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“A graphene oxide amplification platform tagged with tyrosinase-zinc oxide quantum dot hybrids for the electrochemical sensing of hydroxylated polychlorobiphenyls”. Rather JA, Pilehvar S, De Wael K, Sensors and actuators : B : chemical 190, 612 (2014). http://doi.org/10.1016/J.SNB.2013.09.018
Abstract: Graphene oxide can act as an amplification platform for the immobilization of a hybrid structure composed of tyrosinase (Tyr) and zinc oxide quantum dots (ZnO QDs). This article describes how this platform increases the sensitivity for the detection of hydroxylated polychlorobiphenyls (OH-PCBs). The adsorption of Tyr (with low isoelectric point) on the positively charged surface of ZnO QDs is based on electrostatic interactions. The scanning electron microscopic images and UVvis spectroscopic analysis demonstrated the adsorption of Tyr on ZnO QDs. The stepwise assembly process of the fabricated biosensor was characterized by cyclic voltammetry and electrochemical impedance spectroscopy. The synthesized ZnO QDs and graphene oxide were characterized by Raman spectroscopy, infrared spectroscopy, X-ray diffraction and scanning electron microscopic techniques. The determination of OH-PCBs was carried out by using square wave voltammetry over the concentration range of 2.827.65 μM with a detection limit of 0.15 μM with good reproducibility, selectivity and acceptable stability. The high value of surface coverage of ZnO QDs and small value of MichaelisMenten constant (View the MathML source) confirmed an excellent loading of the Tyr and a high affinity of the biosensor toward the detection of OH-PCBs. This biosensor and the described sensing platform offer a great potential for rapid, cost-effective and on-field analysis of OH-PCBs.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 5.401
Times cited: 26
DOI: 10.1016/J.SNB.2013.09.018
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“Swift electrochemical detection of paraben an endocrine disruptor by In2O3 nanobricks”. Qurashi A, Rather JA, Yamazaki T, Sohail M, De Wael K, Merzougui B, Hakeem AS, Sensors and actuators : B : chemical 221, 167 (2015). http://doi.org/10.1016/J.SNB.2015.06.026
Abstract: Novel indium oxide (In2O3) nanobricks have been prepared by template-less and surfactant-free hydrothermal synthesis method and were characterized by X-ray diffraction (XRD), Raman spectroscopy, photoluminescence (PL) spectroscopy and field emission scanning electronic microscopy (FESEM). The synthesized In2O3 nanobricks were successfully immobilized on the surface of glassy carbon electrode for the detection of Parabens (butylparaben). Owing to the unique structure and intriguing properties of these In2O3 nanobricks, the nanostructured thin-film electrode has shown an obvious electrocatalytic activity for the detection of butylparaben (BP). The detection limit (LOD) was estimated as 3 s/m and the sensitivity (LOQ) was calculated as 10 s/m and were found to be 0.08 μM and 0.26 μA μM−1 cm−2 respectively. This sensor showed high sensitivity compared with the reported electrochemical sensors for the detection of BP. The fabricated sensor was successfully applied for the detection of butyl paraben in real cosmetic samples with good recovery ranging from 96.0 to 100.3%.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 5.401
Times cited: 11
DOI: 10.1016/J.SNB.2015.06.026
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“Integration of a photoelectrochemical cell in a flow system for quantification of 4-aminophenol with titanium dioxide”. Mendonça CD, Rahemi V, Hereijgers J, Breugelmans T, Machado SAS, De Wael K, Electrochemistry Communications 117, 106767 (2020). http://doi.org/10.1016/J.ELECOM.2020.106767
Abstract: The photoelectrochemical quantification of phenolic compounds such as hydroquinone (HQ) and 4-aminophenol (4-AP) is accomplished by integrating a photoelectrochemical cell into a flow injection analysis (FIA) setup. It is a well-known fact that during the electroanalysis of phenolic compounds, the electrode surface is susceptible to poisoning. However, electrode fouling can be reduced significantly by using the FIA system with periodic washing of the electrode. Reactive oxygen species (ROS), which are generated on the surface of TiO2 under UV light, can oxidize phenolic compounds such as 4-AP. The oxidized form of 4-AP is reduced back at the electrode surface, generating a measurable signal proportional to its concentration. The factors influencing the perfor-mance of the sensor, such as flow rate, applied potential for back reduction and pH, are investigated in detail. In the concentration range 0.0125-1.0 mu M, a linear correlation between the photocurrent and the concentration of 4-AP was observed with a sensitivity of 0.6 A M-1 cm(-2) and a limit of detection of 18 nM. A straightforward analytical methodology for the on-site, highly sensitive and low-cost quantification of phenolic compounds is presented, based on the use of TiO2 in a photoelectrochemical flow cell.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 5.4
Times cited: 1
DOI: 10.1016/J.ELECOM.2020.106767
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“Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers”. Pandey T, Peeters FM, Milošević, MV, 2D materials 9, 015034 (2022). http://doi.org/10.1088/2053-1583/AC427E
Abstract: Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.5
