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Author Marimuthu, P.; Razzokov, J.; Singaravelu, K.; Bogaerts, A.
Title Predicted Hotspot Residues Involved in Allosteric Signal Transmission in Pro-Apoptotic Peptide—Mcl1 Complexes Type A1 Journal article
Year 2020 Publication Biomolecules Abbreviated Journal Biomolecules
Volume 10 Issue (down) 8 Pages 1114
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Mcl1 is a primary member of the Bcl–2 family—anti–apoptotic proteins (AAP)—that is overexpressed in several cancer pathologies. The apoptotic regulation is mediated through the binding of pro-apoptotic peptides (PAPs) (e.g., Bak and Bid) at the canonical hydrophobic binding groove (CBG) of Mcl1. Although all PAPs form amphipathic α-helices, their amino acid sequences vary to different degree. This sequence variation exhibits a central role in the binding partner selectivity towards different AAPs. Thus, constructing a novel peptide or small organic molecule with the ability to mimic the natural regulatory process of PAP is essential to inhibit various AAPs. Previously reported experimental binding free energies (BFEs) were utilized in the current investigation aimed to understand the mechanistic basis of different PAPs targeted to mMcl1. Molecular dynamics (MD) simulations used to estimate BFEs between mMcl1—PAP complexes using Molecular Mechanics-Generalized Born Solvent Accessible (MMGBSA) approach with multiple parameters. Predicted BFE values showed an excellent agreement with the experiment (R2 = 0.92). The van–der Waals (ΔGvdw) and electrostatic (ΔGele) energy terms found to be the main energy components that drive heterodimerization of mMcl1—PAP complexes. Finally, the dynamic network analysis predicted the allosteric signal transmission pathway involves more favorable energy contributing residues. In total, the results obtained from the current investigation may provide valuable insights for the synthesis of a novel peptide or small organic inhibitor targeting Mcl1.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000578895600001 Publication Date 2020-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2218-273X ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes P.M. gratefully acknowledges the use of the bioinformatics infrastructure facility supported by Biocenter Finland and the CSC-IT Center for Science (Project: 2000461) for the computational facility; Jukka Lehtonen for the IT support; Mark Johnson (SBL) Åbo Akademi University for providing the lab support and Outi Salo-Ahen (Pharmacy) Åbo Akademi University and Olli T. Pentikäinen (Institute of Biomedicine) University of Turku, for their valuable support and discussion. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:170486 Serial 6396
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Author Gropp, C.; Canossa, S.; Wuttke, S.; Gándara, F.; Li, Q.; Gagliardi, L.; Yaghi, O.M.
Title Standard Practices of Reticular Chemistry Type A1 Journal article
Year 2020 Publication Acs Central Science Abbreviated Journal Acs Central Sci
Volume 6 Issue (down) 8 Pages 1255-1273
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Since 1995 when the first of metal−organic frameworks was crystallized with the strong bond approach, where metal ions are joined by charged organic linkers exemplified by carboxylates, followed by proof of their porosity in 1998 and ultrahigh porosity in 1999, a revolution in the development of their chemistry has ensued. This is being reinforced by the discovery of two- and three-dimensional covalent organic frameworks in 2005 and 2007. Currently, the chemistry of such porous, crystalline frameworks is collectively referred to as reticular chemistry, which is being practiced in over 100 countries. The involvement of researchers from various backgrounds and fields, and the vast scope of this chemistry and its societal applications, necessitate articulating the “Standard Practices of Reticular Chemistry”.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000566668400005 Publication Date 2020-08-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2374-7943 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 18.2 Times cited Open Access OpenAccess
Notes S.C. acknowledges the Research Foundation Flanders (FWO) for supporting his research (Project 12ZV120N). Approved Most recent IF: 18.2; 2020 IF: 7.481
Call Number EMAT @ emat @c:irua:172057 Serial 6423
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Author Drukarev, E.; Mikhailov, A.; Rakhimov, K.Y.; Yusupov, H.
Title Relativistic photoeffect for s states in a central field Type A1 Journal article
Year 2020 Publication European Physical Journal D Abbreviated Journal Eur Phys J D
Volume 74 Issue (down) 8 Pages 166-169
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We study the photoionization of the s states in the systems bound by sufficiently weak central fields V(r) for the large photon energies corresponding to the relativistic photoelectrons. We demonstrate that the energy dependence of the photoionization cross section can be obtained without solving the wave equation. We show that the shape of the energy dependence of the cross section is determined by analytical properties of the binding potential V(r). We find the cross sections for the potentials V(r) which have singularities in the origin, on the real axis and in the complex plane.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000560347800005 Publication Date 2020-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6060; 1434-6079 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.8 Times cited Open Access
Notes ; ; Approved Most recent IF: 1.8; 2020 IF: 1.288
Call Number UA @ admin @ c:irua:171172 Serial 6593
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Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
Title Signature of ballistic band-tail tunneling current in tunnel FET Type A1 Journal article
Year 2020 Publication Ieee Transactions On Electron Devices Abbreviated Journal Ieee T Electron Dev
Volume 67 Issue (down) 8 Pages 3486-3491
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract To improve the interpretation of the tunnel field-effect transistor (TFET) measurements, we theoretically identify the signatures of the ballistic band-tail (BT) tunneling (BTT) current in the transfer and output characteristics of the TFETs. In particular, we demonstrate that the temperature dependence of a BTT-dominated subthreshold swing (SS) is in agreement with the reported experimental results. We explain how the temperature dependence of the output characteristics can be used to distinguish between a current dominated by BTT and a current dominated by trap-assisted tunneling. Finally, we propose an expression that relates the energetic extension of the quasi-extended BT states in the bandgap to the onset voltage for tunneling.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000552976100072 Publication Date 2020-07-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0018-9383 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.1 Times cited Open Access
Notes ; This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 3.1; 2020 IF: 2.605
Call Number UA @ admin @ c:irua:171189 Serial 6601
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Author Bafekry, A.; Neek-Amal, M.
