|
“Quantum-confined magneto-Stark effect in diluted magnetic semiconductor coupled quantum wells”. Chang K, Xia JB, Wu HB, Feng SL, Peeters FM, Applied physics letters 80, 1788 (2002). http://doi.org/10.1063/1.1459491
Abstract: The magneto-Stark effect in a diluted magnetic semiconductor (DMS) coupled quantum well (CQW) induced by an in-plane magnetic field is investigate theoretically. Unlike the usual electro-Stark effects, in a DMS CQW the Lorenz force leads to a spatially separated exciton. The in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center of mass (CM)/momentum to a finite CM momentum, and render the ground state of magnetoexciton stable against radiative recombination due to momentum conservation. (C) 2002 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 8
DOI: 10.1063/1.1459491
|
|
|
“Quantum-size effects and thermal response of anti-Kramer-Pesch vortex core”. Chen Y, Hong-Yu W, Peeters FM, Shanenko AA, Journal of physics : condensed matter 27, 125701 (2015). http://doi.org/10.1088/0953-8984/27/12/125701
Abstract: Since the 1960's it has been well known that the basic superconductive quantities can exhibit oscillations as functions of the thickness (diameter) in superconducting nanofilms (nanowires) due to the size quantization of the electronic spectrum. However, very little is known about the effects of quantum confinement on the microscopic properties of vortices. Based on a numerical solution to the Bogoliubov-de Gennes equations, we study the quantum-size oscillations of the vortex core resulting from the sequential interchange of the Kramer-Pesch and anti-Kramer-Pesch regimes with changing nanocylinder radius. The physics behind the anti-Kramer-Pesch anomaly is displayed by utilizing a semi-analytical Anderson approximate solution. We also demonstrate that the anti-Kramer-Pesch vortex core is robust against thermal smearing and results in a distinctive two-maxima structure in the local density of states, which can be used to identify the existence of the anti-Kramer-Pesch vortex.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 4
DOI: 10.1088/0953-8984/27/12/125701
|
|
|
“Quantum-size effects on T-c in superconducting nanofilms”. Shanenko AA, Croitoru MD, Peeters FM, Europhysics letters 76, 498 (2006). http://doi.org/10.1209/epl/i2006-10274-6
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Impact Factor: 1.957
Times cited: 31
DOI: 10.1209/epl/i2006-10274-6
|
|
|
“Quantum-Transport Characteristics of a p-n Junction on Single-Layer TiS3”. Iyikanat F, Senger RT, Peeters FM, Sahin H, ChemPhysChem : a European journal of chemical physics and physical chemistry 17, 3985 (2016). http://doi.org/10.1002/CPHC.201600751
Abstract: By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.075
Times cited: 12
DOI: 10.1002/CPHC.201600751
|
|
|
“Quantum-wire spectroscopy and epitaxial-growth velocities in InxGa1-xAs-InP heterostructures”. Worlock JM, Peeters FM, Cox HM, Morais PC, Physical review : B : condensed matter and materials physics 44, 8923 (1991)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 12
|
|
|
“Quasi 3D modelling of vadose zone soil-water flow for optimizing irrigation strategies : challenges, uncertainties and efficiencies”. Rezaei M, De Pue J, Seuntjens P, Joris I, Cornelis W, Environmental modelling and software 93, 59 (2017). http://doi.org/10.1016/J.ENVSOFT.2017.03.008
Abstract: A quasi 3D modelling approach was developed by integrating a crop growth (LINGRA-N) and a hydrological model (Hydrus-1D) to simulate and visualize water flow, soil-water storage, water stress and crop yield over a heterogeneous sandy field. We assessed computational efficiency and uncertainty with low to high-spatial resolution input factors (soil-hydraulic properties, soil-layer thickness and groundwater level) and evaluated four irrigation scenarios (no, current, optimized and triggered) to find the optimal and cost-effective irrigation scheduling. Numerical results showed that the simulation uncertainty was reduced when using the high-resolution information while a fast performance was maintained. The approach accurately determined the field scale irrigation requirements, taking into account spatial variations of input information. Optimal irrigation scheduling is obtained by triggered-irrigation resulting in saving up to similar to 300% water as compared to the current-irrigation, while yield increased similar to 1%. Overall, the approach can be useful to help decision makers and applicants in precision farming. (C) 2017 Published by Elsevier Ltd.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.ENVSOFT.2017.03.008
