“Investigation of strain and doping on the electronic properties of single layers of C₆N₆, and C₆N₈: a first principles study”. Bafekry A, Nguyen C V, Goudarzi A, Ghergherehchi M, Shafieirad M, Rsc Advances 10, 27743 (2020). http://doi.org/10.1039/D0RA04463F
Abstract: In this work, by performing first-principles calculations, we explore the effects of various atom impurities on the electronic and magnetic properties of single layers of C(6)N(6)and C6N8. Our results indicate that atom doping may significantly modify the electronic properties. Surprisingly, doping Cr into a holey site of C(6)N(6)monolayer was found to exhibit a narrow band gap of 125 meV upon compression strain, considering the spin-orbit coupling effect. Also, a C atom doped in C(6)N(8)monolayer shows semi-metal nature under compression strains larger than -2%. Our results propose that Mg or Ca doped into strained C(6)N(6)may exhibit small band gaps in the range of 10-30 meV. In addition, a magnetic-to-nonmagnetic phase transition can occur under large tensile strains in the Ca doped C(6)N(8)monolayer. Our results highlight the electronic properties and magnetism of C(6)N(6)and C(6)N(8)monolayers. Our results show that the electronic properties can be effectively modified by atom doping and mechanical strain, thereby offering new possibilities to tailor the electronic and magnetic properties of C(6)N(6)and C(6)N(8)carbon nitride monolayers.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.9
Times cited: 11
DOI: 10.1039/D0RA04463F
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“Physicochemical and rheological properties of a transparent asphalt binder modified with nano-TiO₂”. Rocha Segundo I, Landi Jr S, Margaritis A, Pipintakos G, Freitas E, Vuye C, Blom J, Tytgat T, Denys S, Carneiro J, Nanomaterials 10, 2152 (2020). http://doi.org/10.3390/NANO10112152
Abstract: Transparent binder is used to substitute conventional black asphalt binder and to provide light-colored pavements, whereas nano-TiO2 has the potential to promote photocatalytic and self-cleaning properties. Together, these materials provide multifunction effects and benefits when the pavement is submitted to high solar irradiation. This paper analyzes the physicochemical and rheological properties of a transparent binder modified with 0.5%, 3.0%, 6.0%, and 10.0% nano-TiO2 and compares it to the transparent base binder and conventional and polymer modified binders (PMB) without nano-TiO2. Their penetration, softening point, dynamic viscosity, master curve, black diagram, Linear Amplitude Sweep (LAS), Multiple Stress Creep Recovery (MSCR), and Fourier Transform Infrared Spectroscopy (FTIR) were obtained. The transparent binders (base and modified) seem to be workable considering their viscosity, and exhibited values between the conventional binder and PMB with respect to rutting resistance, penetration, and softening point. They showed similar behavior to the PMB, demonstrating signs of polymer modification. The addition of TiO2 seemed to reduce fatigue life, except for the 0.5% content. Nevertheless, its addition in high contents increased the rutting resistance. The TiO2 modification seems to have little effect on the chemical functional indices. The best percentage of TiO2 was 0.5%, with respect to fatigue, and 10.0% with respect to permanent deformation.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Energy and Materials in Infrastructure and Buildings (EMIB)
Impact Factor: 5.3
DOI: 10.3390/NANO10112152
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“S,O-functionalized metal-organic frameworks as heterogeneous single-site catalysts for the oxidative alkenylation of arenes via C- H activation”. Van Velthoven N, Henrion M, Dallenes J, Krajnc A, Bugaev AL, Liu P, Bals S, Soldatov A, Mali G, De Vos DE, Acs Catalysis 10, 5077 (2020). http://doi.org/10.1021/ACSCATAL.0C00801
Abstract: Heterogeneous single-site catalysts can combine the R precise active site design of organometallic complexes with the efficient recovery of solid catalysts. Based on recent progress on homogeneous thioether ligands for Pd-catalyzed C-H activation reactions, we here develop a scalable metal-organic framework-based heterogeneous single-site catalyst containing S,O-moieties that increase the catalytic activity of Pd(II) for the oxidative alkenylation of arenes. The structure of the Pd@MOF-808-L1 catalyst was characterized in detail via solid-state nuclear magnetic resonance spectroscopy, N-2 physisorption, and high-angle annular dark field scanning transmission electron microscopy, and the structure of the isolated palladium active sites could be identified by X-ray absorption spectroscopy. A turnover frequency (TOF) of 8.4 h(-1) was reached after 1 h of reaction time, which was 3 times higher than the TOF of standard Pd(OAc)(2), ranking Pd@MOF-808-L1 among the most active heterogeneous catalysts ever reported for the nondirected oxidative alkenylation of arenes. Finally, we showed that the single-site catalyst promotes the oxidative alkenylation of a broad range of electron-rich arenes, and the applicability of this heterogeneous system was demonstrated by the gram-scale synthesis of industrially relevant products.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.9