Title Tuning the electronic properties of graphene-graphitic carbon nitride heterostructures and heterojunctions by using an electric field Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue (down) 8 Pages 085417-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Integration of graphene-based two-dimensional materials is essential for nanoelectronics applications. Using density-functional theory, we systematically investigate the electronic properties of vertically stacked graphene-graphitic carbon nitrides (GE/GCN). We also studied the covalently lateral stitched graphene-graphitic carbon nitrides (GE-GCN heterojunctions). The effects of perpendicular electric field on the electronic properties of six different heterostructures, i.e., (i) one layer of GE on top of a layer of CnNm with (n, m) = (3,1), (3,4), and (4,3) and (ii) three heterostructures CnNm/Cn'Nm', where (n, m) not equal (n', m') are elucidated. The most important calculated features are (i) the systems GE/C3N4, C3N/C3N4, GE-C3N, GE-C4N3, and C3N-C3N4 exhibit semiconducting characteristics having small band gaps of Delta(0)=20, 250, 100, 100, 80 meV, respectively while (ii) the systems GE/C4N3, C3N/C4N3, and C3N-C4N3 show ferromagnetic-metallic properties. In particular, we found that, in semiconducting heterostructures, the band gap increases nontrivially with increasing the absolute value of the applied perpendicular electric field. This work is useful for designing heterojunctions and heterostructures made of graphene and other two-dimensional materials such as those proposed in recent experiments [X. Liu and M. C. Hersam Sci. Adv. 5, 6444 (2019)].
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000515659700007 Publication Date 2020-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 24 Open Access
Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:167760 Serial 6640
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Author Shaw, P.; Kumar, N.; Privat-Maldonado, A.; Smits, E.; Bogaerts, A.
Title Cold Atmospheric Plasma Increases Temozolomide Sensitivity of Three-Dimensional Glioblastoma Spheroids via Oxidative Stress-Mediated DNA Damage Type A1 Journal article
Year 2021 Publication Cancers Abbreviated Journal Cancers
Volume 13 Issue (down) 8 Pages 1780
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
Abstract Glioblastoma multiforme (GBM) is the most frequent and aggressive primary malignant brain tumor in adults. Current standard radiotherapy and adjuvant chemotherapy with the alkylating agent temozolomide (TMZ) yield poor clinical outcome. This is due to the stem-like properties of tumor cells and genetic abnormalities in GBM, which contribute to resistance to TMZ and progression. In this study, we used cold atmospheric plasma (CAP) to enhance the sensitivity to TMZ through inhibition of antioxidant signaling (linked to TMZ resistance). We demonstrate that CAP indeed enhances the cytotoxicity of TMZ by targeting the antioxidant specific glutathione (GSH)/glutathione peroxidase 4 (GPX4) signaling. We optimized the threshold concentration of TMZ on five different GBM cell lines (U251, LN18, LN229, U87-MG and T98G). We combined TMZ with CAP and tested it on both TMZ-sensitive (U251, LN18 and LN229) and TMZ-resistant (U87-MG and T98G) cell lines using two-dimensional cell cultures. Subsequently, we used a three-dimensional spheroid model for the U251 (TMZ-sensitive) and U87-MG and T98G (TMZ-resistant) cells. The sensitivity of TMZ was enhanced, i.e., higher cytotoxicity and spheroid shrinkage was obtained when TMZ and CAP were administered together. We attribute the anticancer properties to the release of intracellular reactive oxygen species, through inhibiting the GSH/GPX4 antioxidant machinery, which can lead to DNA damage. Overall, our findings suggest that the combination of CAP with TMZ is a promising combination therapy to enhance the efficacy of TMZ towards the treatment of GBM spheroids.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000644001200001 Publication Date 2021-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2072-6694 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes We thank the Department of Biomedical Sciences, and the Laboratory of Protein Science, Proteomics & Epigenetic Signalling, at the University of Antwerp, for providing the facilities for the cell experiments. We are also grateful to Peter Ponsaerts from the Laboratory of Experimental Haematology, at the University of Antwerp, for providing the fluorescence microscope. Approved Most recent IF: NA
Call Number PLASMANT @ plasmant @c:irua:177779 Serial 6746
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Author Ghorbani, A.; Mousazadeh, H.; Taheri, F.; Ehteshammajd, S.; Azadi, H.; Yazdanpanah, M.; Khajehshahkohi, A.; Tanaskovik, V.; Van Passel, S.