|
|
|
“Quasibound states of quantum dots in single and bilayer graphene”. Matulis A, Peeters FM, Physical review : B : condensed matter and materials physics 77, 115423 (2008). http://doi.org/10.1103/PhysRevB.77.115423
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 153
DOI: 10.1103/PhysRevB.77.115423
|
|
|
“Quasibound states of Schrödinger and Dirac electrons in a magnetic quantum dot”. Masir MR, Matulis A, Peeters FM, Physical review : B : solid state 79, 155451 (2009). http://doi.org/10.1103/PhysRevB.79.155451
Abstract: The properties of a two-dimensional electron are investigated in the presence of a circular step magnetic-field profile. Both electrons with parabolic dispersion as well as Dirac electrons with linear dispersion are studied. We found that in such a magnetic quantum dot no electrons can be confined. Nevertheless close to the Landau levels quasibound states can exist with a rather long lifetime.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 55
DOI: 10.1103/PhysRevB.79.155451
|
|
|
“Quasiparticle twist dynamics in non-symmorphic materials”. Juneja R, Thebaud S, Pandey T, Polanco CA, Moseley DH, Manley ME, Cheng YQ, Winn B, Abernathy DL, Hermann RP, Lindsay L, Materials Today Physics 21, 100548 (2021). http://doi.org/10.1016/J.MTPHYS.2021.100548
Abstract: Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1016/J.MTPHYS.2021.100548
|
|
|
“Quench dynamics of an ultracold Fermi gas in the BCS regime : spectral properties and confinement-induced breakdown of the Higgs mode”. Hannibal S, Kettmann P, Croitoru MD, Vagov A, Axt VM, Kuhn T, Physical review : A : atomic, molecular and optical physics 91, 043630 (2015). http://doi.org/10.1103/PhysRevA.91.043630
Abstract: The Higgs amplitude mode of the order parameter of an ultracold confined Fermi gas in the BCS regime after a quench of the coupling constant is analyzed theoretically. A characteristic feature is a damped oscillation which at a certain transition time changes into a rather irregular dynamics. We compare the numerical solution of the full set of nonlinear equations of motion for the normal and anomalous Bogoliubov quasiparticle excitations with a linearized approximation. In doing so the transition time as well as the difference between resonant systems, i.e., systems where the Fermi energy is close to a sub-band minimum, and off-resonant systems can be well understood and traced back to the system and geometry parameters.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.925
Times cited: 10
DOI: 10.1103/PhysRevA.91.043630
|
|
|
“Quenching of the Hall effect in localised high magnetic field regions”. Novoselov KS, Geim AK, Dubonos SV, Cornelissens YG, Peeters FM, Maan JC, Physica. E: Low-dimensional systems and nanostructures 12, 244 (2002). http://doi.org/10.1016/S1386-9477(01)00364-2
Abstract: We report the suppression of the Hall effect in a mesoscopic Hall cross with a strong magnetic field only in the centre and vanishingly small outside, The local magnetic field is produced by placing Dy pillar on top of a structure with a high-mobility two-dimensional electron gas. The effect is found to be due to a sharp increase of the number of back-scattered and quasi-localised electron orbits. The possibility of localising electrons inside the magnetic inhomogeneity region is discussed. (C) 2002 Elsevier Science B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.221
Times cited: 3
DOI: 10.1016/S1386-9477(01)00364-2
|
|
|
“Radial fluctuations induced stabilization of the ordered state in two-dimensional classical clusters”. Schweigert IV, Schweigert VA, Peeters FM, Physical review letters 84, 4381 (2000). http://doi.org/10.1103/PhysRevLett.84.4381
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 69
DOI: 10.1103/PhysRevLett.84.4381
|
|
|
