was conducted, exhibiting a 61-fold, 43-fold, 54-fold, and 17-fold increment of the permeation of methylene blue, fluorescein sodium, lidocaine hydrochloride, and BSA-FITC, respectively, during the application of 1 mA cm(-2) current for 6 h. Moreover, the total amount of drug delivered (i.e. in the skin and receptor compartment) was analysed to untangle the different delivery profiles according to the types of molecule. Finally, the integration of the anode and cathode into an iontophoretic hollow microneedle array system (IHMAS) offers the full miniaturisation of the concept. Overall, the IHMAS device provides a versatile wearable technology for transdermal on-demand drug delivery that can improve the administration of personalised doses, and potentially enhance precision medicine.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000971513000001 Publication Date (down) 2023-04-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1473-0197 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.1 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 6.1; 2023 IF: 6.045
  Call Number UA @ admin @ c:irua:195781 Serial 8946
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Author Broers, F.T.H.; Janssens, K.; Weker, J.N.; Webb, S.M.; Mehta, A.; Meirer, F.; Keune, K.
  Title Two pathways for the degradation of orpiment pigment (As₂S₃) found in paintings Type A1 Journal article
  Year 2023 Publication Journal of the American Chemical Society Abbreviated Journal
  Volume 145 Issue 16 Pages 8847-8859
  Keywords A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)
  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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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000974346900001 Publication Date (down) 2023-04-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 15 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 15; 2023 IF: 13.858
  Call Number UA @ admin @ c:irua:196762 Serial 8948
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Author Linard, F.J.A.; Moura, V.N.; Covaci, L.; Milošević, M.V.; Chaves, A.
  Title Wave-packet scattering at a normal-superconductor interface in two-dimensional materials : a generalized theoretical approach Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal
  Volume 107 Issue 16 Pages 165306-165309
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract A wave-packet time evolution method, based on the split-operator technique, is developed to investigate the scattering of quasiparticles at a normal-superconductor interface of arbitrary profile and shape. As a practical application, we consider a system where low-energy electrons can be described as Dirac particles, which is the case for most two-dimensional materials, such as graphene and transition-metal dichalcogenides. However, the method is easily adapted for other cases such as electrons in few-layer black phosphorus or any Schrodinger quasiparticles within the effective mass approximation in semiconductors. We employ the method to revisit Andreev reflection in mono-, bi-, and trilayer graphene, where specular-and retro-reflection cases are observed for electrons scattered by a steplike superconducting region. The effect of opening a zero-gap channel across the superconducting region on the electron and hole scattering is also addressed, as an example of the versatility of the technique proposed here.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000974675700006 Publication Date (down) 2023-04-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
  Call Number UA @ admin @ c:irua:196709 Serial 8954
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Author Tampieri, F.; Espona-Noguera, A.; Labay, C.; Ginebra, M.-P.; Yusupov, M.; Bogaerts, A.; Canal, C.