Title An attempt to develop ecotourism in an unknown area : the case of Nehbandan County, South Khorasan Province, Iran Type A1 Journal article
Year 2021 Publication Environment, development and sustainability Abbreviated Journal
Volume 23 Issue (down) 8 Pages 11792-11817
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract This study is an attempt to develop ecotourism in Nehbandan County, in the South Khorasan Province, Iran, by representing unknown areas that have tourism potential. The most important obstacle in the development of tourism industry is the lack of strong marketing plans, tourism management, accommodations for overnight and long stays, and medical and health clinic in the desert. This is a qualitative, exploratory case study investigating the status of environmental, sociocultural, and economic impacts of ecotourism development on the native people's livelihood in Nehbandan County in Iran. The methodology is based on field observations, secondary data sources, and field survey. It is an interpretive approach that avoids numbers but focuses on issues linked to culture and nature. In the present study, the grounded theory was used to perform data analysis. Based on the findings, ecotourism has undoubtedly proven to be an effective environmental conservation tool in the study site and enables local people to increase their livelihood security through employment in activities relating to ecotourism and the development of rural livelihood.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000604534700011 Publication Date 2021-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1387-585x ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:174994 Serial 6914
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Author Bafekry, A.; Gogova, D.; M. Fadlallah, M.; V. Chuong, N.; Ghergherehchi, M.; Faraji, M.; Feghhi, S.A.H.; Oskoeian, M.
Title Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- and N-containing materials Type A1 Journal article
Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 23 Issue (down) 8 Pages 4865-4873
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic and optical properties of vertical heterostructures (HTSs) and lateral heterojunctions (HTJs) between (B,N)-codoped graphene (dop@Gr) and graphene (Gr), C3N, BC3 and h-BN monolayers are investigated using van der Waals density functional theory calculations. We have found that all the considered HTSs are energetically and thermally feasible at room temperature, and therefore they can be synthesized experimentally. The dop@Gr/Gr, BC3/dop@Gr and BN/dop@Gr HTSs are semiconductors with direct bandgaps of 0.1 eV, 80 meV and 1.23 eV, respectively, while the C3N/dop@Gr is a metal because of the strong interaction between dop@Gr and C3N layers. On the other hand, the dop@Gr-Gr and BN-dop@Gr HTJs are semiconductors, whereas the C3N-dop@Gr and BC3-dop@Gr HTJs are metals. The proposed HTSs can enhance the absorption of light in the whole wavelength range as compared to Gr and BN monolayers. The applied electric field or pressure strain changes the bandgaps of the HTSs and HTJs, indicating that these HTSs are highly promising for application in nanoscale multifunctional devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000625306100038 Publication Date 2021-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:177659 Serial 6986
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Author Abdulov, N.A.; Bacchetta, A.; Baranov, S.; Martinez, A.B.; Bertone, V.; Bissolotti, C.; Candelise, V.; Banos, L.I.E.; Bury, M.; Connor, P.L.S.; Favart, L.; Guzman, F.; Hautmann, F.; Hentschinski, M.; Jung, H.; Keersmaekers, L.; Kotikov, A.; Kusina, A.; Kutak, K.; Lelek, A.; Lidrych, J.; Lipatov, A.; Lykasov, G.; Malyshev, M.; Mendizabal, M.; Prestel, S.; Barzani, S.S.; Sapeta, S.; Schmitz, M.; Signori, A.; Sorrentino, G.; Monfared, S.T.; van Hameren, A.; van Kampen, A.M.; Vanden Bemden, M.; Vladimirov, A.; Wang, Q.; Yang, H.
Title TMDlib2 and TMDplotter : a platform for 3D hadron structure studies Type A1 Journal article
Year 2021 Publication European Physical Journal C Abbreviated Journal Eur Phys J C
Volume 81 Issue (down) 8 Pages 752
Keywords A1 Journal article; Particle Physics Group; Condensed Matter Theory (CMT)
Abstract A common library, TMDlib2, for Transverse-Momentum-Dependent distributions (TMDs) and unintegrated parton distributions (uPDFs) is described, which allows for easy access of commonly used TMDs and uPDFs, providing a three-dimensional (3D) picture of the partonic structure of hadrons. The tool TMDplotter allows for web-based plotting of distributions implemented in TMDlib2, together with collinear pdfs as available in LHAPDF.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000687163700004 Publication Date 2021-08-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6044; 1434-6052 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.331 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 5.331
Call Number UA @ admin @ c:irua:181762 Serial 7032
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Author Borah, R.; Smets, J.; Ninakanti, R.; Tietze, M.L.; Ameloot, R.; Chigrin, D.N.; Bals, S.; Lenaerts, S.; Verbruggen, S.W.