Times cited: 37
DOI: 10.1021/ACSCATAL.0C00801
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“The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations”. Bafekry A, Shojai F, Hoat DM, Shahrokhi M, Ghergherehchi M, Nguyen C, Rsc Advances 10, 30398 (2020). http://doi.org/10.1039/D0RA05587E
Abstract: Herein, by using first-principles calculations, we demonstrate a two-dimensional (2D) of XSb (X = Si, Ge, and Sn) monolayers that have a honey-like crystal structure. The structural, mechanical, electronic, thermoelectric efficiency, and optical properties of XSb monolayers are studied.Ab initiomolecular dynamic simulations and phonon dispersion calculations suggests their good thermal and dynamical stabilities. The mechanical properties of XSb monolayers shows that the monolayers are considerably softer than graphene, and their in-plane stiffness decreases from SiSb to SnSb. Our results shows that the single layers of SiSb, GeSb and SnSb are semiconductor with band gap of 1.48, 0.77 and 0.73 eV, respectively. The optical analysis illustrate that the first absorption peaks of the SiSb, GeSb and SnSb monolayers along the in-plane polarization are located in visible range of light which may serve as a promising candidate to design advanced optoelectronic devices. Thermoelectric properties of the XSb monolayers, including Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor and figure of merit are calculated as a function of doping level at temperatures of 300 K and 800 K. Between the studied two-dimensional materials (2DM), SiSb single layer may be the most promising candidate for application in the thermoelectric generators.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.9
Times cited: 2
DOI: 10.1039/D0RA05587E
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“Two-dimensional silicon bismotide (SiBi) monolayer with a honeycomb-like lattice: first-principles study of tuning the electronic properties”. Bafekry A, Shojaei F, Obeid MM, Ghergherehchi M, Nguyen C, Oskouian M, Rsc Advances 10, 31894 (2020). http://doi.org/10.1039/D0RA05026A
Abstract: Using density functional theory, we investigate a novel two-dimensional silicon bismotide (SiBi) that has a layered GaSe-like crystal structure.Ab initiomolecular dynamic simulations and phonon dispersion calculations suggest its good thermal and dynamical stability. The SiBi monolayer is a semiconductor with a narrow indirect bandgap of 0.4 eV. Our results show that the indirect bandgap decreases as the number of layers increases, and when the number of layers is more than six layers, direct-to-indirect bandgap switching occurs. The SiBi bilayer is found to be very sensitive to an E-field. The bandgap monotonically decreases in response to uniaxial and biaxial compressive strain, and reaches 0.2 eV at 5%, while at 6%, the semiconductor becomes a metal. For both uniaxial and biaxial tensile strains, the material remains a semiconductor and indirect-to-direct bandgap transition occurs at a strain of 3%. Compared to a SiBi monolayer with a layer thickness of 4.89 angstrom, the bandgap decreases with either increasing or decreasing layer thickness, and at a thicknesses of 4.59 to 5.01 angstrom, the semiconductor-to-metal transition happens. In addition, under pressure, the semiconducting character of the SiBi bilayer with a 0.25 eV direct bandgap is preserved. Our results demonstrate that the SiBi nanosheet is a promising candidate for designing high-speed low-dissipation devices.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.9
Times cited: 8
DOI: 10.1039/D0RA05026A
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“Water structures and packing efficiency in methylene blue cyanometallate salts”. Canossa S, Graiff C, Crocco D, Predieri G, Crystals 10, 558 (2020). http://doi.org/10.3390/CRYST10070558