  Title Does non-thermal plasma modify biopolymers in solution? A chemical and mechanistic study for alginate Type A1 Journal Article
  Year 2023 Publication Biomaterials Science Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
  Abstract In the last decades, non-thermal plasma has been extensively investigated as a relevant tool for various biomedical applications, ranging from tissue decontamination to regeneration and from skin treatment to tumor therapies. This high versatility is due to the different kinds and amount of reactive oxygen and nitrogen species that can be generated during a plasma treatment and put in contact with the biological target. Some recent studies report that solutions of biopolymers with the ability to generate hydrogels, when treated with plasma, can enhance the generation of reactive species and influence their stability, resulting thus in the ideal media for indirect treatments of biological targets. The direct effects of the plasma treatment on the structure of biopolymers in water solution, as well as the chemical mechanisms responsible for the enhanced generation of RONS, are not yet fully understood. In this study, we aim at filling this gap by investigating, on the one hand, the nature and extent of the modifications induced by plasma treatment in alginate solutions, and, on the other hand, at using this information to explain the mechanisms responsible for the enhanced generation of reactive species as a consequence of the treatment. The approach we use is twofold: (i) investigating the effects of plasma treatment on alginate solutions, by size exclusion chromatography, rheology and scanning electron microscopy and (ii) study of a molecular model (glucuronate) sharing its chemical structure, by chromatography coupled with mass spectrometry and by molecular dynamics simulations. Our results point out the active role of the biopolymer chemistry during direct plasma treatment. Short-lived reactive species, such as OH radicals and O atoms, can modify the polymer structure, affecting its functional groups and causing partial fragmentation. Some of these chemical modifications, like the generation of organic peroxide, are likely responsible for the secondary generation of long-lived reactive species such as hydrogen peroxide and nitrite ions. This is relevant in view of using biocompatible hydrogels as vehicles for storage and delivery reactive species for targeted therapies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000973699000001 Publication Date (down) 2023-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2047-4830 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.6 Times cited Open Access Not_Open_Access
  Notes Agència de Gestió d’Ajuts Universitaris i de Recerca, SGR2022-1368 ; H2020 European Research Council, 714793 ; European Cooperation in Science and Technology, CA19110 CA20114 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, PID2019-103892RB-I00/AEI/10.13039/501100011033 ; We thank Gonzalo Rodríguez Cañada and Xavier Solé-Martí (Universitat Politècnica de Catalunya) for help in collecting some of the experimental data and for the useful discussions. This work has been primarily funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 714793). The authors acknowledge MINECO for PID2019103892RB-I00/AEI/10.13039/501100011033 project (CC). The authors belong to SGR2022-1368 (FT, AEN, CL, MPG, CC) and acknowledge Generalitat de Catalunya for the ICREA Academia Award for Excellence in Research of CC. We thank also COST Actions CA20114 (Therapeutical Applications of Cold Plasmas) and CA19110 (Plasma Applications for Smart and Sustainable Agriculture) for the stimulating environment provided. Approved Most recent IF: 6.6; 2023 IF: 4.21
  Call Number PLASMANT @ plasmant @c:irua:196773 Serial 8794
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Author Sevik, C.; Bekaert, J.; Milošević, M.V.
  Title Superconductivity in functionalized niobium-carbide MXenes Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal
  Volume 15 Issue 19 Pages 8792-8799
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We detail the effects of Cl and S functionalization on the superconducting properties of layered (bulk) and monolayer niobium carbide (Nb2C) MXene crystals, based on first-principles calculations combined with Eliashberg theory. For bulk layered Nb2CCl2, the calculated superconducting transition temperature (T-c) is in very good agreement with the recently measured value of 6 K. We show that T-c is enhanced to 10 K for monolayer Nb2CCl2, due to an increase in the density of states at the Fermi level, and the corresponding electron-phonon coupling. We further demonstrate feasible gate- and strain-induced enhancements of T-c for both bulk-layered and monolayer Nb2CCl2 crystals, resulting in T-c values of around 38 K. In the S-functionalized Nb2CCl2 crystals, our calculations reveal the importance of phonon softening in understanding their superconducting properties. Finally, we predict that Nb3C2S2 in bulk-layered and monolayer forms is also superconducting, with a T-c of around 28 K. Considering that Nb2C is not superconducting in pristine form, our findings promote functionalization as a pathway towards robust superconductivity in MXenes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000976973900001 Publication Date (down) 2023-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 6.7; 2023 IF: 7.367
  Call Number UA @ admin @ c:irua:196711 Serial 8938
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Author Wang, S.; Tian, H.; Sun, M.
  Title Valley-polarized and enhanced transmission in graphene with a smooth strain profile Type A1 Journal article
  Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
  Volume 35 Issue 30 Pages 304002-304013
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977124700001 Publication Date (down) 2023-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.7 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
  Call Number UA @ admin @ c:irua:196718 Serial 8953
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Author Van Oijstaeijen, W.; Finizola e Silva, M.; Back, P.; Collins, A.; Verheyen, K.; De Beelde, R.; Cools, J.; Van Passel, S.