Times cited: 2
DOI: 10.1088/2053-1583/AC427E
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“Topologically protected moiré, exciton at a twist-boundary in a van der Waals heterostructure”. Chaves A, Covaci L, Peeters FM, Milošević, MV, 2D materials 9, 025012 (2022). http://doi.org/10.1088/2053-1583/ac529d
Abstract: A twin boundary in one of the layers of a twisted van der Waals heterostructure separates regions with near opposite inter-layer twist angles. In a MoS<sub>2</sub>/WSe<sub>2</sub>bilayer, the regions with<inline-formula><tex-math><?CDATA $Rh^h$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>h</mi></msubsup></math><inline-graphic href=“tdmac529dieqn1.gif” type=“simple” /></inline-formula>and<inline-formula><tex-math><?CDATA $Rh^X$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>X</mi></msubsup></math><inline-graphic href=“tdmac529dieqn2.gif” type=“simple” /></inline-formula>stacking registry that defined the sub-lattices of the moiré honeycomb pattern would be mirror-reflected across such a twist boundary. In that case, we demonstrate that topologically protected chiral moiré exciton states are confined at the twist boundary. These are one-dimensional and uni-directional excitons with opposite velocities for excitons composed by electronic states with opposite valley/spin character, enabling intrinsic, guided, and far reaching valley-polarized exciton currents.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 5.5
Times cited: 3
DOI: 10.1088/2053-1583/ac529d
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“Tailoring high-frequency magnonics in monolayer chromium trihalides”. Menezes RM, Šabani D, Bacaksiz C, de Souza Silva CC, Milošević, MV, 2D materials 9, 025021 (2022). http://doi.org/10.1088/2053-1583/ac5bf3
Abstract: Monolayer chromium-trihalides, the archetypal two-dimensional (2D) magnetic materials, are readily suggested as a promising platform for high-frequency magnonics. Here we detail the spin-wave properties of monolayer CrBr<sub>3</sub>and CrI<sub>3</sub>, using spin-dynamics simulations parametrized from the first principles. We reveal that spin-wave dispersion can be tuned in a broad range of frequencies by strain, paving the way towards flexo-magnonic applications. We further show that ever-present halide vacancies in these monolayers host sufficiently strong Dzyaloshinskii-Moriya interaction to scatter spin-waves, which promotes design of spin-wave guides by defect engineering. Finally we discuss the spectra of spin-waves propagating across a moiré-periodic modulation of magnetic parameters in a van der Waals heterobilayer, and show that the nanoscale moiré periodicities in such samples are ideal for realization of a magnonic crystal in the terahertz frequency range. Recalling the additional tunability of magnetic 2D materials by electronic gating, our results situate these systems among the front-runners for prospective high-frequency magnonic applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.5
DOI: 10.1088/2053-1583/ac5bf3
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“Probing oxygen activation on plasmonic photocatalysts”. Dingenen F, Borah R, Ninakanti R, Verbruggen SW, Frontiers in Chemistry 10, 988542 (2022). http://doi.org/10.3389/FCHEM.2022.988542
Abstract: In this work we present an assay to probe the oxygen activation rate on plasmonic nanoparticles under visible light. Using a superoxide-specific XTT molecular probe, the oxygen activation rate on bimetallic gold-silver “rainbow” nanoparticles with a broadband visible light (> 420 nm) response, is determined at different light intensities by measuring its conversion into the colored XTT-formazan derivate. A kinetic model is applied to enable a quantitative estimation of the rate constant, and is shown to match almost perfectly with the experimental data. Next, the broadband visible light driven oxygen activation capacity of this plasmonic rainbow system, supported on nano-sized SiO 2 , is demonstrated towards the oxidation of aniline to azobenzene in DMSO. To conclude, a brief theoretical discussion is devoted to the possible mechanisms behind such plasmon-driven reactions.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.5
DOI: 10.3389/FCHEM.2022.988542
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“Tackling the problem of sensing commonly abused drugs through nanomaterials and (bio)recognition approaches”. Truta F, Florea A, Cernat A, Tertis M, Hosu O, De Wael K, Cristea C, Frontiers In Chemistry 8, 561638 (2020). http://doi.org/10.3389/FCHEM.2020.561638
Abstract: We summarize herein the literature in the last decade, involving the use of nanomaterials and various (bio)recognition elements, such as antibodies, aptamers and molecularly imprinted polymers, for the development of sensitive and selective (bio)sensors for illicit drugs with a focus on electrochemical transduction systems. The use and abuse of illicit drugs remains an increasing challenge for worldwide authorities and, therefore, it is important to have accurate methods to detect them in seized samples, biological fluids and wastewaters. They are recently classified as the latest group of “emerging pollutants,” as their consumption has increased tremendously in recent years. Nanomaterials, antibodies, aptamers and molecularly imprinted polymers have gained much attention over the last decade in the