Abstract: Crystal structure prediction is the holy grail of crystal engineering and is key to its ambition of driving the formation of solids based on the selection of their molecular constituents. However, this noble quest is hampered by the limited predictability of the incorporation of solvent molecules, first and foremost the ubiquitous water. In this context, we herein report the structure of four methylene blue cyanometallate phases, where anions with various shapes and charges influence the packing motif and lead to the formation of differently hydrated structures. Importantly, water molecules are observed to play various roles as isolated fillings, dimers, or an infinite network with up to 13 water molecules per repeating unit. Each crystal structure has been determined by single-crystal X-ray diffraction and evaluated with the aid of Hirshfeld surface analysis, focussing on the role of water molecules and the hierarchy of different classes of interactions in the overall supramolecular landscape of the crystals. Finally, the collected pieces of evidence are matched together to highlight the leading role of MB stacking and to derive an explanation for the observed hydration diversity based on the structural role of water molecules in the crystal architecture.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.566
DOI: 10.3390/CRYST10070558
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“Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst”. Zhang Y, Qin S, Claes N, Schilling W, Sahoo PK, Ching HYV, Jaworski A, Lemière F, Slabon A, Van Doorslaer S, Bals S, Das S, ACS Sustainable Chemistry and Engineering 10, 530 (2022). http://doi.org/10.1021/acssuschemeng.1c07026
Abstract: Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free
heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental
evidence.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY)
Impact Factor: 8.4
Times cited: 24
DOI: 10.1021/acssuschemeng.1c07026
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“Agricultural technical efficiency of smallholder farmers in Ethiopia : a stochastic frontier approach”. Chekol Zewdie M, Moretti M, Tenessa DB, Ayele ZA, Nyssen J, Tsegaye EA, Minale AS, Van Passel S, Land 10, 246 (2021). http://doi.org/10.3390/LAND10030246
Abstract: In the past decade, to improve crop production and productivity, Ethiopia has embarked on an ambitious irrigation farming expansion program and has introduced new large- and small-scale irrigation initiatives. However, in Ethiopia, poverty remains a challenge, and crop productivity per unit area of land is very low. Literature on the technical efficiency (TE) of large-scale and small-scale irrigation user farmers as compared to the non-user farmers in Ethiopia is also limited. Investigating smallholder farmers' TE level and its principal determinants is very important to increase crop production and productivity and to improve smallholder farmers' livelihood and food security. Using 1026 household-level cross-section data, this study adopts a technology flexible stochastic frontier approach to examine agricultural TE of large-scale irrigation users, small-scale irrigation users and non-user farmers in Ethiopia. The results indicate that, due to poor extension services and old-style agronomic practices, the mean TE of farmers is very low (44.33%), implying that there is a wider room for increasing crop production in the study areas through increasing the TE of smallholder farmers without additional investment in novel agricultural technologies. Results also show that large-scale irrigation user farmers (21.05%) are less technically efficient than small-scale irrigation user farmers (60.29%). However, improving irrigation infrastructure shifts the frontier up and has a positive impact on smallholder farmers' output.
Keywords: A1 Journal article; Engineering Management (ENM)
DOI: 10.3390/LAND10030246
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“Modulating the Antioxidant Response for Better Oxidative Stress-Inducing Therapies: How to Take Advantage of Two Sides of the Same Medal?”.Shaw P, Kumar N, Sahun M, Smits E, Bogaerts A, Privat-Maldonado A, Biomedicines 10, 823 (2022). http://doi.org/10.3390/biomedicines10040823
Abstract: Oxidative stress-inducing therapies are characterized as a specific treatment that involves the production of reactive oxygen and nitrogen species (RONS) by external or internal sources. To protect cells against oxidative stress, cells have evolved a strong antioxidant defense system to either prevent RONS formation or scavenge them. The maintenance of the redox balance ensures signal transduction, development, cell proliferation, regulation of the mechanisms of cell death, among others. Oxidative stress can beneficially be used to treat several diseases such as neurodegenerative disorders, heart disease, cancer, and other diseases by regulating the antioxidant system. Understanding the mechanisms of various endogenous antioxidant systems can increase the therapeutic efficacy of oxidative stress-based therapies, leading to clinical success in medical treatment. This review deals with the recent novel findings of various cellular endogenous antioxidant responses behind oxidative stress, highlighting their implication in various human diseases, such as ulcers, skin pathologies, oncology, and viral infections such as SARS-CoV-2.