  Title The Nature Smart Cities business model : a rapid decision-support and scenario analysis tool to reveal the multi-benefits of green infrastructure investments Type Administrative Services
  Year 2023 Publication Urban forestry & urban greening Abbreviated Journal
  Volume 84 Issue Pages 127923-14
  Keywords Administrative Services; A1 Journal article; Art; Engineering Management (ENM)
  Abstract Incorporating natural spaces within urban areas has been shown to have multiple benefits. However, despite greening and adaptation strategies at different levels of government, progress remains slow with a lack of easy to use and comprehensive tools identified as key to overcoming this. This paper presents a co-designed tool with academic and local authority partners to demonstrate the ecosystem service benefits of small-scale urban green infrastructure projects. Through the tool, users can readily assess the impact of green infrastructure investments on the delivery of a selection of ecosystem services in the early stages of a project. Furthermore, the tool provides a standardised assessment of cultural ecosystem services' contributions, as well as offering a method to score spatial designs on the impact on habitat for biodiversity. Use of the tool is demonstrated using a pilot study in Kapelle, the Netherlands. The results set out an overview of the impacts of the spatial design on estimated ecosystem service delivery. They also show the tool's potential to add value in early project stages and as a planning and design tool, helping to maximise the benefits that can be achieved through green infrastructure design. Complementing these arguments with ball-park estimations on green infrastructure costs, the Nature Smart Cities Business Model aims to offer public sector officers the means to create a business case for green infrastructure measures, facilitating the translation from strategies to actual plans, thus benefitting green infrastructure implementation in the public realm.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000982199900001 Publication Date (down) 2023-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1618-8667 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.4 Times cited Open Access
  Notes Approved Most recent IF: 6.4; 2023 IF: 2.113
  Call Number UA @ admin @ c:irua:196748 Serial 9235
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Author Torun, E.; Paleari, F.; Milošević, M.V.; Wirtz, L.; Sevik, C.
  Title Intrinsic control of interlayer exciton generation in Van der Waals materials via Janus layers Type A1 Journal article
  Year 2023 Publication Nano letters Abbreviated Journal
  Volume 23 Issue 8 Pages 3159-3166
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We investigate different MoS2@Janus layer combinations using first-principles methods including excitons and exciton-phonon coupling. The direction of the intrinsic electric field from the Janus layer modifies the electronic band alignments and, consequently, the energy separation between dark interlayer exciton states and bright in-plane excitons. We find that in-plane lattice vibrations strongly couple the two states, so that exciton-phonon scattering may be a viable generation mechanism for interlayer excitons upon light absorption. In particular, in the case of MoS2@WSSe, the energy separation of the low-lying interlayer exciton from the in-plane exciton is resonant with the transverse optical phonon modes (40 meV). We thus identify this heterobilayer as a prime candidate for efficient generation of charge-separated electron-hole pairs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000969732100001 Publication Date (down) 2023-04-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 10.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 10.8; 2023 IF: 12.712
  Call Number UA @ admin @ c:irua:196034 Serial 8118
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Author Monico, L.; d'Acapito, F.; Cotte, M.; Janssens, K.; Romani, A.; Ricci, G.; Miliani, C.; Cartechini, L.