Title Self-assembled ligand-capped plasmonic Au nanoparticle films in the Kretschmann configuration for sensing of volatile organic compounds Type A1 Journal article
Year 2022 Publication ACS applied nano materials Abbreviated Journal
Volume 5 Issue (down) 8 Pages acsanm.2c02524-12
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract Films of close-packed Au nanoparticles are coupled electrodynamically through their collective plasmon resonances. This collective optical response results in enhanced light–matter interactions, which can be exploited in various applications. Here, we demonstrate their application in sensing volatile organic compounds, using methanol as a test case. Ordered films over several cm2 were obtained by interfacial self-assembly of colloidal Au nanoparticles (∼10 nm diameter) through controlled evaporation of the solvent. Even though isolated nanoparticles of this size are inherently nonscattering, when arranged in a close-packed film the plasmonic coupling results in a strong reflectance and absorbance. The in situ tracking of vapor phase methanol concentration through UV–vis transmission measurements of the nanoparticle film is first demonstrated. Next, in situ ellipsometry of the self-assembled films in the Kretschmann (also known as ATR) configuration is shown to yield enhanced sensitivity, especially with phase difference measurements, Δ. Our study shows the excellent agreement between theoretical models of the spectral response of self-assembled films with experimental in situ sensing experiments. At the same time, the theoretical framework provides the basis for the interpretation of the various observed experimental trends. Combining periodic nanoparticle films with ellipsometry in the Kretschmann configuration is a promising strategy toward highly sensitive and selective plasmonic thin-film devices based on colloidal fabrication methods for volatile organic compound (VOC) sensing applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000834348300001 Publication Date 2022-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0970 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.9 Times cited 11 Open Access OpenAccess
Notes R.B. acknowledges financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. J.S. acknowledges financial support from the Research Foundation Flanders (FWO) by a Ph.D. fellowship (11H8121N) . M.L.T. acknowledges financial support from the Research Foundation Flanders (FWO) by a senior postdoctoral fellowship (12ZK720N) . Approved Most recent IF: 5.9
Call Number UA @ admin @ c:irua:189295 Serial 7095
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Author De Backer, J.; Maric, D.; Zuhra, K.; Bogaerts, A.; Szabo, C.; Vanden Berghe, W.; Hoogewijs, D.
Title Cytoglobin Silencing Promotes Melanoma Malignancy but Sensitizes for Ferroptosis and Pyroptosis Therapy Response Type A1 Journal article
Year 2022 Publication Antioxidants Abbreviated Journal Antioxidants
Volume 11 Issue (down) 8 Pages 1548
Keywords A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Proteinscience, proteomics and epigenetic signaling (PPES)
Abstract Despite recent advances in melanoma treatment, there are still patients that either do not respond or develop resistance. This unresponsiveness and/or acquired resistance to therapy could be explained by the fact that some melanoma cells reside in a dedifferentiated state. Interestingly, this dedifferentiated state is associated with greater sensitivity to ferroptosis, a lipid peroxidation-reliant, iron-dependent form of cell death. Cytoglobin (CYGB) is an iron hexacoordinated globin that is highly enriched in melanocytes and frequently downregulated during melanomagenesis. In this study, we investigated the potential effect of CYGB on the cellular sensitivity towards (1S, 3R)-RAS-selective lethal small molecule (RSL3)-mediated ferroptosis in the G361 melanoma cells with abundant endogenous expression. Our findings show that an increased basal ROS level and higher degree of lipid peroxidation upon RSL3 treatment contribute to the increased sensitivity of CYGB knockdown G361 cells to ferroptosis. Furthermore, transcriptome analysis demonstrates the enrichment of multiple cancer malignancy pathways upon CYGB knockdown, supporting a tumor-suppressive role for CYGB. Remarkably, CYGB knockdown also triggers activation of the NOD-, LRR- and pyrin domain-containing protein 3 (NLRP3) inflammasome and subsequent induction of pyroptosis target genes. Altogether, we show that silencing of CYGB expression modulates cancer therapy sensitivity via regulation of ferroptosis and pyroptosis cell death signaling pathways.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000846411000001 Publication Date 2022-08-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2076-3921 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 7
Call Number PLASMANT @ plasmant @c:irua:190686 Serial 7102
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Author Gao, C.; Hofer, C.; Jannis, D.; Béché, A.; Verbeeck, J.; Pennycook, T.J.
Title Overcoming contrast reversals in focused probe ptychography of thick materials: An optimal pipeline for efficiently determining local atomic structure in materials science Type A1 Journal article
Year 2022 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 121 Issue (down) 8 Pages 081906
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ptychography provides highly efficient imaging in scanning transmission electron microscopy (STEM), but questions have remained over its applicability to strongly scattering samples such as those most commonly seen in materials science. Although contrast reversals can appear in ptychographic phase images as the projected potentials of the sample increase, we show here how these can be easily overcome by a small amount of defocus. The amount of defocus is small enough that it not only can exist naturally when focusing using the annular dark field (ADF) signal but can also be adjusted post acquisition. The ptychographic images of strongly scattering materials are clearer at finite doses than other STEM techniques and can better reveal light atomic columns within heavy lattices. In addition, data for ptychography can now be collected simultaneously with the fastest of ADF scans. This combination of sensitivity and interpretability presents an ideal workflow for materials science.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000844403300006 Publication Date 2022-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited 9 Open Access OpenAccess
Notes European Research Council, 802123-HDEM ; HORIZON EUROPE European Research Council, 823717-ESTEEM3 ; Fonds Wetenschappelijk Onderzoek, G042920N ; Fonds Wetenschappelijk Onderzoek, G042820N ; Horizon 2020 Framework Programme, 101017720 ; Fonds Wetenschappelijk Onderzoek, G013122N ; esteem3reported; esteem3jra Approved Most recent IF: 4
Call Number EMAT @ emat @c:irua:190670 Serial 7120
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Author Ngo, K.N.; Tampon, P.; Van Winckel, T.; Massoudieh, A.; Sturm, B.; Bott, C.; Wett, B.; Murthy, S.; Vlaeminck, S.E.; DeBarbadillo, C.; De Clippeleir, H.