Keywords: A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
DOI: 10.3390/biomedicines10040823
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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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“The dark halo technique in the oeuvre of Michael Sweerts and other Flemish and Dutch baroque painters. A 17th c. empirical solution to mitigate the optical 'simultaneous contrast' effect?”.Derks K, van der Snickt G, Legrand S, van der Stighelen K, Janssens K, Heritage science 10, 5 (2022). http://doi.org/10.1186/S40494-021-00634-W
Abstract: Although the topic is rarely addressed in literature, a significant number of baroque paintings exhibit dark, halo-like shapes around the contours of the dramatis personae. Close examination of both finished and unfinished works suggests that this intriguing feature was a practical tool that helped the artist in the early painting stages. When applying the final brushwork, the halo lost its function, with some artists undertaking efforts to hide it. Although their visibility might not have been intended by the artists, today this dark paint beneath the surface is partially visible through the upper paint layers. Moreover, the disclosure of many halos using infrared photography (IRP), infrared reflectography (IRR) and macro X-ray fluorescence imaging (MA-XRF), additional to those that can be observed visually, suggests that this was a common and established element of 17th-century painting practice in Western Europe. Building on an existing hypothesis, we argue that halos can be considered as a solution to an optical problem that arose when baroque painters reversed the traditional, 15th- and 16th-century painting sequence of working from background to foreground. Instead, they started with the dominant parts of a composition, such as the face of a sitter. In that case, a temporary halo can provide the essential tonal reference to anticipate the chromatic impact of the final dark colored background on the adjacent delicate carnations. In particular, we attempt to clarify the prevalence of dark halos as a response to optical effects such as 'simultaneous contrast' and 'the crispening effect', described in literature only centuries later. As such, the recently termed 'ring condition' can be seen as the present-day equivalent of the 'halo solution' that was seemingly empirically or intuitively developed by 17th-century artists. Modern studies in visual perception proves that by laying a black ring around a target color, the optical impact of a surrounding color can be efficiently neutralized. Finally, by delving into works by Michael Sweerts, it becomes clear that resourceful artists might have adapted the halo technique and the underlying principles to their individual challenges, such as dealing with differently colored grounds.
Keywords: A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 2.5
DOI: 10.1186/S40494-021-00634-W
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“Grand challenges in low temperature plasmas”. Lu XP, Bruggeman PJ, Reuter S, Naidis G, Bogaerts A, Laroussi M, Keidar M, Robert E, Pouvesle J-M, Liu DW, Ostrikov K(K), Frontiers in physics 10, 1040658 (2022). http://doi.org/10.3389/FPHY.2022.1040658
Abstract: Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.1
DOI: 10.3389/FPHY.2022.1040658
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“A distinct correlation between the vibrational and thermal transport properties of group VA monolayer crystals”. Kocabas T, Cakir D, Gulseren O, Ay F, Perkgoz NK, Sevik C, Nanoscale 10, 7803 (2018). http://doi.org/10.1039/C7NR09349G
Abstract: The investigation of thermal transport properties of novel two-dimensional materials is crucially important in order to assess their potential to be used in future technological applications, such as thermoelectric power generation. In this respect, the lattice thermal transport properties of the monolayer structures of group VA elements (P, As, Sb, Bi, PAs, PSb, PBi, AsSb, AsBi, SbBi, P3As1, P3Sb1, P1As3, and As3Sb1) with a black phosphorus like puckered structure were systematically investigated by first-principles calculations and an iterative solution of the phonon Boltzmann transport equation. Phosphorene was found to have the highest lattice thermal conductivity, , due to its low average atomic mass and strong interatomic bonding character. As a matter of course, anisotropic was obtained for all the considered materials, owing to anisotropy in frequency values and phonon group velocities calculated for these structures. However, the determined linear correlation between the anisotropy in the values of P, As, and Sb is significant. The results corresponding to the studied compound structures clearly point out that thermal (electronic) conductivity of pristine monolayers might be suppressed (improved) by alloying them with the same group elements. For instance, the room temperature of PBi along the armchair direction was predicted to be as low as 1.5 W m(-1) K-1, whereas that of P was predicted to be 21 W m(-1) K-1. In spite of the apparent differences in structural and vibrational properties, we peculiarly revealed an intriguing correlation between the values of all the considered materials as = c(1) + c(2)/m(2), in particular along the zigzag direction. Furthermore, our calculations on compound structures clearly showed that the thermoelectric potential of these materials can be improved by suppressing their thermal properties. The presence of ultra-low values and high electrical conductivity (especially along the armchair direction) makes this class of monolayers promising candidates for thermoelectric applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1039/C7NR09349G