  Title Total electron yield (TEY) detection mode Cr K-edge XANES spectroscopy as a direct method to probe the composition of the surface of darkened chrome yellow (PbCr1-xSxO4) and potassium chromate paints Type A1 Journal article
  Year 2023 Publication Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms Abbreviated Journal
  Volume 539 Issue Pages 141-147
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract The darkening of chromate-pigments, including chrome yellows (PbCr1-xSxO4), is a surface phenomenon affecting late 19th-early 20th c. paintings, such as those by Van Gogh. Exploring analytical strategies that contribute to a deep understanding of darkening is therefore significant for the long-term conservation of unique masterpieces. Here, we examined the capabilities of Cr K-edge XANES spectroscopy collected at the same time in X-ray fluorescence yield (XFY) and total electron yield (TEY) detection modes to selectively study the surface composition of darkened oil paint mock-ups composed of chrome yellow (PbCr0.2S0.8O4) or potassium chromate. By discussing advantages and drawbacks in using XFY/TEY modes in relation to XFY & mu;-XANES analysis from sectioned samples, we aim at assessing if TEY-XANES spectroscopy: (i) is a selective surface method to determine the abundance of different Cr-species from paint fragments; (ii) can contribute to optimize the analytical strategy by limiting time consuming sample preparation procedures; (iii) can decrease the probability of radiation damage.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001041485400001 Publication Date (down) 2023-04-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0168-583x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.3 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 1.3; 2023 IF: 1.109
  Call Number UA @ admin @ c:irua:198427 Serial 8944
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Author de la Encarnación, C.; Jungwirth, F.; Vila-Liarte, D.; Renero-Lecuna, C.; Kavak, S.; Orue, I.; Wilhelm, C.; Bals, S.; Henriksen-Lacey, M.; Jimenez de Aberasturi, D.; Liz-Marzán, L.M.
  Title Hybrid core–shell nanoparticles for cell-specific magnetic separation and photothermal heating Type A1 Journal article
  Year 2023 Publication Journal of materials chemistry B : materials for biology and medicine Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Hyperthermia, as the process of heating a malignant site above 42 °C to trigger cell death, has emerged as an effective and selective cancer therapy strategy. Various modalities of hyperthermia have been proposed, among which magnetic and photothermal hyperthermia are known to benefit from the use of nanomaterials. In this context, we introduce herein a hybrid colloidal nanostructure comprising plasmonic gold nanorods (AuNRs) covered by a silica shell, onto which iron oxide nanoparticles (IONPs) are subsequently grown. The resulting hybrid nanostructures are responsive to both external magnetic fields and near-infrared irradiation. As a result, they can be applied for the targeted magnetic separation of selected cell populations – upon targeting by antibody functionalization – as well as for photothermal heating. Through this combined functionality, the therapeutic effect of photothermal heating can be enhanced. We demonstrate both the fabrication of the hybrid system and its application for targeted photothermal hyperthermia of human glioblastoma cells.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000968908400001 Publication Date (down) 2023-04-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-750X ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7 Times cited 1 Open Access OpenAccess
  Notes Ministerio de Ciencia e Innovación, PID2019-108854RA-I00 ; H2020 European Research Council, ERC AdG 787510, 4DBIOSERS ERC CoG 815128, REALNANO ; Fonds Wetenschappelijk Onderzoek, PhD research grant 1181122N ; Approved Most recent IF: 7; 2023 IF: 4.543
  Call Number EMAT @ emat @c:irua:195879 Serial 7261
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Author Krishnamurthy, S.C.; Arseenko, M.; Kashiwar, A.; Dufour, P.; Marchal, Y.; Delahaye, J.; Idrissi, H.; Pardoen, T.; Mertens, A.; Simar, A.
  Title Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance Type A1 Journal article
  Year 2023 Publication Materials characterization Abbreviated Journal
  Volume 200 Issue Pages 112886-11
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977059100001 Publication Date (down) 2023-04-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.7; 2023 IF: 2.714
  Call Number UA @ admin @ c:irua:195598 Serial 7291
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Author Van Echelpoel, R.; Parrilla, M.; Sleegers, N.; Thiruvottriyur Shanmugam, S.; van Nuijs, A.L.N.; Slosse, A.; Van Durme, F.; De Wael, K.