“Radiation damage evaluation on LYSO and LuYAP materials through Dpa calculation assisted by Monte Carlo method”. Piñera I, Abreu Y, van Espen P, Diaz A, Leyva A, Cruz CM, IEEE conference record
T2 –, IEEE Nuclear Science Symposium/Medical Imaging Conference (NSS/MIC)/18th, International Workshop on Room-Temperature Semiconductor X-Ray and, Gamma-Ray Detectors, OCT 23-29, 2011, Valencia, SPAIN , 1609 (2011)
Abstract: The aim of the present work is to study the radiation damage induced in LYSO and LuYAP crystals by the gamma radiation and the secondary electrons/positrons generated. The displacements per atom (dpa) distributions inside each material were calculated following the Monte Carlo assisted Classical Method (MCCM) introduced by the authors. As gamma sources were used Sc-44, Na-22 and V-48. Also the energy of gammas from the annihilation processes (511 keV) was included in the study. This procedure allowed studying the in-depth dpa distributions inside each crystal for all four sources. It was also possible to obtain the separate contribution from each atom to the total dpa. The LYSO crystals were found to receive more damage, mainly provoked by the displacements of silicon and oxygen atoms.
Keywords: P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
|
|
|
“Radiative and nonradiative recombination in CuInS2 nanocrystals and CuInS2-based core/shell nanocrystals”. Berends AC, Rabouw FT, Spoor FCM, Bladt E, Grozema FC, Houtepen AJ, Siebbeles LDA, de Donega CM, The journal of physical chemistry letters 7, 3503 (2016). http://doi.org/10.1021/acs.jpclett.6b01668
Abstract: Luminescent copper indium sulfide (CIS) nanocrystals are a potential solution to the toxicity issues associated with Cd- and Pb-based nanocrystals. However, the development of high-quality CIS nanocrystals has been complicated by insufficient knowledge of the electronic structure and of the factors that lead to luminescence quenching. Here we investigate the exciton decay pathways in CIS nanocrystals using time resolved photoluminescence and transient absorption spectroscopy. Core-only CIS nanocrystals with low quantum yield are compared to core/shell nanocrystals (CIS/ZnS and CIS/CdS) with higher quantum yield. Our measurements support the model of photoluminescence by radiative recombination of a conduction band electron with a localized hole. Moreover, we find that photoluminescence quenching in low-quantum-yield nanocrystals involves initially uncoupled decay pathways for the electron and hole. The electron decay pathway determines whether the exciton recombines radiatively or nonradiatively. The development of high-quality CIS nanocrystals should therefore focus on the elimination of electron traps.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 9.353
Times cited: 67
DOI: 10.1021/acs.jpclett.6b01668
|
|
|
“Radio-isotope neutron activation analysis for vanadium, manganese and tungsten in alloy steels”. Lins Galdino SM, Costa Dantas C, Van Grieken R, Analytica chimica acta 196, 337 (1987). http://doi.org/10.1016/S0003-2670(00)83107-4
Abstract: An instrumental neutron activation method for V, Mn and W in alloy steels with a 241 Am/Be isotopic neutron source is described. The samples were irradiated to induce the nuclear reactions 51V(n, γ) 52V, 55Mn(n, γ)56Mn, and 186W(n, γ)187W. The activities were measured with a NaI(TI) detector. Interferences on the measured photopeaks were shown to be negligible by measuring the half-lives of 62V, 56Mn and 187W.These thre elementes were determined in the range 1.512.9% in special steels; manganese in the range 0.51.6% was measured in cast irons. Calibration was done by comparison with results from wet chemistry and x-ray fluorescence spectrometry. The processing times for the vanadium, manganese and tungsten determinations were 11 min, 3 h and 26.3 h, respectively, but these were reduced greatly by intoruding a scheme wherein six samples were simultaneously irradiated and the 56Mn and 187W nuclides were measured sequentially for a series of 66 samples. The average processing time was reduced to 45 min for tungsten with a precision of 4.0% and accuracy of 3.4% and 22.8 min for manganese with a precision of 3.8% and accuracy of 3.1%.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/S0003-2670(00)83107-4
|
|
|