development of (bio)sensors for a myriad of applications. The applicability of these (nano)materials, functionalized or not, has significantly increased, and are therefore highly suitable for use in the detection of drugs. Lately, such functionalized nanoscale materials have assisted in the detection of illicit drugs fingerprints, providing large surface area, functional groups and unique properties that facilitate sensitive and selective sensing. The review discusses the types of commonly abused drugs and their toxicological implications, classification of functionalized nanomaterials (graphene, carbon nanotubes), their fabrication, and their application on real samples in different fields of forensic science. Biosensors for drugs of abuse from the last decade's literature are then exemplified. It also offers insights into the prospects and challenges of bringing the functionalized nanobased technology to the end user in the laboratories or in-field.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 5.5
DOI: 10.3389/FCHEM.2020.561638
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“Direct oxidation of methane to methanol on Co embedded N-doped graphene: Comparing the role of N₂O and O₂, as oxidants”. Nematollahi P, Neyts EC, Applied Catalysis A-General 602, 117716 (2020). http://doi.org/10.1016/J.APCATA.2020.117716
Abstract: In this work, the effects of N-doping into the Co-doped single vacancy (Co-SV-G) and di-vacancy graphene flake (Co-dV-G) are investigated and compared toward direct oxidation of methane to methanol (DOMM) employing two different oxidants (N2O and O-2) using density functional theory (DFT) calculation. We found that DOMM on CoN3-G utilizing the N2O molecule as oxygen-donor proceeds via a two-step reaction with low activation energies. In addition, we found that although CoN3-G might be a good catalyst for methane conversion, it can also catalyze the oxidation of methanol to CO2 and H2O due to the required low activation barriers. Moreover, the adsorption behaviors of CHx (x = 0-4) species and dehydrogenation of CHx (x = 1-4) species on CoN3-G are investigated. We concluded that CoN3-G can be used as an efficient catalyst for DOMM and N-2O reduction at ambient conditions which may serve as a guide for fabricating effective C/N catalysts in energy-related devices.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 5.5
DOI: 10.1016/J.APCATA.2020.117716
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“Hematite at its thinnest limit”. Bacaksiz C, Yagmurcukardes M, Peeters FM, Milošević, MV, 2d Materials 7, 025029 (2020). http://doi.org/10.1088/2053-1583/AB6D79
Abstract: Motivated by the recent synthesis of two-dimensional alpha-Fe2O3 (Balan et al 2018 Nat. Nanotechnol. 13 602), we analyze the structural, vibrational, electronic and magnetic properties of single- and few-layer alpha-Fe2O3 compared to bulk, by ab initio and Monte-Carlo simulations. We reveal how monolayer alpha-Fe2O3 (hematene) can be distinguished from the few-layer structures, and how they all differ from bulk through observable Raman spectra. The optical spectra exhibit gradual shift of the prominent peak to higher energy, as well as additional features at lower energy when alpha-Fe2O3 is thinned down to a monolayer. Both optical and electronic properties have strong spin asymmetry, meaning that lower-energy optical and electronic activities are allowed for the single-spin state. Finally, our considerations of magnetic properties reveal that 2D hematite has anti-ferromagnetic ground state for all thicknesses, but the critical temperature for Morin transition increases with decreasing sample thickness. On all accounts, the link to available experimental data is made, and further measurements are prompted.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.5
Times cited: 12
DOI: 10.1088/2053-1583/AB6D79
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“A core-shell confined Pd@TS-1 @meso-SiO2 catalyst and its synergy effect on styrene oxidation”. Wang Y-T, Wu S-M, Luo G-Q, Tian G, Wang L-Y, Xiao S-T, Wu J-X, Wu A, Wu K-J, Lenaerts S, Yang X-Y, Applied catalysis : A : general 650, 119016 (2023). http://doi.org/10.1016/J.APCATA.2022.119016
Abstract: Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO2) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation. The interaction between Pd and TS-1 has been investigated by EPR and 1H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.5
DOI: 10.1016/J.APCATA.2022.119016
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“SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces”. Tchakoua T, Gerrits N, Smeets EWF, Kroes G-J, Journal of chemical theory and computation 19, 245 (2023). http://doi.org/10.1021/ACS.JCTC.2C00824
Abstract: Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 5.5
DOI: 10.1021/ACS.JCTC.2C00824
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“Picometer-precision few-tilt ptychotomography of 2D materials”. Hofer C, Mustonen K, Skakalova V, Pennycook TJ, 2D materials 10, 035029 (2023). http://doi.org/10.1088/2053-1583/ACDD80