  Title Validated portable device for the qualitative and quantitative electrochemical detection of MDMA ready for on-site use Type A1 Journal article
  Year 2023 Publication Microchemical journal Abbreviated Journal
  Volume 190 Issue Pages 108693-10
  Keywords A1 Journal article; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Identifying and quantifying 3,4-methyl​enedioxy​methamphetamine (MDMA) on-site in suspected illicit drug samples, whether it be at recreational settings or manufacturing sites, is a major challenge for law enforcement agencies (LEAs). Various analytical techniques exist to fulfil this goal, e.g. colourimetry and portable spectroscopic techniques, each having its specific limitations (e.g. low accuracy, fluorescence, no quantification) and strengths (e.g. fast, easy to use). In this work, for the first time, an electrochemical MDMA sensor is presented to become a detection tool that can realistically be used on-site. More specifically, the use of a single buffer solution and an unmodified screen-printed electrode, along with the integration of a data analysis algorithm and mobile application permits the straightforward on-site identification and quantification of MDMA in suspicious samples. Multiple studies investigating different parameters, including pH, concentration, reproducibility, temperature and binary mixture analyses, were executed. To fully understand all the occurring redox processes, liquid chromatography coupled with high-resolution mass spectrometry analysis of partially electrolyzed MDMA samples was performed unravelling oxidation of the methylenedioxy group. Validation of the methodology was executed on 15 MDMA street samples analysed by gas chromatography coupled with mass spectrometry and compared with the performance of a commercial portable Raman and Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR) device. The novel methodology outperformed the spectroscopic techniques, correctly identifying all 15 street samples. Additionally, the electrochemical sensor predicted the purity of the tablets with a mean absolute error of 2.3%. Overall, this new, electrochemical detection strategy provides LEAs the rapid, low-cost, on-site detection and quantification of MDMA in suspicious samples, without requiring specialized training.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977060400001 Publication Date (down) 2023-03-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.8; 2023 IF: 3.034
  Call Number UA @ admin @ c:irua:195415 Serial 8952
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Author Chen, H.; Xiong, Y.; Li, J.; Abed, J.; Wang, D.; Pedrazo-Tardajos, A.; Cao, Y.; Zhang, Y.; Wang, Y.; Shakouri, M.; Xiao, Q.; Hu, Y.; Bals, S.; Sargent, E.H.H.; Su, C.-Y.; Yang, Z.
  Title Epitaxially grown silicon-based single-atom catalyst for visible-light-driven syngas production Type A1 Journal article
  Year 2023 Publication Nature communications Abbreviated Journal Nat Commun
  Volume 14 Issue 1 Pages 1719-11
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Despite the natural abundance and promising properties of Si, there are few examples of crystalline Si-based catalysts. Here, the authors report an epitaxial growth method to construct Co single atoms on Si for light driven CO2 reduction to syngas. Improving the dispersion of active sites simultaneous with the efficient harvest of photons is a key priority for photocatalysis. Crystalline silicon is abundant on Earth and has a suitable bandgap. However, silicon-based photocatalysts combined with metal elements has proved challenging due to silicon's rigid crystal structure and high formation energy. Here we report a solid-state chemistry that produces crystalline silicon with well-dispersed Co atoms. Isolated Co sites in silicon are obtained through the in-situ formation of CoSi2 intermediate nanodomains that function as seeds, leading to the production of Co-incorporating silicon nanocrystals at the CoSi2/Si epitaxial interface. As a result, cobalt-on-silicon single-atom catalysts achieve an external quantum efficiency of 10% for CO2-to-syngas conversion, with CO and H-2 yields of 4.7 mol g((Co))(-1) and 4.4 mol g((Co))(-1), respectively. Moreover, the H-2/CO ratio is tunable between 0.8 and 2. This photocatalyst also achieves a corresponding turnover number of 2 x 10(4) for visible-light-driven CO2 reduction over 6 h, which is over ten times higher than previously reported single-atom photocatalysts.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000962607600018 Publication Date (down) 2023-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 16.6 Times cited 6 Open Access OpenAccess
  Notes This work was supported by the National Natural Science Foundation of China (21821003, 21890380, 21905316), Guangdong Natural Science Foundation (2019A1515011748), the Science and Technology Planning Project of Guangdong Province (2019A050510018), Pearl River Recruitment Program of Talent (2019QN01C108), the EU Infrastructure Project EUSMI (Grant No. E190700310), and Sun Yat-sen University. D.W. acknowledges an Individual Fellowship funded by the Marie-Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant no. 731019 (EUSMI) and ERC Consolidator grant no. 815128 (REALNANO). This project has received funding from the European Commission Grant (EUSMI E190700310). Synchrotron XAS data described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), the Natural Sciences and Engineering Research Council (NSERC), the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. Approved Most recent IF: 16.6; 2023 IF: 12.124
  Call Number UA @ admin @ c:irua:196062 Serial 7932
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Author Moro, G.; Campos, R.; Daems, E.; Moretto, L.M.; De Wael, K.