“Raman fingerprint of stacking order in HfS2-Ca(OH)(2) heterobilayer”. Yagmurcukardes M, Ozen S, Iyikanat F, Peeters FM, Sahin H, Physical review B 99, 205405 (2019). http://doi.org/10.1103/PHYSREVB.99.205405
Abstract: Using density functional theory-based first-principles calculations, we investigate the stacking order dependence of the electronic and vibrational properties of HfS2-Ca(OH)(2) heterobilayer structures. It is shown that while the different stacking types exhibit similar electronic and optical properties, they are distinguishable from each other in terms of their vibrational properties. Our findings on the vibrational properties are the following: (i) from the interlayer shear (SM) and layer breathing (LBM) modes we are able to deduce the AB' stacking order, (ii) in addition, the AB' stacking type can also be identified via the phonon softening of E-g(I) and A(g)(III) modes which harden in the other two stacking types, and (iii) importantly, the ultrahigh frequency regime possesses distinctive properties from which we can distinguish between all stacking types. Moreover, the differences in optical and vibrational properties of various stacking types are driven by two physical effects, induced biaxial strain on the layers and the layer-layer interaction. Our results reveal that with both the phonon frequencies and corresponding activities, the Raman spectrum possesses distinctive properties for monitoring the stacking type in novel vertical heterostructures constructed by alkaline-earth-metal hydroxides.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 27
DOI: 10.1103/PHYSREVB.99.205405
|
|
|
“RAMS and WRF sensitivity to grid spacing in large-eddy simulations of the dry convective boundary layer”. Ercolani G, Gorle C, Garcia Sánchez C, Corbari C, Mancini M, Computers and fluids 123, 54 (2015). http://doi.org/10.1016/j.compfluid.2015.09.009
Abstract: Large-eddy simulations (LESS) are frequently used to model the planetary boundary layer, and the choice of the grid cell size, numerical schemes and sub grid model can significantly influence the simulation results. In the present paper the impact of grid spacing on LES of an idealized atmospheric convective boundary layer (CBL), for which the statistics and flow structures are well understood, is assessed for two mesoscale models: the Regional Atmospheric Modeling System (RAMS) and the Weather Research and Forecasting model (WRF). Nine simulations are performed on a fixed computational domain (6 x 6 x 2 km), combining three different horizontal (120, 60, 30 m) and vertical (20, 10, 5 m) spacings. The impact of the cell size on the CBL is investigated by comparing turbulence statistics and velocity spectra. The results demonstrate that both WRF and RAMS can perform LES of the CBL under consideration without requiring extremely high computational loads, but they also indicate the importance of adopting a computational grid that is adequate for the numerical schemes and subgrid models used. In both RAMS and WRF a horizontal cell size of 30 m is required to obtain a suitable turbulence reproduction throughout the CBL height. Considering the vertical grid spacing, WRF produced similar results for all the three tested values, while in RAMS it should be ensured that the aspect ratio of the cells does not exceed a value of 3. The two models were found to behave differently in function of the grid resolution, and they have different shortcomings in their prediction of CBL turbulence. WRF exhibits enhanced damping at the smallest scales, while RAMS is prone to the appearance of spurious fluctuations in the flow when the grid aspect ratio is too high. (C) 2015 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.313
Times cited: 3
DOI: 10.1016/j.compfluid.2015.09.009
|
|
|
“Random charge fluctuation effect on strongly correlated dust particles confined in two dimensions”. Rouaiguia L, Djebli M, Peeters F, Physics letters : A 372, 4487 (2008). http://doi.org/10.1016/j.physleta.2008.04.020
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.772
Times cited: 4
DOI: 10.1016/j.physleta.2008.04.020
|
|
|
“Rapid automated measurement system for simultaneous determination of effective air-filled porosity and soil gas diffusivity”. Bonroy J, Volckaert M, Seuntjens P, Soil Science Society of America journal 75, 408 (2011). http://doi.org/10.2136/SSSAJ2010.0102