Abstract: From ripples to defects, edges and grain boundaries, the 3D atomic structure of 2D materials is critical to their properties. However the damage inflicted by conventional 3D analysis precludes its use with fragile 2D materials, particularly for the analysis of local defects. Here we dramatically increase the potential for precise local 3D atomic structure analysis of 2D materials, with both greatly improved dose efficiency and sensitivity to light elements. We demonstrate light atoms can now be located in complex 2D materials with picometer precision at doses 30 times lower than previously possible. Moreover we demonstrate this using WS2, in which the light atoms are practically invisible to conventional methods at low doses. The key advance is combining the concept of few tilt tomography with highly dose efficient ptychography in scanning transmission electron microscopy. We further demonstrate the method experimentally with the even more challenging and newly discovered 2D CuI, leveraging a new extremely high temporal resolution camera.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.5
DOI: 10.1088/2053-1583/ACDD80
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“Quantum wavefront shaping with a 48-element programmable phase plate for electrons”. Yu CP, Vega Ibañez F, Béché, A, Verbeeck J, SciPost Physics 15, 223 (2023). http://doi.org/10.21468/SciPostPhys.15.6.223
Abstract: We present a 48-element programmable phase plate for coherent electron waves produced by a combination of photolithography and focused ion beam. This brings the highly successful concept of wavefront shaping from light optics into the realm of electron optics and provides an important new degree of freedom to prepare electron quantum states. The phase plate chip is mounted on an aperture rod placed in the C2 plane of a transmission electron microscope operating in the 100-300 kV range. The phase plate's behavior is characterized by a Gerchberg-Saxton algorithm, showing a phase sensitivity of 0.075 rad/mV at 300 kV, with a phase resolution of approximately 3x10e−3π. In addition, we provide a brief overview of possible use cases and support it with both simulated and experimental results.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT)
Impact Factor: 5.5
Times cited: 1
DOI: 10.21468/SciPostPhys.15.6.223
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“Goodenough-Kanamori-Anderson high-temperature ferromagnetism in tetragonal transition-metal xenes”. Yorulmaz U, Šabani D, Sevik C, Milošević, MV, 2D materials 11, 035013 (2024). http://doi.org/10.1088/2053-1583/AD3E08
Abstract: Seminal Goodenough-Kanamori-Anderson (GKA) rules provide an inceptive understanding of the superexchange interaction of two magnetic metal ions bridged with an anion, and suggest fostered ferromagnetic interaction for orthogonal bridging bonds. However, there are no examples of two-dimensional (2D) materials with structure that optimizes the GKA arguments towards enhanced ferromagnetism and its critical temperature. Here we reveal that an ideally planar GKA ferromagnetism is indeed stable in selected tetragonal transition-metal xenes (tTMXs), with Curie temperature above 300 K found in CrC and MnC. We provide the general orbitally-resolved analysis of magnetic interactions that supports the claims and sheds light at the mechanisms dominating the magnetic exchange process in these structures. Furthermore, we propose the set of three GKA-like rules that will guarantee room temperature ferromagetnism. With recent advent of epitaxially-grown tetragonal 2D materials, our findings earmark tTMXs for facilitated spintronic and magnonic applications, or as a desirable magnetic constituent of functional 2D heterostructures.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.5
DOI: 10.1088/2053-1583/AD3E08
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“ZnAl layered double hydroxide based catalysts (with Cu, Mn, Ti) used as noble metal-free three-way catalysts”. Van Everbroeck T, Wu J, Arenas-Esteban D, Ciocarlan R-G, Mertens M, Bals S, Dujardin C, Granger P, Seftel EM, Cool P, Applied clay science 217, 106390 (2022). http://doi.org/10.1016/j.clay.2021.106390
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 5.6
Times cited: 6
DOI: 10.1016/j.clay.2021.106390
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“Cold Atmospheric Plasma Does Not Affect Stellate Cells Phenotype in Pancreatic Cancer Tissue in Ovo”. Privat-Maldonado A, Verloy R, Cardenas Delahoz E, Lin A, Vanlanduit S, Smits E, Bogaerts A, International Journal Of Molecular Sciences 23, 1954 (2022). http://doi.org/10.3390/ijms23041954
Abstract: Pancreatic ductal adenocarcinoma (PDAC) is a challenging neoplastic disease, mainly due to the development of resistance to radio- and chemotherapy. Cold atmospheric plasma (CAP) is an alternative technology that can eliminate cancer cells through oxidative damage, as shown in vitro, in ovo, and in vivo. However, how CAP affects the pancreatic stellate cells (PSCs), key players in the invasion and metastasis of PDAC, is poorly understood. This study aims to determine the effect of an anti-PDAC CAP treatment on PSCs tissue developed in ovo using mono- and co-cultures of RLT-PSC (PSCs) and Mia PaCa-2 cells (PDAC). We measured tissue reduction upon CAP treatment and mRNA expression of PSC activation markers and extracellular matrix (ECM) remodelling factors via qRT-PCR. Protein expression of selected markers was confirmed via immunohistochemistry. CAP inhibited growth in Mia PaCa-2 and co-cultured tissue, but its effectiveness was reduced in the latter, which correlates with reduced ki67 levels. CAP did not alter the mRNA expression of PSC activation and ECM remodelling markers. No changes in MMP2 and MMP9 expression were observed in RLT-PSCs, but small changes were observed in Mia PaCa-2 cells. Our findings support the ability of CAP to eliminate PDAC cells, without altering the PSCs.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Impact Factor: 5.6