  Title Haem-mediated albumin biosensing : towards voltammetric detection of PFOA Type A1 Journal article
  Year 2023 Publication Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry Abbreviated Journal
  Volume 152 Issue Pages 108428-7
  Keywords A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract The haem group is a promising redox probe for the design of albumin-based voltammetric sensors. Among the endogenous ligands carried by human serum albumin (hSA), haem is characterised by a reversible redox behaviour and its binding kinetics strongly depend on hSA’s conformation, which, in turn, depends on the presence of other ligands. In this work, the potential applicability of haem, especially hemin, as a redox probe was first tested in a proof-of-concept study using perfluorooctanoic acid (PFOA) as model analyte. PFOA is known to bind hSA by occupying Sudlow’s I site (FA7) which is spatially related to the haem-binding site (FA1). The latter undergoes a conformational change, which is expected to affect hemin’s binding kinetics. To verify this hypothesis, hemin:albumin complexes in the presence/absence of PFOA were first screened by UV–Vis spectroscopy. Once the complex formation was verified, haem was further characterised via electrochemical methods to estimate its electron transfer kinetics. The hemin:albumin:PFOA system was studied in solution, with the aim of describing the multiple equilibria at stake and designing an electrochemical assay for PFOA monitoring. This latter could be integrated with protein-based bioremediation approaches for the treatment of per- and polyfluoroalkyl substances polluted waters. Overall, our preliminary results show how hemin can be applied as a redox probe in albumin-based voltammetric sensing strategies.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000971630400001 Publication Date (down) 2023-03-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1567-5394 ISBN Additional Links UA library record; WoS full record
  Impact Factor 5 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 5; 2023 IF: 3.346
  Call Number UA @ admin @ c:irua:195069 Serial 8876
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Author van der Sluijs, M.M.; Salzmann, B.B.V.; Arenas Esteban, D.; Li, C.; Jannis, D.; Brafine, L.C.; Laning, T.D.; Reinders, J.W.C.; Hijmans, N.S.A.; Moes, J.R.; Verbeeck, J.; Bals, S.; Vanmaekelbergh, D.