Abstract: The effective air-filled porosity and the gas diffusion coefficient are important soil parameters determining the success of soil bioremediation projects such as (bio)venting and (bio)sparging methods in combination with soil vapor extraction. We have developed a new method to sequentially measure the effective air-filled porosity and the soil gas diffusion coefficient of a soil sample. During the purging of the sample, a fast and accurate measurement of the effective air-filled porosity can be obtained. The subsequent diffusion measurement does not require a zero-O(2) concentration in the soil sample. The procedure further allows the calculation of the soil gas diffusion coefficient before an equilibrium O(2) concentration has been reached. The results are obtained by combining the data of the inlet and outlet compartment in a single equation. A stable reading is reached when the results for the inlet and outlet compartment coincide with the results from the combined equation. The analysis time is reduced by 89 to 96% compared with methods that run until an equilibrium concentration has been reached. Moreover, combining data from inlet and outlet compartments increases the accuracy of the diffusivity measurement by a factor of two compared with previous methods.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.2136/SSSAJ2010.0102
|
|
|
“Rapid evaluation of the debromination mechanism of eosin in oil paint by direct analysis in real time and direct infusion-electrospray ionization mass spectrometry”. Alvarez-Martin A, Cleland TP, Kavich GM, Janssens K, Newsome GA, Analytical chemistry 91, 10856 (2019). http://doi.org/10.1021/ACS.ANALCHEM.9B02568
Abstract: Eosin is a synthetic organic colorant prone to fading under the influence of light. On the basis of the growing interest in the understanding of the discoloration mechanism of eosin-based lakes, this study compares the ability of two ultrafast and ultrasensitive mass spectrometry techniques to detect eosin derivatives in complex matrices, such as oil media without the use of conventional separation columns or additional sample preparation protocols. Direct analysis in real time mass spectrometry (DART-MS) and direct infusion electrospray ionization mass spectrometry (DI-ESI-MS) were used to characterize the degradation pathway of eosin in oil media. The analysis protocols developed in this study are applied to discern the degradation mechanism of the lake pigment eosin (comprising the molecule per se complexed to an inorganic substrate) dispersed in linseed oil to create an oil paint. The analysis of oil paints by high resolution MS without an extraction methodology that modifies the system chemistry allowed us to identify the degradation forms without causing any additional fragmentation. Both techniques revealed the primary photodegradation pathway of eosin in linseed oil, and DI-ESI-MS provided additional information on the native conformation of the lake.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 6.32
Times cited: 3
DOI: 10.1021/ACS.ANALCHEM.9B02568
|
|
|
“Rapid microwave synthesis of high aspect-ration ZnO nanotetrapods for swift bisphenol A detection”. Qurashi A, Rather JA, De Wael K, Merzougui B, Tabet N, Faiz M, The analyst 138, 4764 (2013). http://doi.org/10.1039/C3AN00336A
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.885
Times cited: 15
DOI: 10.1039/C3AN00336A
|
|
|
“Rapid microwave-assisted synthesis of benzene bridged periodic mesoporous organosilicas”. Smeulders G, Meynen V, van Baelen G, Mertens M, Lebedev OI, Van Tendeloo G, Maes BUW, Cool P, Journal of materials chemistry 19, 3042 (2009). http://doi.org/10.1039/b820792e