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“A robust nitrifying community in a bioreactor at 50 degrees C opens up the path for thermophilic nitrogen removal”. Courtens ENP, Spieck E, Vilchez-Vargas R, Bode S, Boeckx P, Schouten S, Jauregui R, Pieper DH, Vlaeminck SE, Boon N, The ISME journal : multidisciplinary journal of microbial ecology 10, 2293 (2016). http://doi.org/10.1038/ISMEJ.2016.8
Abstract: The increasing production of nitrogen-containing fertilizers is crucial to meet the global food demand, yet high losses of reactive nitrogen associated with the food production/consumption chain progressively deteriorate the natural environment. Currently, mesophilic nitrogen-removing microbes eliminate nitrogen from wastewaters. Although thermophilic nitrifiers have been separately enriched from natural environments, no bioreactors are described that couple these processes for the treatment of nitrogen in hot wastewaters. Samples from composting facilities were used as inoculum for the batch-wise enrichment of thermophilic nitrifiers (350 days). Subsequently, the enrichments were transferred to a bioreactor to obtain a stable, high-rate nitrifying process (560 days). The community contained up to 17% ammonia-oxidizing archaea (AOAs) closely related to 'Candidatus Nitrososphaera gargensis', and 25% nitrite-oxidizing bacteria (NOBs) related to Nitrospira calida. Incorporation of C-13-derived bicarbonate into the respective characteristic membrane lipids during nitrification supported their activity as autotrophs. Specific activities up to 198 +/- 10 and 894 +/- 81 mg N g(-1) VSS per day for AOAs and NOBs were measured, where NOBs were 33% more sensitive to free ammonia. The NOBs were extremely sensitive to free nitrous acid, whereas the AOAs could only be inhibited by high nitrite concentrations, independent of the free nitrous acid concentration. The observed difference in product/substrate inhibition could facilitate the development of NOB inhibition strategies to achieve more cost-effective processes such as deammonification. This study describes the enrichment of autotrophic thermophilic nitrifiers from a nutrient-rich environment and the successful operation of a thermophilic nitrifying bioreactor for the first time, facilitating opportunities for thermophilic nitrogen removal biotechnology.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1038/ISMEJ.2016.8
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“Airborne particulate matter and BTEX in office environments”. Horemans B, Worobiec A, Buczyńska A, van Meel K, Van Grieken R, Journal of environmental monitoring 10, 867 (2008). http://doi.org/10.1039/B804475A
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1039/B804475A
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“Atmospheric turbulence triggers pronounced diel pattern in karst carbonate geochemistry”. Roland M, Serrano-Ortiz P, Kowalski AS, Van Grieken R, Janssens IA, et al, Biogeosciences 10, 5009 (2013). http://doi.org/10.5194/BG-10-5009-2013
Abstract: CO2 exchange between terrestrial ecosystems and the atmosphere is key to understanding the feedbacks between climate change and the land surface. In regions with carbonaceous parent material, CO2 exchange patterns occur that cannot be explained by biological processes, such as disproportionate outgassing during the daytime or night-time CO2 uptake during periods when all vegetation is senescent. Neither of these phenomena can be attributed to carbonate weathering reactions, since their CO2 exchange rates are too small. Soil ventilation induced by high atmospheric turbulence is found to explain atypical CO2 exchange between carbonaceous systems and the atmosphere. However, by strongly altering subsurface CO2 concentrations, ventilation can be expected to influence carbonate weathering rates. By imposing ventilation-driven CO2 outgassing in a carbonate weathering model, we show here that carbonate geochemistry is accelerated and does play a surprisingly large role in the observed CO2 exchange pattern of a semi-arid ecosystem. We found that by rapidly depleting soil CO2 during the daytime, ventilation disturbs soil carbonate equilibria and therefore strongly magnifies daytime carbonate precipitation and associated CO2 production. At night, ventilation ceases and the depleted CO2 concentrations increase steadily. Dissolution of carbonate is now enhanced, which consumes CO2 and largely compensates for the enhanced daytime carbonate precipitation. This is why only a relatively small effect on global carbonate weathering rates is to be expected. On the short term, however, ventilation has a drastic effect on synoptic carbonate weathering rates, resulting in a pronounced diel pattern that exacerbates the non-biological behavior of soil-atmosphere CO2 exchanges in dry regions with carbonate soils.