Title Introducing bioflocculation boundaries in process control to enhance effluent quality of high‐rate contact‐stabilization systems Type A1 Journal article
Year 2022 Publication Water environment research Abbreviated Journal Water Environ Res
Volume 94 Issue (down) 8 Pages e10772-17
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract High-rate activated sludge (HRAS) systems suffer from high variability of effluent quality, clarifier performance, and carbon capture. This study proposed a novel control approach using bioflocculation boundaries for wasting control strategy to enhance effluent quality and stability while still meeting carbon capture goals. The bioflocculation boundaries were developed based on the oxygen uptake rate (OUR) ratio between contactor and stabilizer (feast/famine) in a high-rate contact stabilization (CS) system and this OUR ratio was used to manipulate the wasting setpoint. Increased oxidation of carbon or decreased wasting was applied when OUR ratio was <0.52 or >0.95 to overcome bioflocculation limitation and maintain effluent quality. When no bioflocculation limitations (OUR ratio within 0.52–0.95) were detected, carbon capture was maximized. The proposed control concept was shown for a fully automated OUR-based control system as well as for a simplified version based on direct waste flow control. For both cases, significant improvements in effluent suspended solids level and stability (<50-mg TSS/L), solids capture over the clarifier (>90%), and COD capture (median of 32%) were achieved. This study shows how one can overcome the process instability of current HRAS systems and provide a path to achieve more reliable outcomes.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000840360100001 Publication Date 2022-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1061-4303; 1554-7531 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.1 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.1
Call Number UA @ admin @ c:irua:189409 Serial 7174
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Author Rossbach, L.M.; Brede, D.A.; Nuyts, G.; Cagno, S.; Olsson, R.M.S.; Oughton, D.H.; Falkenberg, G.; Janssens, K.; Lind, O.C.
Title Synchrotron XRF analysis identifies cerium accumulation colocalized with pharyngeal deformities in CeO₂ NP-exposed caenorhabditis elegans Type A1 Journal article
Year 2022 Publication Environmental science and technology Abbreviated Journal Environ Sci Technol
Volume 56 Issue (down) 8 Pages 5081-5089
Keywords A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract A combination of synchrotron radiation-based elementalimaging, in vivo redox status analysis, histology, and toxic responses was usedto investigate the uptake, biodistribution, and adverse effects of Cenanoparticles (CeO2NP; 10 nm; 0.5-34.96 mg Ce L-1) or Ce(NO3)3(2.3-26 mg Ce L-1)inCaenorhabditis elegans. Elemental mapping of theexposed nematodes revealed Ce uptake in the alimentary canal prior todepuration. Retention of CeO2NPs was low compared to that of Ce(NO3)3in depurated individuals. X-rayfluorescence (XRF) mapping showed that Cetranslocation was confined to the pharyngeal valve and foregut. Ce(NO3)3exposure significantly decreased growth, fertility, and reproduction, causedslightly reduced fecundity. XRF mapping and histological analysis revealedsevere tissue deformities colocalized with retained Ce surrounding thepharyngeal valve. Both forms of Ce activated the sod-1 antioxidant defense,particularly in the pharynx, whereas no significant effects on the cellular redox balance were identified. The CeO2NP-induceddeformities did not appear to impair the pharyngeal function or feeding ability as growth effects were restricted to Ce(NO3)3exposure. The results demonstrate the utility of integrated submicron-resolution SR-based XRF elemental mapping of tissue-specificdistribution and adverse effect analysis to obtain robust toxicological evaluations of metal-containing contaminants.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000793137500039 Publication Date 2022-04-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-936x; 1520-5851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 11.4
Call Number UA @ admin @ c:irua:188662 Serial 7216
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Author Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I.
Title Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue (down) 8 Pages 085301-85311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000899825400001 Publication Date 2022-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:193399 Serial 7313
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Author Kummamuru, N.B.; Perreault, P.; Lenaerts, S.