Abstract: Following extended use in organic chemistry, microwave-assisted synthesis is gaining more importance in the field of inorganic chemistry, especially for the synthesis of nanoporous materials. It offers some major advantages such as a significant shortening of the synthesis time and an improved promotion of nucleation. In the research here reported, microwave technology is applied for the synthesis of benzene bridged PMOs (periodic mesoporous organosilicas). PMOs are one of the latest innovations in the field of hybrid ordered mesoporous materials and have attracted much attention because of their feasibility in electronics, catalysis, separation and sorption applications. The different synthesis steps (stirring, aging and extraction) of the classical PMO synthesis are replaced by microwave-assisted synthesis steps. The characteristics of the as-synthesized materials are evaluated by X-ray diffraction, N2-sorption, thermogravimetric analysis, scanning- and transmission electron microscopy. The microwave-assisted synthesis drastically reduces the synthesis time by more than 40 hours without any loss in structural properties, such as mesoscale and molecular ordering. The porosity of the PMO materials has even been improved by more than 25%. Moreover, the number of handling/transfer steps and amounts of chemicals and waste are drastically reduced. The study also shows that there is a clear time (1 to 3 hours) and temperature frame (373 K to 403 K) wherein synthesis of benzene bridged PMO is optimal. In conclusion, the microwave-assisted synthesis pathway allows an improved material to be obtained in a more economical way i.e. a much shorter time with fewer chemicals and less waste.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
Times cited: 20
DOI: 10.1039/b820792e
|
|
|
“Rapid on-site detection of illicit drugs in smuggled samples with a portable electrochemical device”. Parrilla M, Slosse A, Van Echelpoel R, Montiel FN, Langley AR, Van Durme F, De Wael K, Chemosensors 10, 108 (2022). http://doi.org/10.3390/CHEMOSENSORS10030108
Abstract: The smuggling of illicit drugs urges the development of new tools for rapid on-site identification in cargos. Current methods rely on presumptive color tests and portable spectroscopic techniques. However, these methods sometimes exhibit inaccurate results due to commonly used cutting agents, the colorful nature of the sample or because the drugs are smuggled in common goods. Interestingly, electrochemical sensors can deal with these specific problems. Herein, an electrochemical device is presented that uses affordable screen-printed electrodes for the electrochemical profiling of several illicit drugs by square-wave voltammetry (SWV). The identification of the illicit compound is based on the oxidation potential of the analyte. Hence, a library of electrochemical profiles is built upon the analysis of illicit drugs and common cutting agents. This library allows the design of a tailor-made script that enables the identification of each drug through a user-friendly interface (laptop or mobile phone). Importantly, the electrochemical test is compared by analyzing 48 confiscated samples with other portable devices based on Raman and FTIR spectroscopy as well as a laboratory standard method (i.e., gas chromatography-mass spectrometry). Overall, the electrochemical results, obtained through the analysis of different samples from confiscated cargos at an end-user site, present a promising alternative to current methods, offering low-cost and rapid testing in the field.
Keywords: A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
DOI: 10.3390/CHEMOSENSORS10030108
|
|
|
“Rational design of an XNA ligase through docking of unbound nucleic acids to toroidal proteins”. Vanmeert M, Razzokov J, Mirza MU, Weeks SD, Schepers G, Bogaerts A, Rozenski J, Froeyen M, Herdewijn P, Pinheiro VB, Lescrinier E, Nucleic acids research 47, 7130 (2019). http://doi.org/10.1093/nar/gkz551
Abstract: Xenobiotic nucleic acids (XNA) are nucleic acid analogues not present in nature that can be used for the storage of genetic information. In vivo XNA applications could be developed into novel biocontainment strategies, but are currently limited by the challenge of developing XNA processing enzymes such as polymerases, ligases and nucleases. Here, we present a structure-guided modelling-based strategy for the rational design of those enzymes essential for the development of XNA molecular biology. Docking of protein domains to unbound double-stranded nucleic acids is used to generate a first approximation of the extensive interaction of nucleic acid processing enzymes with their substrate. Molecular dynamics is used to optimise that prediction allowing, for the first time, the accurate prediction of how proteins that form toroidal complexes with nucleic acids interact with their substrate. Using the Chlorella virus DNA ligase as a proof of principle, we recapitulate the ligase's substrate specificity and successfully predict how to convert it into an XNA-templated XNA ligase.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 10.162