DOI: 10.3390/ijms23041954
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“Effect of Cysteine Oxidation in SARS-CoV-2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from Atomistic Simulations”. Ghasemitarei M, Privat-Maldonado A, Yusupov M, Rahnama S, Bogaerts A, Ejtehadi MR, Journal Of Chemical Information And Modeling 62, 129 (2022). http://doi.org/10.1021/acs.jcim.1c00853
Abstract: Binding of the SARS-CoV-2 S-glycoprotein to cell receptors is vital for the entry of the virus into cells and subsequent infection. ACE2 is the main cell receptor for SARS-CoV-2, which can attach to the C-terminal receptor-binding domain (RBD) of the SARS-CoV-2 S-glycoprotein. The GRP78 receptor plays an anchoring role, which attaches to the RBD and increases the chance of other RBDs binding to ACE2. Although high levels of reactive oxygen and nitrogen species (RONS) are produced during viral infections, it is not clear how they affect the RBD structure and its binding to ACE2 and GRP78. In this research, we apply molecular dynamics simulations to study the effect of oxidation of the highly reactive cysteine (Cys) amino acids of the RBD on its binding to ACE2 and GRP78. The interaction energy of both ACE2 and GRP78 with the whole RBD, as well as with the RBD main regions, is compared in both the native and oxidized RBDs. Our results show that the interaction energy between the oxidized RBD and ACE2 is strengthened by 155 kJ/mol, increasing the binding of the RBD to ACE2 after oxidation. In addition, the interaction energy between the RBD and GRP78 is slightly increased by 8 kJ/mol after oxidation, but this difference is not significant. Overall, these findings highlight the role of RONS in the binding of the SARS-CoV-2 S-glycoprotein to host cell receptors and suggest an alternative mechanism by which RONS could modulate the entrance of viral particles into the cells.
Keywords: A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 5.6
DOI: 10.1021/acs.jcim.1c00853
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“Physical plasma-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death”. Kumar N, Perez-Novo C, Shaw P, Logie E, Privat-Maldonado A, Dewilde S, Smits E, Berghe WV, Bogaerts A, Free Radical Biology And Medicine 166, 187 (2021). http://doi.org/10.1016/j.freeradbiomed.2021.02.026
Abstract: Despite modern therapeutic advances, the survival prospects of pancreatic cancer patients remain poor, due to chemoresistance and dysregulated oncogenic kinase signaling networks. We applied a novel kinome activitymapping approach using biological peptide targets as phospho-sensors to identify vulnerable kinase dependencies for therapy sensitization by physical plasma. Ser/Thr-kinome specific activity changes were mapped upon induction of ferroptotic cell death in pancreatic tumor cells exposed to reactive oxygen and nitrogen species of plasma-treated water (PTW). This revealed a broad kinome activity response involving the CAMK, the AGC and CMGC family of kinases. This systems-level kinome network response supports stress adaptive switches between chemoresistant anti-oxidant responses of Kelch-like ECH-associated protein 1 (KEAP1)/Heme Oxygenase 1 (HMOX1) and ferroptotic cell death sensitization upon suppression of Nuclear factor (erythroid derived 2)-like 2 (NRF2) and Glutathione peroxidase 4 (GPX4). This is further supported by ex vivo experiments in the chicken chorioallantoic membrane assay, showing decreased GPX4 and Glutathione (GSH) expression as well as increased lipid peroxidation, along with suppressed BxPC-3 tumor growth in response to PTW. Taken all together, we demonstrate that plasma treated water-derived oxidants sensitize pancreatic cancer cells to ferroptotic cell death by targeting a NRF2-HMOX1-GPX4 specific kinase signaling network.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Impact Factor: 5.606
DOI: 10.1016/j.freeradbiomed.2021.02.026
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“Cooperative electrocatalytic and chemoselective alcohol oxidation by Shvo's catalyst”. Lybaert J, Trashin S, Maes BUW, De Wael K, Abbaspour Tehrani K, Advanced synthesis and catalysis 359, 919 (2017). http://doi.org/10.1002/ADSC.201600783
Abstract: A new electrocatalytic conversion of alcohols to ketones and aldehydes was developed based on an electrochemical study of Shvos complex. The oxidation of secondary alcohols was efficiently performed under mild conditions using a catalytic amount of Shvos catalyst, in combination with a sub-stoichiometric amount of 2,6-dimethoxy-1,4- benzoquinone in N,N-dimethylformamide at 80 8C. The hydroquinone thus formed is continuously reoxidized with the aid of an electrochemical device. Excellent yields for different ketones, aromatic as well as aliphatic and a,b-unsaturated ketones, are obtained. In addition, chemoselectivity towards oxidation of the secondary alcohol is achieved when converting vicinal diols such as 1,2-octanediol and 1,2-decanediol.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Organic synthesis (ORSY)
Impact Factor: 5.646
Times cited: 4
DOI: 10.1002/ADSC.201600783