  Title Study of the Mechanism and Increasing Crystallinity in the Self-Templated Growth of Ultrathin PbS Nanosheets Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal
  Volume Issue Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Colloidal 2D semiconductor nanocrystals, the analogue of solid-state quantum wells, have attracted strong interest in material science and physics. Molar quantities of suspended quantum objects with spectrally pure absorption and emission can be synthesized. For the visible region, CdSe nanoplatelets with atomically precise thickness and tailorable emission have been (almost) perfected. For the near-infrared region, PbS nanosheets (NSs) hold strong promise, but the photoluminescence quantum yield is low and many questions on the crystallinity, atomic structure, intriguing rectangular shape, and formation mechanism remain to be answered. Here, we report on a detailed investigation of the PbS NSs prepared with a lead thiocyanate single source precursor. Atomically resolved HAADF-STEM imaging reveals the presence of defects and small cubic domains in the deformed orthorhombic PbS crystal lattice. Moreover, variations in thickness are observed in the NSs, but only in steps of 2 PbS monolayers. To study the reaction mechanism, a synthesis at a lower temperature allowed for the study of reaction intermediates. Specifically, we studied the evolution of pseudo-crystalline templates towards mature, crystalline PbS NSs. We propose a self-induced templating mechanism based on an oleylamine-lead-thiocyanate (OLAM-Pb-SCN) complex with two Pb-SCN units as a building block; the interactions between the long-chain ligands regulate the crystal structure and possibly the lateral dimensions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000959572100001 Publication Date (down) 2023-03-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.6 Times cited 2 Open Access OpenAccess
  Notes H2020 Research Infrastructures, 731019 ; H2020 European Research Council, 692691 815128 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 715.016.002 ; Approved Most recent IF: 8.6; 2023 IF: 9.466
  Call Number EMAT @ emat @c:irua:195894 Serial 7255
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Author Hillen, M.; Sels, S.; Ribbens, B.; Verspeek, S.; Janssens, K.; Van der Snickt, G.; Steenackers, G.
  Title Qualitative Comparison of Lock-in Thermography (LIT) and Pulse Phase Thermography (PPT) in Mid-Wave and Long-Wave Infrared for the Inspection of Paintings Type A1 Journal article
  Year 2023 Publication Applied Sciences Abbreviated Journal Appl Sci-Basel
  Volume 13 Issue 7 Pages 1-13
  Keywords A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
  Abstract When studying paintings with active infrared thermography (IRT), minimizing the temperature fluctuations and thermal shock during a measurement becomes important. Under these conditions, it might be beneficial to use lock-in thermography instead of the conventionally used pulse thermography (PT). This study compared the observations made with lock-in thermography (LIT) and pulse phase thermography (PPT) with halogen light excitation. Three distinctly different paintings were examined. The LIT measurements caused smaller temperature fluctuations and, overall, the phase images appeared to have a higher contrast and less noise. However, in the PPT phase images, the upper paint layer was less visible, an aspect which is of particular interest when trying to observe subsurface defects or the structure of the support. The influence of the spectral range of the cameras on the results was also investigated. All measurements were taken with a mid-wave infrared (MWIR) and long wave infrared (LWIR) camera. The results show that there is a significant number of direct reflection artifacts, caused by the use of the halogen light sources when using the MWIR camera. Adding a long-pass filter to the MWIR camera eliminated most of these artifacts. All results are presented in a side-by-side comparison.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000972133900001 Publication Date (down) 2023-03-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.7 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 2.7; 2023 IF: 1.679
  Call Number UA @ admin @ c:irua:194898 Serial 7333
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Author Sahun, M.; Privat-Maldonado, A.; Lin, A.; De Roeck, N.; Van de Heyden, L.; Hillen, M.; Michiels, J.; Steenackers, G.; Smits, E.; Ariën, K.K.; Jorens, P.G.; Delputte, P.; Bogaerts, A.