Keywords: A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.5194/BG-10-5009-2013
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“Benzene concentrations on board chemical tankers”. Jacobs W, Dubois D, Floren E, Aerts D, Goris J, Buczyńska A, Van Grieken R, WMU journal of maritime affairs 10, 117 (2011). http://doi.org/10.1007/S13437-010-0002-6
Abstract: Maritime transport of benzene is regulated by the International Maritime Organisation (IMO). Two important guidelines for a ships crew in this matter are IMO circulars 1095 and 1220. The first one describes the minimum safety standards for ships carrying liquids in bulk containing benzene while circular 1220 deals with structural guidelines for new ships carrying liquids in bulk containing benzene, but also technical developments could help in improving safety and health protection on board chemical tankers carrying benzene in bulk. The aim of the present paper is to determine the benzene concentration in the working and living environment on board a modern chemical tanker carrying benzene in bulk, where all safety, technical and operational procedures described by IMO in the above-mentioned circulars are followed. During specific cargo operations, we measured the benzene concentrations on different locations on board by means of Radiello® passive diffusive samplers. Despite all measures taken, we found an important difference in benzene concentration between operations with a benzene cargo compared to operations without benzene on board, as well as inside and outside the accommodation. Moreover, even during discharge operations, where the emission is theoretically zero, we found an important increase in the benzene concentration. In addition, we found less favourable results for the engine room.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/S13437-010-0002-6
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“Cluster analysis of IR thermography data for differentiating glass types in historical leaded-glass windows”. Hillen M, Legrand S, Dirkx Y, Janssens K, van der Snickt G, Caen J, Steenackers G, Applied Sciences-Basel 10, 4255 (2020). http://doi.org/10.3390/APP10124255
Abstract: Infrared thermography is a fast, non-destructive and contactless testing technique which is increasingly used in heritage science. The aim of this study was to assess the ability of infrared thermography, in combination with a data clustering approach, to differentiate between the different types of historical glass that were included in a colorless leaded-glass windows during previous restoration interventions. Inspection of the thermograms and the application of two data mining techniques on the thermal data, i.e., k-means clustering and hierarchical clustering, allowed identifying different groups of window panes that show a different thermal behavior. Both clustering approaches arrive at similar groupings of the glass with a clear separation of three types. However, the lead cames that hold the glass panes appear to have a substantial impact on the thermal behavior of the surrounding glass, thus preventing classification of the smallest glass panes. For the larger panes, this was not a critical issue as the center of the glass remained unaffected. Subtle visual color differences between panes, implying a variation in coloring metal ions, was not always distinguished by IRT. Nevertheless, data clustering assisted infrared thermography shows potential as an efficient and swift method for documenting the material intervention history of leaded-glass windows during or in preparation of conservation treatments.
Keywords: A1 Journal article; Engineering sciences. Technology; Antwerp Cultural Heritage Sciences (ARCHES); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 2.7
DOI: 10.3390/APP10124255
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“Comparison between direct current and radiofrequency glow discharge mass spectrometry for the analysis of oxide-based samples”. de Gendt S, Van Grieken R, Hang W, Harrison WW, Journal of analytical atomic spectrometry 10, 689 (1995). http://doi.org/10.1039/JA9951000689
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/JA9951000689
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“Contact sponge method : performance of a promising tool for measuring the initial water absorption”. Vandevoorde D, Pamplona M, Schalm O, Vanhellemont Y, Cnudde V, Verhaeven E, Journal of cultural heritage 10, 41 (2009). http://doi.org/10.1016/J.CULHER.2008.10.002
Abstract: Porous limestone and mortar are able to absorb large quantities of water. This phenomenon will accelerate the deterioration of the material. In such cases, the material might be treated with a hydrophobic product, which creates a superficial layer that hampers the penetration of water. In order to decide if such a treatment should be applied or not, the water absorbing behaviour of the material should be measured. With the same measuring technique the efficiency of the hydrophobic barrier can be evaluated. Moreover, it allows the monitoring of such barriers as a function of time. At the same time, the water absorption of porous stone material is an indication of the degree of deterioration and its sensitivity to future deterioration. Up to now, two different measuring techniques exist, but one can only be used in laboratory and the other, which can be operated in laboratory as well as in situ, is not always reliable for in situ analyses. This article proposes an alternative method: the contact sponge method. This recently developed method was tested on non-treated porous stone materials in a laboratory environment in order to evaluate its performance in comparison with the two existing methods.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.CULHER.2008.10.002