Title A new generalized empirical correlation for predicting methane hydrate equilibrium conditions in pure water Type A1 Journal article
Year 2021 Publication Industrial & Engineering Chemistry Research Abbreviated Journal Ind Eng Chem Res
Volume 60 Issue (down) 8 Pages 3474-3483
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This work contributes to a new generalized empirical correlation for predicting methane (CH4) hydrate equilibrium conditions in pure water. Unlike the conventional thermodynamic approach that involves complex reckoning, the proposed empirical equation is developed by regressing 215 experimental data points from the literature and validating with 45 data points for predicting methane hydrate equilibrium conditions in pure water. The new correlation is proposed for a temperature and pressure range of 273.2–303.48 K and 2.63–72.26 MPa, respectively. The accuracy and performance of the proposed correlation is quantitatively evaluated using statistical error analysis. The proposed correlation was able to estimate CH4 hydrate equilibrium conditions satisfactorily with an R2 of 0.99987. The overall error analysis for the proposed correlation shows fair agreement with the experimental data reported within the literature. Concurrently, the new correlation showed better performance in predicting equilibrium conditions compared to those calculated by other empirical correlations available in the literature within the investigated range. In addition, the proposed empirical equation is also checked to evaluate its efficacy in fitting each set of experimental binary/ternary methane hydrates (BTMH) and binary hydrogen hydrates (BHH) for an accurate representation of equilibrium data over a wide range of composition, pressure, and temperature conditions. A maximum percentage deviation of 0.58% and 0.24% was observed between experimental and calculated equilibrium conditions for BTMH and BHH, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000626326200017 Publication Date 2021-02-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0888-5885; 1520-5045 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.843
Call Number UA @ admin @ c:irua:175862 Serial 7394
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Author Nowak, J.; Nowak, D.; Chevallier, P.; Lekki, J.; Van Grieken, R.; Kuczumov, A.
Title Analysis of composite structure and primordial wood remains in petrified wood Type A1 Journal article
Year 2007 Publication Applied spectrsocopy Abbreviated Journal
Volume 61 Issue (down) 8 Pages 889-895
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000248635400014 Publication Date 2007-08-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:65942 Serial 7443
Permanent link to this record
 

 
Author Xhoffer, C.; Jacob, W.; Van Grieken, R.
Title Application of electron energy loss spectroscopy to aerosols Type A1 Journal article
Year 1989 Publication Journal of aerosol science Abbreviated Journal
Volume 20 Issue (down) 8 Pages 1617-1619
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1989CN23100191 Publication Date 2003-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8502; 1879-1964 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116820 Serial 7472
Permanent link to this record
 

 
Author Ozbal, G.; Senger, R.T.; Sevik, C.; Sevincli, H.
Title Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal
Volume 100 Issue (down) 8 Pages 085415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Combining first-principles calculations with Landauer-Mittiker formalism, ballistic thermoelectric transport properties of semiconducting two-dimensional transition metal dichalcogenides (TMDs) and oxides (TMOs) (namely MX2 with M = Cr, Mo, W, Ti, Zr, Hf; X = O, S, Se, Te) are investigated in their 2H and 1T phases. Having computed structural, as well as ballistic electronic and phononic transport properties for all structures, we report the thermoelectric properties of the semiconducting ones. We find that 2H phases of four of the studied structures have very promising thermoelectric properties, unlike their 1T phases. The maximum room temperature p-type thermoelectric figure of merit (ZT) of 1.57 is obtained for 2H-HfSe2, which can be as high as 3.30 at T = 800 K. Additionally, 2H-ZrSe2, 2H-ZrTe2, and 2H-HfS2 have considerable ZT values (both nand p-type), that are above 1 at room temperature. The 1T phases of Zr and Hf-based oxides possess relatively high power factors, however their high lattice thermal conductance values limit their ZT values to below 1 at room temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480389100007 Publication Date 2019-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:193773 Serial 7549
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Author Rojas, C.M.; Otten, P.M.; Van Grieken, R.E.
Title Characterization of airborne particulate matter collected over the North Sea Type A1 Journal article
Year 1989 Publication Journal of aerosol science Abbreviated Journal
Volume 20 Issue (down) 8 Pages 1257-1260
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1989CN23100101 Publication Date 2003-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8502; 1879-1964 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116819 Serial 7616
Permanent link to this record
 

 
Author Eliaerts, J.; Meert, N.; Dardenne, P.; Baeten, V.; Pierna, J.-A.F.; Van Durme, F.; De Wael, K.; Samyn, N.
Title Comparison of spectroscopic techniques combined with chemometrics for cocaine powder analysis Type A1 Journal article
Year 2020 Publication Journal Of Analytical Toxicology Abbreviated Journal J Anal Toxicol
Volume 44 Issue (down) 8 Pages 851-860
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Spectroscopic techniques combined with chemometrics are a promising tool for analysis of seized drug powders. In this study, the performance of three spectroscopic techniques [Mid-InfraRed (MIR), Raman and Near-InfraRed (NIR)] was compared. In total, 364 seized powders were analyzed and consisted of 276 cocaine powders (with concentrations ranging from 4 to 99 w%) and 88 powders without cocaine. A classification model (using Support Vector Machines [SVM] discriminant analysis) and a quantification model (using SVM regression) were constructed with each spectral dataset in order to discriminate cocaine powders from other powders and quantify cocaine in powders classified as cocaine positive. The performances of the models were compared with gas chromatography coupled with mass spectrometry (GC-MS) and gas chromatography with flame-ionization detection (GC-FID). Different evaluation criteria were used: number of false negatives (FNs), number of false positives (FPs), accuracy, root mean square error of cross-validation (RMSECV) and determination coefficients (R-2). Ten colored powders were excluded from the classification data set due to fluorescence background observed in Raman spectra. For the classification, the best accuracy (99.7%) was obtained with MIR spectra. With Raman and NIR spectra, the accuracy was 99.5% and 98.9%, respectively. For the quantification, the best results were obtained with NIR spectra. The cocaine content was determined with a RMSECV of 3.79% and a R-2 of 0.97. The performance of MIR and Raman to predict cocaine concentrations was lower than NIR, with RMSECV of 6.76% and 6.79%, respectively and both with a R-2 of 0.90. The three spectroscopic techniques can be applied for both classification and quantification of cocaine, but some differences in performance were detected. The best classification was obtained with MIR spectra. For quantification, however, the RMSECV of MIR and Raman was twice as high in comparison with NIR. Spectroscopic techniques combined with chemometrics can reduce the workload for confirmation analysis (e.g., chromatography based) and therefore save time and resources.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000606735000011 Publication Date 2020-08-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0146-4760; 1945-2403 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.5 Times cited Open Access
Notes Approved Most recent IF: 2.5; 2020 IF: 2.409
Call Number UA @ admin @ c:irua:175117 Serial 7697
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Author Ro, C.-U.; Osán, J.; Van Grieken, R.