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“The potential of microalgae biorefineries in Belgium and India : an environmental techno-economic assessment”. Thomassen G, Van Dael M, Van Passel S, Bioresource Technology 267, 271 (2018). http://doi.org/10.1016/J.BIORTECH.2018.07.037
Abstract: This study performs an environmental techno-economic assessment (ETEA) for multiple microalgae biorefinery concepts at different locations, those being Belgium and India. The ETEA methodology, which integrates aspects of the TEA and LCA methodologies and provides a clear framework for an integrated assessment model, has been proposed and discussed. The scenario in India has a higher profitability with a NPV of (sic)40 million over a period of 10 years, while the environmental impact in Belgium is lower. The inclusion of a medium recycling step provides the best scenario from both perspectives. The crucial parameters for feasibility are the beta-caroteneprice and content, the upstream environmental impact of electricity and the maximum biomass concentration during cultivation. The identification of these parameters by the ETEA guides future technology developments and shortens the time-to-market for microalgal-based biorefineries.
Keywords: A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 5.651
Times cited: 8
DOI: 10.1016/J.BIORTECH.2018.07.037
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“Cocultivating aerobic heterotrophs and purple bacteria for microbial protein in sequential photo- and chemotrophic reactors”. Alloul A, Muys M, Hertoghs N, Kerckhof F-M, Vlaeminck SE, Bioresource Technology 319, 124192 (2021). http://doi.org/10.1016/J.BIORTECH.2020.124192
Abstract: Aerobic heterotrophic bacteria (AHB) and purple non-sulfur bacteria (PNSB) are typically explored as two separate types of microbial protein, yet their properties as respectively a bulk and added-value feed ingredient make them appealing for combined use. The feasibility of cocultivation in a sequential photo- and chemotrophic approach was investigated. First, mapping the chemotrophic growth kinetics for four Rhodobacter, Rhodopseudomonas and Rhodospirillum species on different carbon sources showed a preference for fructose (µmax 2.4–3.9 d−1 28 °C; protein 36–59%DW). Secondly, a continuous photobioreactor inoculated with Rhodobacter capsulatus (VFA as C-source) delivered the starter culture for an aerobic batch reactor (fructose as C-source). This two-stage system showed an improved nutritional quality compared to AHB production: higher protein content (45–71%DW), more attractive amino/fatty acid profile and contained up to 10% PNSB. The findings strengthen protein production with cocultures and might enable the implementation of the technology for resource recovery on streams such as wastewater.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.651
DOI: 10.1016/J.BIORTECH.2020.124192
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“Microbial food from light, carbon dioxide and hydrogen gas : kinetic, stoichiometric and nutritional potential of three purple bacteria”. Spanoghe J, Vermeir P, Vlaeminck SE, Bioresource Technology 337, 125364 (2021). http://doi.org/10.1016/J.BIORTECH.2021.125364
Abstract: The urgency for a protein transition towards more sustainable solutions is one of the major societal challenges. Microbial protein is one of the alternative routes, in which land- and fossil-free production should be targeted. The photohydrogenotrophic growth of purple bacteria, which builds on the H2– and CO2-economy, is unexplored for its microbial protein potential. The three tested species (Rhodobacter capsulatus, Rhodobacter sphaeroides and Rhodopseudomonas palustris) obtained promising growth rates (2.3–2.7 d−1 at 28°C) and protein productivities (0.09–0.12 g protein L−1 d−1), rendering them likely faster and more productive than microalgae. The achieved protein yields (2.6–2.9 g protein g−1 H2) transcended the ones of aerobic hydrogen oxidizing bacteria. Furthermore, all species provided full dietary protein matches for humans and their fatty acid content was dominated by vaccenic acid (82–86%). Given its kinetic and nutritional performance we recommend to consider Rhodobacter capsulatus as a high-potential sustainable source of microbial food.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.651
DOI: 10.1016/J.BIORTECH.2021.125364
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“Oxygen control and stressor treatments for complete and long-term suppression of nitrite-oxidizing bacteria in biofilm-based partial nitritation/anammox”. Van Tendeloo M, Xie Y, Van Beeck W, Zhu W, Lebeer S, Vlaeminck SE, Bioresource Technology 342, 125996 (2021). http://doi.org/10.1016/J.BIORTECH.2021.125996
Abstract: Mainstream nitrogen removal by partial nitritation/anammox (PN/A) can realize energy and cost savings for sewage treatment. Selective suppression of nitrite oxidizing bacteria (NOB) remains a key bottleneck for PN/A implementation. A rotating biological contactor was studied with an overhead cover and controlled air/N2 inflow to regulate oxygen availability at 20 °C. Biofilm exposure to dissolved oxygen concentrations < 0.51 ± 0.04 mg O2 L-1 when submerged in the water and < 1.41 ± 0.31 mg O2 L-1 when emerged in the headspace (estimated), resulted in complete and long-term NOB suppression with a low relative nitrate production ratio of 10 ± 4%. Additionally, weekly biofilm stressor treatments with free ammonia (FA) (29 ± 1 mg NH3-N L-1 for 3 h) could improve the NOB suppression while free nitrous acid treatments had insufficient effect. This study demonstrated the potential of managing NOB suppression in biofilm-based systems by oxygen control and recurrent FA exposure, opening opportunities for resource efficient nitrogen removal.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.651