Times cited: 1
DOI: 10.1093/nar/gkz551
|
|
|
“Rational synthesis of a nanocrystalline calcium phosphate cement exhibiting rapid conversion to hydroxyapatite”. Neira IS, Kolen'ko YV, Lebedev OI, Van Tendeloo G, Gupta HS, Matsushita N, Yoshimura M, Guitian F, Materials science and engineering: part C: biomimetic materials 29, 2124 (2009). http://doi.org/10.1016/j.msec.2009.04.011
Abstract: The rational synthesis, comprehensive characterization, and mechanical and micromechanical properties of a calcium phosphate cement are presented. Hydroxyapatite cement biomaterial was synthesized from reactive sub-micrometer-sized dicalcium phosphate dihydrate and tetracalcium phosphate via a dissolution-precipitation reaction using water as the liquid phase. As a result nanostructured, Ca-deficient and carbonated B-type hydroxyapatite is formed. The cement shows good processibility, sets in 22 ± 2 min and entirely transforms to the end product after 6 h of setting reaction, one of the highest conversion rates among previously reported for calcium phosphate cements based on dicalcium and tetracalcium phosphates. The combination of all elucidated physical-chemical traits leads to an essential bioactivity and biocompatibility of the cement, as revealed by in vitro acellular simulated body fluid and cell culture studies. The compressive strength of the produced cement biomaterial was established to be 25 ± 3 MPa. Furthermore, nanoindentation tests were performed directly on the cement to probe its local elasticity and plasticity at sub-micrometer/micrometer level. The measured elastic modulus and hardness were established to be Es = 23 ± 3.5 and H = 0.7 ± 0.2 GPa, respectively. These values are in close agreement with those reported in literature for trabecular and cortical bones, reflecting good elastic and plastic coherence between synthesized cement biomaterial and human bones.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.164
Times cited: 18
DOI: 10.1016/j.msec.2009.04.011
|
|
|
“Rationalizing the influence of the Mn(IV)/Mn(III) red-Ox transition on the electrocatalytic activity of manganese oxides in the oxygen reduction reaction”. Ryabova AS, Napolskiy FS, Poux T, Istomin SY, Bonnefont A, Antipin DM, Baranchikov AY, Levin EE, Abakumov AM, Kéranguéven G, Antipov EV, Tsirlina GA, Savinova ER;, Electrochimica acta 187, 161 (2016). http://doi.org/10.1016/j.electacta.2015.11.012
Abstract: Knowledge on the mechanisms of oxygen reduction reaction (ORR) and descriptors linking the catalytic activity to the structural and electronic properties of transition metal oxides enable rational design of more efficient catalysts. In this work ORR electrocatalysis was studied on a set of single and complex Mn (III) oxides with a rotating disc electrode method and cyclic voltammetry. We discovered an exponential increase of the specific electrocatalytic activity with the potential of the surface Mn(IV)/Mn(III) red-ox couple, suggesting the latter as a new descriptor for the ORR electrocatalysis. The observed dependence is rationalized using a simple mean-field kinetic model considering availability of the Mn( III) centers and adsorbate-adsorbate interactions. We demonstrate an unprecedented activity of Mn2O3, ca. 40 times exceeding that of MnOOH and correlate the catalytic activity of Mn oxides to their crystal structure. (C) 2015 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.798
Times cited: 51
DOI: 10.1016/j.electacta.2015.11.012
|
|
|
“Raw materials for medieval to post-medieval Tuscan glassmaking : new insight from LA-ICP-MS analyses”. Cagno S, Mendera M, Jeffries T, Janssens K, Journal of archaeological science 37, 3030 (2010). http://doi.org/10.1016/J.JAS.2010.06.030