Title Determination of low-Z elements in individual environmental particles using windowless EPMA Type A1 Journal article
Year 1999 Publication Analytical chemistry Abbreviated Journal
Volume 71 Issue (down) 8 Pages 1521-1528
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000079756900007 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:23185 Serial 7782
Permanent link to this record
 

 
Author Verbueken, A.H.; Van Grieken, R.E.; Paulus, G.J.; De Bruijn, W.C.
Title Embedded ion exchange beads as standards for laser microprobe mass analysis of biological specimens Type A1 Journal article
Year 1984 Publication Analytical chemistry Abbreviated Journal
Volume 56 Issue (down) 8 Pages 1362-1370
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1984SX51800045 Publication Date 2005-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116520 Serial 7898
Permanent link to this record
 

 
Author Van Dyck, P.M.; Török, S.B.; Van Grieken, R.E.
Title Enhancement effect in X-ray fluorescence analysis of environmental samples of medium thickness Type A1 Journal article
Year 1986 Publication Analytical chemistry Abbreviated Journal
Volume 58 Issue (down) 8 Pages 1761-1766
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1986C955500040 Publication Date 2005-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:116522 Serial 7915
Permanent link to this record
 

 
Author Kulkarni, S.; Gonzalez-Quiroga, A.; Nuñez, M.; Schuerewegen, C.; Perreault, P.; Goel, C.; Heynderickx, G.J.; Van Geem, K.M.; Marin, G.B.
Title An experimental and numerical study of the suppression of jets, counterflow, and backflow in vortex units Type A1 Journal article
Year 2019 Publication AIChE journal Abbreviated Journal
Volume 65 Issue (down) 8 Pages e16614-13
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Vortex units are commonly considered for various single and multiphase applications due to their process intensification capabilities. The transition from gas‐only flow to gas–solid flow remains largely unexplored nonetheless. During this transition, primary flow phenomenon, jets, and secondary flow phenomena, counterflow and backflow, are substantially reduced, before a rotating solids bed is established. This transitional flow regime is referred to as the vortex suppression regime. In the present work, this flow transition is identified and validated through experimental and computational studies in two vortex units with a scale differing by a factor of 2, using spherical aluminum and alumina particles. This experimental data supports the proposed theoretical particle monolayer solids loading that allows estimation of vortex suppression regime solids capacity for any vortex unit. It is shown that the vortex suppression regime is established at a solids loading theoretically corresponding to a monolayer being formed in the unit for 1g‐Geldart D‐ and 1g‐Geldart B‐type particles. The model closely agrees with experimental vortex suppression range for both aluminum and alumina particles. The model, as well as the experimental data, shows that the flow suppression regime depends on unit dimensions, particle diameter, and particle density but is independent of gas flow rate. This combined study, based on experimental and computational data and on a theoretical model, reveals the vortex suppression to be one of the basic operational parameters to study flow in a vortex unit and that a simple monolayer model allows to estimate the needed solids loading for any vortex device to induce this flow transition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000474620800026 Publication Date 2019-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0001-1541 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:162121 Serial 7945
Permanent link to this record
 

 
Author Demiroglu, I.; Sevik, C.
Title Extraordinary negative thermal expansion of two-dimensional nitrides : a comparative ab initio study of quasiharmonic approximation and molecular dynamics simulations Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue (down) 8 Pages 085430
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Thermal expansion behavior of two-dimensional (2D) nitrides and graphene were studied by ab initio molecular dynamics (MD) simulations as well as quasiharmonic approximation (QHA). Anharmonicity of the acoustic phonon modes are related to the unusual negative thermal expansion (NTE) behavior of the nitrides. Our results also hint that direct ab initio MD simulations are a more elaborate method to investigate thermal expansion behavior of 2D materials than the QHA. Nevertheless, giant NTE coefficients are found for h-GaN and h-AlN within the covered temperature range 100-600 K regardless of the chosen computational method. This unusual NTE of 2D nitrides is reasoned with the out-of-plane oscillations related to the rippling behavior of the monolayers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000620346100007 Publication Date 2021-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:176671 Serial 7956
Permanent link to this record
 

 
Author Van Grieken, R.E.; Johansson, T.B.; Akselsson, K.R.; Winchester, J.W.; Nelson, J.W.; Chapman, K.R.