DOI: 10.1016/J.BIORTECH.2021.125996
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“Editorial: leaf functional traits : ecological and evolutionary implications”. Niklas KJ, Shi P, Gielis J, Schrader J, Niinemets U, Frontiers in plant science 14, 1169558 (2023). http://doi.org/10.3389/FPLS.2023.1169558
Keywords: Editorial; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.6
DOI: 10.3389/FPLS.2023.1169558
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“Clogging and unclogging of hydrocarbon-contaminated nanochannels”. Javdani Z, Hassani N, Faraji F, Zhou R, Sun C, Radha B, Neyts E, Peeters FM, Neek-Amal M, The journal of physical chemistry letters 13, 11454 (2022). http://doi.org/10.1021/ACS.JPCLETT.2C03016
Abstract: The recent advantages of the fabrication of artificial nanochannels enabled new research on the molecular transport, permeance, and selectivity of various gases and molecules. However, the physisorption/chemisorption of the unwanted molecules (usually hydrocarbons) inside nanochannels results in the alteration of the functionality of the nanochannels. We investigated contamination due to hydrocarbon molecules, nanochannels made of graphene, hexagonal boron nitride, BC2N, and molybdenum disulfide using molecular dynamics simulations. We found that for a certain size of nanochannel (i.e., h = 0.7 nm), as a result of the anomalous hydrophilic nature of nanochannels made of graphene, the hydrocarbons are fully adsorbed in the nanochannel, giving rise to full uptake. An increasing temperature plays an important role in unclogging, while pressure does not have a significant role. The results of our pioneering work contribute to a better understanding and highlight the important factors in alleviating the contamination and unclogging of nanochannels, which are in good agreement with the results of recent experiments.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 5.7
DOI: 10.1021/ACS.JPCLETT.2C03016
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“Metal-polymer heterojunction in colloidal-phase plasmonic catalysis”. Rogolino A, Claes N, Cizaurre J, Marauri A, Jumbo-Nogales A, Lawera Z, Kruse J, Sanroman-Iglesias M, Zarketa I, Calvo U, Jimenez-Izal E, Rakovich YP, Bals S, Matxain JM, Grzelczak M, The journal of physical chemistry letters 13, 2264 (2022). http://doi.org/10.1021/ACS.JPCLETT.1C04242
Abstract: Plasmonic catalysis in the colloidal phase requires robust surface ligands that prevent particles from aggregation in adverse chemical environments and allow carrier flow from reagents to nanoparticles. This work describes the use of a water-soluble conjugated polymer comprising a thiophene moiety as a surface ligand for gold nanoparticles to create a hybrid system that, under the action of visible light, drives the conversion of the biorelevant NAD+ to its highly energetic reduced form NADH. A combination of advanced microscopy techniques and numerical simulations revealed that the robust metal-polymer heterojunction, rich in sulfonate functional groups, directs the interaction of electron-donor molecules with the plasmonic photocatalyst. The tight binding of polymer to the gold surface precludes the need for conventional transition-metal surface cocatalysts, which were previously shown to be essential for photocatalytic NAD(+) reduction but are known to hinder the optical properties of plasmonic nanocrystals. Moreover, computational studies indicated that the coating polymer fosters a closer interaction between the sacrificial electron-donor triethanolamine and the nanoparticles, thus enhancing the reactivity.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 5.7
Times cited: 1
DOI: 10.1021/ACS.JPCLETT.1C04242
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“Unlocking the genomic potential of aerobes and phototrophs for the production of nutritious and palatable microbial food without arable land or fossil fuels”. Alloul A, Spanoghe J, Machado D, Vlaeminck SE, Microbial biotechnology 15, 6 (2022). http://doi.org/10.1111/1751-7915.13747
Abstract: The increasing world population and living standards urgently necessitate the transition towards a sustainable food system. One solution is microbial protein, i.e. using microbial biomass as alternative protein source for human nutrition, particularly based on renewable electron and carbon sources that do not require arable land. Upcoming green electrification and carbon capture initiatives enable this, yielding new routes to H2, CO2 and CO2-derived compounds like methane, methanol, formic- and acetic acid. Aerobic hydrogenotrophs, methylotrophs, acetotrophs and microalgae are the usual suspects for nutritious and palatable biomass production on these compounds. Interestingly, these compounds are largely un(der)explored for purple non-sulfur bacteria, even though these microbes may be suitable for growing aerobically and phototrophically on these substrates. Currently, selecting the best strains, metabolisms and cultivation conditions for nutritious and palatable microbial food mainly starts from empirical growth experiments, and mostly does not stretch beyond bulk protein. We propose a more target-driven and efficient approach starting from the genome-embedded potential to tuning towards, for instance, essential amino- and fatty acids, vitamins, taste,... Genome-scale metabolic models combined with flux balance analysis will facilitate this, narrowing down experimental variations and enabling to get the most out of the 'best' combinations of strain and electron and carbon sources.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.7