  Title Inactivation of SARS-CoV-2 and other enveloped and non-enveloped viruses with non-thermal plasma for hospital disinfection Type A1 Journal article
  Year 2023 Publication ACS Sustainable Chemistry and Engineering Abbreviated Journal
  Volume Issue Pages 1-10
  Keywords A1 Journal article; Engineering sciences. Technology; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory Experimental Medicine and Pediatrics (LEMP)
  Abstract As recently highlighted by the SARS-CoV-2 pandemic, viruses have become an increasing burden for health, global economy, and environment. The control of transmission by contact with contaminated materials represents a major challenge, particularly in hospital environments. However, the current disinfection methods in hospital settings suffer from numerous drawbacks. As a result, several medical supplies that cannot be properly disinfected are not reused, leading to severe shortages and increasing amounts of waste, thus prompting the search for alternative solutions. In this work, we report that non-thermal plasma (NTP) can effectively inactivate SARS-CoV-2 from non-porous and porous materials commonly found in healthcare facilities. We demonstrated that 5 min treatment with a dielectric barrier discharge NTP can inactivate 100% of SARS-CoV-2 (Wuhan and Omicron strains) from plastic material. Using porcine respiratory coronavirus (surrogate for SARS-CoV-2) and coxsackievirus B3 (highly resistant non-enveloped virus), we tested the NTP virucidal activity on hospital materials and obtained complete inactivation after 5 and 10 min, respectively. We hypothesize that the produced reactive species and local acidification contribute to the overall virucidal effect of NTP. Our results demonstrate the potential of dielectric barrier discharge NTPs for the rapid, efficient, and low-cost disinfection of healthcare materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000964269500001 Publication Date (down) 2023-03-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2168-0485 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.4 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 8.4; 2023 IF: 5.951
  Call Number UA @ admin @ c:irua:194897 Serial 7269
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Author Marchetti, A.; Gori, A.; Ferretti, A.M.; Esteban, D.A.; Bals, S.; Pigliacelli, C.; Metrangolo, P.
  Title Templated Out‐of‐Equilibrium Self‐Assembly of Branched Au Nanoshells (Small 12/2023) Type A1 Journal Article
  Year 2023 Publication Small Abbreviated Journal Small
  Volume 19 Issue 12 Pages
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract Out-of-equilibrium self-assembly of metal nanoparticles (NPs) has been devised using different

types of strategies and fuels, but the achievement of finite 3D structures with a controlled

morphology through this assembly mode is still rare. Here we used a spherical peptide-gold

superstructure (PAuSS) as a template to control the out-of-equilibrium self-assembly of Au NPs,

obtaining a transient 3D branched Au-nanoshell (BAuNS) stabilized by sodium dodecyl sulphate

(SDS). The BAuNS dismantled upon concentration gradient equilibration over time in the solution,

leading to NPs disassembly. Notably, BAuNS assembly and disassembly favoured temporary

interparticle plasmonic coupling, leading to a remarkable oscillation of their optical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date (down) 2023-03-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1613-6810 ISBN Additional Links UA library record
  Impact Factor 13.3 Times cited Open Access Not_Open_Access
  Notes P.M. is grateful to the European Research Council (ERC) for the Starting Grant ERC-2012- StG_20111012 FOLDHALO (Grant Agreement no. 307108) and the Proof-of-Concept Grant ERC-2017-PoC MINIRES (Grant Agreement no.789815). A. M. and P. M. are thankful to the project Hydrogex funded by Cariplo Foundation (grant no. 2018-1720). D.A.E. and S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO and Grant Agreement No. 731019 (EUSMI). Approved Most recent IF: 13.3; 2023 IF: 8.643
  Call Number EMAT @ emat @c:irua:200859 Serial 8960
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Author Jain, N.; Hao, Y.; Parekh, U.; Kaltenegger, M.; Pedrazo-Tardajos, A.; Lazzaroni, R.; Resel, R.; Geerts, Y.H.; Bals, S.; Van Aert, S.
  Title Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals Type A1 Journal article
  Year 2023 Publication Micron Abbreviated Journal
  Volume 169 Issue Pages 103444
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000965998800001 Publication Date (down) 2023-03-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0968-4328 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.4 Times cited 1 Open Access OpenAccess
  Notes This work is supported by FWO and FNRS within the 2Dto3D network of the EOS (Excellence of Science) program (grant number 30489208) and ERC-CoGREALNANO-815128 (to Prof. Dr. Sara Bals). N.J. would like to thank Dr. Kunal S. Mali and Dr. Da Wang for useful and interesting discussions on sample preparation procedures. Approved Most recent IF: 2.4; 2023 IF: 1.98
  Call Number EMAT @ emat @c:irua:196069 Serial 7379
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