Title Geophysical applicability of aerosol size distribution measurements using cascade impactors and proton-induced X-ray-emission Type A1 Journal article
Year 1976 Publication Atmospheric environment : an international journal Abbreviated Journal
Volume 10 Issue (down) 8 Pages 571-576
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1976BZ75500001 Publication Date 2003-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:113636 Serial 8000
Permanent link to this record
 

 
Author Torun, E.; Paleari, F.; Milošević, M.V.; Wirtz, L.; Sevik, C.
Title Intrinsic control of interlayer exciton generation in Van der Waals materials via Janus layers Type A1 Journal article
Year 2023 Publication Nano letters Abbreviated Journal
Volume 23 Issue (down) 8 Pages 3159-3166
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We investigate different MoS2@Janus layer combinations using first-principles methods including excitons and exciton-phonon coupling. The direction of the intrinsic electric field from the Janus layer modifies the electronic band alignments and, consequently, the energy separation between dark interlayer exciton states and bright in-plane excitons. We find that in-plane lattice vibrations strongly couple the two states, so that exciton-phonon scattering may be a viable generation mechanism for interlayer excitons upon light absorption. In particular, in the case of MoS2@WSSe, the energy separation of the low-lying interlayer exciton from the in-plane exciton is resonant with the transverse optical phonon modes (40 meV). We thus identify this heterobilayer as a prime candidate for efficient generation of charge-separated electron-hole pairs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000969732100001 Publication Date 2023-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 10.8; 2023 IF: 12.712
Call Number UA @ admin @ c:irua:196034 Serial 8118
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Author Schneidewind, U.; van Berkel, M.; Anibas, C.; Vandersteen, G.; Schmidt, C.; Joris, I.; Seuntjens, P.; Batelaan, O.; Zwart, H.J.
Title LPMLE3: A novel 1-D approach to study water flow in streambeds using heat as a tracer Type A1 Journal article
Year 2016 Publication Water resources research Abbreviated Journal
Volume 52 Issue (down) 8 Pages 6596-6610
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract We introduce LPMLE3, a new 1-D approach to quantify vertical water flow components at streambeds using temperature data collected in different depths. LPMLE3 solves the partial differential equation for coupled water flow and heat transport in the frequency domain. Unlike other 1-D approaches it does not assume a semi-infinite halfspace with the location of the lower boundary condition approaching infinity. Instead, it uses local upper and lower boundary conditions. As such, the streambed can be divided into finite subdomains bound at the top and bottom by a temperature-time series. Information from a third temperature sensor within each subdomain is then used for parameter estimation. LPMLE3 applies a low order local polynomial to separate periodic and transient parts (including the noise contributions) of a temperature-time series and calculates the frequency response of each subdomain to a known temperature input at the streambed top. A maximum-likelihood estimator is used to estimate the vertical component of water flow, thermal diffusivity, and their uncertainties for each streambed subdomain and provides information regarding model quality. We tested the method on synthetic temperature data generated with the numerical model STRIVE and demonstrate how the vertical flow component can be quantified for field data collected in a Belgian stream. We show that by using the results in additional analyses, nonvertical flow components could be identified and by making certain assumptions they could be quantified for each subdomain. LPMLE3 performed well on both simulated and field data and can be considered a valuable addition to the existing 1-D methods.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383684400051 Publication Date 2016-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0043-1397; 0043-137x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:144678 Serial 8189
Permanent link to this record
 

 
Author Zhang, L.; Vleugels, J.; Darchuk, L.; van der Biest, O.
Title Magnetic field oriented tetragonal zirconia with anisotropic toughness Type A1 Journal article
Year 2011 Publication Journal of the European Ceramic Society Abbreviated Journal
Volume 31 Issue (down) 8 Pages 1405-1412
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract (0 0 1)-oriented 3 mol% yttria stabilized tetragonal zirconia (3Y-TZP) has been developed by reactive synthesis of undoped pure monoclinic zirconia and co-precipitated 8 mol% yttria-stabilized zirconia (8Y-ZrO2). The dispersed pure monoclinic ZrO2 powder, having magnetic anisotropy, was first aligned in a strong magnetic field and co-sintered in a randomly distributed cubic 8Y-ZrO2 fine matrix powder. The reactive sintering resulted in a 3Y-TZP ceramic with a (0 0 1) orientation. The (0 0 1)-oriented 3Y-TZP showed a substantial toughness anisotropy, i.e. the toughness along the [0 0 1] direction is 54% higher than that of its perpendicular direction. Moreover, the toughness along the [0 0 1] direction is 49% higher than that of a non-textured isotropic reactively synthesized 3Y-TZP and 110% higher than that of an isotropic co-precipitated powder based 3Y-TZP. The substantially enhanced toughness was interpreted in terms of the tetragonal to monoclinic martensitic phase transformability.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000290189100008 Publication Date 2011-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0955-2219 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:89722 Serial 8192
Permanent link to this record