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“Desorption-ionization of inorganic compounds in Fourier transform laser microprobe mass spectrometry with external ion source”. Struyf H, Van Vaeck L, Van Grieken R, Rapid communications in mass spectrometry 10, 551 (1996). http://doi.org/10.1002/(SICI)1097-0231(19960331)10:5<551::AID-RCM414>3.0.CO;2-S
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/(SICI)1097-0231(19960331)10:5<551::AID-RCM414>3.0.CO;2-S
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“Geophysical applicability of aerosol size distribution measurements using cascade impactors and proton-induced X-ray-emission”. Van Grieken RE, Johansson TB, Akselsson KR, Winchester JW, Nelson JW, Chapman KR, Atmospheric environment : an international journal 10, 571 (1976). http://doi.org/10.1016/0004-6981(76)90040-8
Abstract: Proton Induced X-ray Emission, (PIXE), is capable of high precision analysis for trace element components of aerosol particle size fractions sampled by cascade impactor. A statistical evaluation of data quality has been carried out in order to distinguish between analytical uncertainties in the PIXE procedure, errors caused by cascade impactor performance and by other factors in the sampling procedure, and geophysical causes of differences in composition and particle size distributions of the elements in aerosols. Replicate analyses and simultaneous samplings taken in north Florida and St. Louis have been used for the data evaluation. In addition to the analytical error the sampling procedure contributes an error of ~ 10% to be added quadratically. The resulting precision is sufficient to evaluate the data in geophysical terms. This is illustrated by means of sample sets taken simultaneously in an urban, forest and coastal environment of the same region.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0004-6981(76)90040-8
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“An innovative air purification method and neural network algorithm applied to urban streets”. Boumahdi M, El Amrani C, Denys S, International journal of embedded and real-time communication systems 10, 1 (2019). http://doi.org/10.4018/IJERTCS.2019100101
Abstract: In the present work, multiphysics modeling was used to investigate the feasibility of a photocatalysis-based outdoor air purifying solution that could be used in high polluted streets, especially street canyons. The article focuses on the use of a semi-active photocatalysis in the surfaces of the street as a solution to remove anthropogenic pollutants from the air. The solution is based on lamellae arranged horizontally on the wall of the street, coated with a photocatalyst (TiO2), lightened with UV light, with a dimension of 8 cm × 48 cm × 1 m. Fans were used in the system to create airflow. A high purification percentage was obtained. An artificial neural network (ANN) was used to predict the optimal purification method based on previous simulations, to design purification strategies considering the energy cost. The ANN was used to forecast the amount of purified with a feed-forward neural network and a backpropagation algorithm to train the model.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.4018/IJERTCS.2019100101
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“Mass and ionic composition of atmospheric fine particles over Belgium and their relation with gaseous air pollutants”. Bencs L, Ravindra K, de Hoog J, Rasoazanany EO, Deutsch F, Bleux N, Berghmans P, Roekens E, Krata A, Van Grieken R, Journal of environmental monitoring 10, 1148 (2008). http://doi.org/10.1039/B805157G
Abstract: Mass, major ionic components (MICs) of PM2.5, and related gaseous pollutants (SO2, NOx, NH3, HNO2, and HNO3) were monitored over six locations of different anthropogenic influence (industrial, urban, suburban, and rural) in Belgium. SO42-, NO3-, NH4+, and Na+ were the primary ions of PM2.5 with averages diurnal concentrations ranging from 0.44.5, 0.37.6, 0.94.9, and 0.41.2 µg m-3, respectively. MICs formed 39% of PM2.5 on an average, but it could reach up to 8098%. The SO2, NO, NO2, HNO2, and HNO3 levels showed high seasonal and site-specific fluctuations. The NH3 levels were similar over all the sites (26 µg m-3), indicating its relation to the evenly distributed animal husbandry activities. The sulfur and nitrogen oxidation ratios for PM2.5 point towards a low-to-moderate formation of secondary sulfate and nitrate aerosols over five cities/towns, but their fairly intensive formation over the rural Wingene. Cluster analysis revealed the association of three groups of compounds in PM2.5: (i) NH4NO3, KNO3; (ii) Na2SO4; and (iii) MgCl2, CaCl2, MgF2, CaF2, corresponding to anthropogenic, sea-salt, and mixed (sea-salt + anthropogenic) aerosols, respectively. The neutralization and cation-to-anion ratios indicate that MICs of PM2.5 appeared mostly as (NH4)2SO4 and NH4NO3 salts. Sea-salt input was maximal during winter reaching up to 12% of PM2.5. The overall average Cl-loss for sea-salt particles of PM2.5 at the six sites varied between 69 and 96% with an average of 87%. Principal component analysis revealed vehicular emission, coal/wood burning and animal farming as the dominating sources for the ionic components of PM2.5.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/B805157G
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“Phosphorus, calcium and lead distribution in collagen in lead induced soft tissue calcification : an ultrastructural and X-ray microanalytical study”. Vandeputte DF, Jacob WA, Van Grieken RE, Matrix 10, 33 (1990). http://doi.org/10.1016/S0934-8832(11)80135-6