Abstract: LA-ICP-MS analyses were performed on a set of Tuscan (post) medieval archaeological glass finds dated to the 1316th century in order to quantitatively determine the trace element contents. The results are used for defining and distinguishing several compositional groups. The trace element data are consistent with the distinctions obtained by considering the major element data determined via quantitative SEM-EDX, but allow to obtain new insights into the nature and quality of the silica sources employed and the presumed method of ash purification.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 2.602
Times cited: 38
DOI: 10.1016/J.JAS.2010.06.030
|
|
|
“Rayleigh instability of confined vortex droplets in critical superconductors”. Lukyanchuk I, Vinokur VM, Rydh A, Xie R, Milošević, MV, Welp U, Zach M, Xiao ZL, Crabtree GW, Bending SJ, Peeters FM, Kwok WK, Nature physics 11, 21 (2015). http://doi.org/10.1038/NPHYS3146
Abstract: Depending on the Ginzburg-Landau parameter kappa, superconductors can either be fully diamagnetic if kappa < 1/root 2 (type I superconductors) or allow magnetic flux to penetrate through Abrikosov vortices if kappa > 1/root 2 (type II superconductors; refs 1,2). At the Bogomolny critical point, kappa = kappa(c) = 1/root 2, a state that is infinitely degenerate with respect to vortex spatial configurations arises(3,4). Despite in-depth investigations of conventional type I and type II superconductors, a thorough understanding of the magnetic behaviour in the near-Bogomolny critical regime at kappa similar to kappa(c) remains lacking. Here we report that in confined systems the critical regime expands over a finite interval of kappa forming a critical superconducting state. We show that in this state, in a sample with dimensions comparable to the vortex core size, vortices merge into a multi-quanta droplet, which undergoes Rayleigh instability(5) on increasing kappa and decays by emitting single vortices. Superconducting vortices realize Nielsen-Olesen singular solutions of the Abelian Higgs model, which is pervasive in phenomena ranging from quantum electrodynamics to cosmology(6-9). Our study of the transient dynamics of Abrikosov-Nielsen-Olesen vortices in systems with boundaries promises access to non-trivial effects in quantum field theory by means of bench-top laboratory experiments.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 22.806
Times cited: 20
DOI: 10.1038/NPHYS3146
|
|
|
“Re-entrant pinning of Wigner molecules in a magnetic field due to a Coulomb impurity”. Szafran B, Peeters FM, Europhysics letters 66, 701 (2004). http://doi.org/10.1209/epl/i2003-10250-8
Abstract: Pinning of magnetic-field-induced Wigner molecules (WMs) confined in parabolic two-dimensional quantum dots by a charged defect is studied by an exact diagonalization approach. We found a re-entrant pinning of the WMs as a function of the magnetic field, a magnetic-field-induced re-orientation of the WMs and a qualitatively different pinning behaviour in the presence of a positive and negative Coulomb impurity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 11
DOI: 10.1209/epl/i2003-10250-8
|
|
|
“Reaction mechanisms and thin a-C:H film growth from low energy hydrocarbon radicals”. Neyts E, Bogaerts A, van de Sanden MCM, Journal of physics : conference series 86, 12020 (2007). http://doi.org/10.1088/1742-6596/86/1/012020
Abstract: Molecular dynamics simulations using the Brenner potential have been performed to investigate reaction mechanisms of various hydrocarbon radicals with low kinetic energies on amorphous hydrogenated carbon (a-C:H) surfaces and to simulate thin a-C:H film growth. Experimental data from an expanding thermal plasma setup were used as input for the simulations. The hydrocarbon reaction mechanisms were studied both during growth of the films and on a set of surface sites specific for a-C:H surfaces. Thin film growth was studied using experimentally detected growth species. It is found that the reaction mechanisms and sticking coefficients are dependent on the specific surface sites, and the structural properties of the growth radicals. Furthermore, it is found that thin a-C:H films can be densified using an additional H-flux towards the substrate.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 22
DOI: 10.1088/1742-6596/86/1/012020
|
|