DOI: 10.1111/1751-7915.13747
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“Single layer graphene controlled surface and bulk indentation plasticity in copper”. Bahrami F, Hammad M, Fivel M, Huet B, D'Haese C, Ding L, Nysten B, Idrissi H, Raskin JP, Pardoen T, International Journal Of Plasticity 138, 102936 (2021). http://doi.org/10.1016/J.IJPLAS.2021.102936
Abstract: The impact of graphene reinforcement on the mechanical properties of metals has been a subject of intense investigation over the last decade in surface applications to mitigate the impact of tribological loadings or for strengthening purposes when dispersed into a bulk material. Here, the effect on the plastic indentation response of a single graphene layer grown on copper is analyzed for two configurations: one with graphene at the surface, the other with graphene sandwiched under a 100 nm thick copper cap layer. Nanoindentation under both displacement and load control conditions show both earlier and shorter pop-in excursions compared to systems without graphene. Atomic force microscopy reveals much smoother pile-ups with no slip traces in the presence of a surface graphene layer. The configuration with the intercalated graphene layer appears as an ideal elementary system to address bulk hardening mechanisms by indentation testing. Transmission electron microscopy (TEM) cross-sections below indents show more diffuse and homogeneous dislocation activity in the presence of graphene. 3D dislocation dynamics simulations allow unraveling of the origin of these 3D complex phenomena and prove that the collective dislocation mechanisms are dominantly controlled by the strong back stress caused by the graphene barrier. These results provide a quantitative understanding of the impact of graphene on dislocation mechanisms for both surface and bulk applications, but with an impact that is not as large as anticipated from other studies or general literature claims.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.702
DOI: 10.1016/J.IJPLAS.2021.102936
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“Transmission electron microscopy investigation of dislocation slip during superelastic cycling of NiTi wires”. Delville R, Malard B, Pilch J, Sittner P, Schryvers D, International journal of plasticity 27, 282 (2011). http://doi.org/10.1016/j.ijplas.2010.05.005
Abstract: Superelastic deformation of thin NiTi wires containing various nanograined microstructures was investigated by tensile cyclic loading with in situ evaluation of electric resistivity. Defects created by the superelastic cycling in these wires were analyzed by transmission electron microscopy. The role of dislocation slip in superelastic deformation is discussed. NiTi wires having finest microstructures (grain diameter <100 nm) are highly resistant against dislocation slip, while those with fully recrystallized microstructure and grain size exceeding 200 nm are prone to dislocation slip. The density of the observed dislocation defects increases significantly with increasing grain size. The upper plateau stress of the superelastic stressstrain curves is largely grain size independent from 10 up to 1000 nm. It is hence claimed that the HallPetch relationship fails for the stress-induced martensitic transformation in this grain size range. It is proposed that dislocation slip taking place during superelastic cycling is responsible for the accumulated irreversible strains, cyclic instability and degradation of functional properties. No residual martensite phase was found in the microstructures of superelastically cycled wires by TEM and results of the in situ electric resistance measurements during straining also indirectly suggest that none or very little martensite phase remains in the studied cycled superelastic wires after unloading. The accumulation of dislocation defects, however, does not prevent the superelasticity. It only affects the shape of the stressstrain response, makes it unstable upon cycling and changes the deformation mode from localized to homogeneous. The activity of dislocation slip during superelastic deformation of NiTi increases with increasing test temperature and ultimately destroys the superelasticity as the plateau stress approaches the yield stress for slip. Deformation twins in the austenite phase ({1 1 4} compound twins) were frequently found in cycled wires having largest grain size. It is proposed that they formed in the highly deformed B19′ martensite phase during forward loading and are retained in austenite after unloading. Such twinning would represent an additional deformation mechanism of NiTi yielding residual irrecoverable strains.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.702
Times cited: 157
DOI: 10.1016/j.ijplas.2010.05.005
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