Abstract: Repeated intraperitoneal injections of lead acetate in rats caused a calcification of the skin of the abdomen near the site of the injections. In the lead-induced calcifications, electron dense collagen bundles could be observed. On the surface of the collagen fibrils, needle-like crystals were visible. With energy-dispersive X-ray analysis, phosphorus, calcium and lead were detected in the electron dense collagen bundles. X-ray maps of the P-Kα, Ca-Kα, and Pb-Lα plus Pb-Lβ lines showed an equivalent distribution along the collagen fibrils for phosphorus and calcium. The occurrence of the most electron dense areas in the STEM-image was comparable to the lead distribution. A good correlation existed between the structural and the elemental images of the same area. Although the medicinal use of preparations containing lead is no longer recommended, some are still prescribed. From our results we can conclude that they should not be applied to injured or inflamed skin.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/S0934-8832(11)80135-6
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“Proportional relationship between leaf area and the product of leaf length and width of four types of special leaf shapes”. Shi P, Liu M, Yu X, Gielis J, Ratkowsky DA, Forests (19994907) 10, 178 (2019). http://doi.org/10.3390/F10020178
Abstract: The leaf area, as an important leaf functional trait, is thought to be related to leaf length and width. Our recent study showed that the Montgomery equation, which assumes that leaf area is proportional to the product of leaf length and width, applied to different leaf shapes, and the coefficient of proportionality (namely the Montgomery parameter) range from 1/2 to π/4. However, no relevant geometrical evidence has previously been provided to support the above findings. Here, four types of representative leaf shapes (the elliptical, sectorial, linear, and triangular shapes) were studied. We derived the range of the estimate of the Montgomery parameter for every type. For the elliptical and triangular leaf shapes, the estimates are π/4 and 1/2, respectively; for the linear leaf shape, especially for the plants of Poaceae that can be described by the simplified Gielis equation, the estimate ranges from 0.6795 to π/4; for the sectorial leaf shape, the estimate ranges from 1/2 to π/4. The estimates based on the observations of actual leaves support the above theoretical results. The results obtained here show that the coefficient of proportionality of leaf area versus the product of leaf length and width only varies in a small range, maintaining the allometric relationship for leaf area and thereby suggesting that the proportional relationship between leaf area and the product of leaf length and width broadly remains stable during leaf evolution.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.3390/F10020178
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“Quantitative analysis of iron-rich and other oxide-based samples by means of glow discharge mass spectrometry”. de Gendt S, Schelles W, Van Grieken R, Müller V, Journal of analytical atomic spectrometry 10, 681 (1995). http://doi.org/10.1039/JA9951000681
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/JA9951000681
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“Sample damage during X-ray fluorescence analysis: case study on ammonium salts in atmospheric aerosols”. van Meel K, Worobiec A, Stranger M, Van Grieken R, Journal of environmental monitoring 10, 989 (2008). http://doi.org/10.1039/B807909A
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1039/B807909A
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“Spectroscopy and ion chromatography to study the effects of air pollution on historical buildings”. Van Grieken R, Roekens E, Sweevers H, Vleugels G, Spectroscopy 10, 70 (1989)
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“13C incorporation as a tool to estimate biomass yields in thermophilic and mesophilic nitrifying communities”. Vandekerckhove TGL, Bodé, S, De Mulder C, Vlaeminck SE, Boon N, Frontiers in microbiology 10, 192 (2019). http://doi.org/10.3389/FMICB.2019.00192
Abstract: Current methods determining biomass yield require sophisticated sensors for in situ measurements or multiple steady-state reactor runs. Determining the yield of specific groups of organisms in mixed cultures in a fast and easy manner remains challenging. This study describes a fast method to estimate the maximum biomass yield (Ymax), based on 13C incorporation during activity measurements. It was applied to mixed cultures containing ammonia oxidizing bacteria (AOB) or archaea (AOA) and nitrite oxidizing bacteria (NOB), grown under mesophilic (1528∘C) and thermophilic (50∘C) conditions. Using this method, no distinction could be made between AOB and AOA co-existing in a community. A slight overestimation of the nitrifier biomass due to 13C redirection via SMP to heterotrophs could occur, meaning that this method determines the carbon fixation activity of the autotrophic microorganisms rather than the actual nitrifier biomass yield. Thermophilic AOA yields exceeded mesophilic AOB yields (0.22 vs. 0.060.11 g VSS g-1 N), possibly linked to a more efficient pathway for CO2 incorporation. NOB thermophilically produced less biomass (0.0250.028 vs. 0.0480.051 g VSS g-1 N), conceivably attributed to higher maintenance requirement, rendering less energy available for biomass synthesis. Interestingly, thermophilic nitrification yield was higher than its mesophilic counterpart, due to the dominance of AOA over AOB at higher temperatures. An instant temperature increase impacted the mesophilic AOB yield, corroborating the effect of maintenance requirement on production capacity. Model simulations of two realistic nitrification/denitrification plants were robust toward changing nitrifier yield in predicting effluent ammonium concentrations, whereas sludge composition was impacted. Summarized, a fast, precise and easily executable method was developed determining Ymax of ammonia and nitrite oxidizers in mixed communities.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.3389/FMICB.2019.00192
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