toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records Links
Author van Roy, W.; van Vaeck, L.; Gijbels, R. openurl 
  Title (up) Evaluation of the laser microprobe with time-of-flight mass spectrometer for organic surface and micro-analysis Type P3 Proceeding
  Year 1992 Publication Abbreviated Journal  
  Volume Issue Pages 1959-1960  
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:2867 Serial 1088  
Permanent link to this record
 

 
Author Sankaran, K.; Swerts, J.; Carpenter, R.; Couet, S.; Garello, K.; Evans, R.F.L.; Rao, S.; Kim, W.; Kundu, S.; Crotti, D.; Kar, G.S.; Pourtois, G. openurl 
  Title (up) Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling Type P1 Proceeding
  Year 2018 Publication 2018 Ieee International Electron Devices Meeting (iedm) Abbreviated Journal  
  Volume Issue Pages  
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract For the first time, we demonstrate, using an atomistic description of a 30nm diameter spin-transfer-torque magnetic random access memories (STT-MRAM), that the difference in mechanical properties of its sub-nanometer layers induces a high compressive strain in the magnetic tunnel junction (MTJ) and leads to a detrimental magnetostrictive effect. Our model explains the issues met in engineering the electrical and magnetic performances in scaled STT-MRAM devices. The resulting high compressive strain built in the stack, particularly in the MgO tunnel barrier (t-MgO), and its associated non-uniform atomic displacements, impacts on the quality of the MTJ interface and leads to strain relieve mechanisms such as surface roughness and adhesion issues. We illustrate that the strain gradient induced by the different materials and their thicknesses in the stacks has a negative impact on the tunnel magneto-resistance (TMR), on the magnetic nucleation process and on the STT-MRAM performance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459882300147 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-72811-987-8; 978-1-72811-987-8 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:158694 Serial 7942  
Permanent link to this record
 

 
Author Wang, L.; Shi, P.; Chen, L.; Gielis, J.; Niklas, K.J. pdf  url
doi  openurl
  Title (up) Evidence that Chinese white olive (Canarium album(Lour.) DC.) fruits are solids of revolution Type A1 Journal article
  Year 2023 Publication Botany letters Abbreviated Journal  
  Volume Issue Pages 1-7  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Although many fruit geometries resemble a solid of revolution, this assumption has rarely been rigorously examined. To test this assumption, 574 fruits of Canarium album (Lour.) DC. which appear to have an ellipsoidal shape, were examined to determine the validity of a general avian-based egg-shape equation, referred to as the explicit Preston equation (EPE). The assumption that the C. album fruit geometry is a solid of revolution is tested by applying the volume formula for a solid of revolution using the EPE. The goodness of fit of the EPE was assessed using the adjusted root-mean-square error (RMSEadj). The relationship between the observed volume (Vobs) of each fruit, as measured by water displacement in a graduated cylinder, and the predicted volumes (Vpre) based on the EPE was also evaluated using the equation Vpre = slope * Vobs. All the RMSEadj values were smaller than 0.05, which demonstrated the validity of the EPE based on C. album fruit profiles. The 95% confidence interval of the slope of Vpre vs. Vobs included 1.0, indicating that there was no significant difference between Vpre and Vobs. The data confirm that C. album fruits are solids of revolution. This study provides a new approach for calculating the volume and surface area of geometrically similar fruits, which can be extended to other species with similar fruit geometries to further explore the ontogeny and evolution of angiosperm reproductive organs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001033135400001 Publication Date 2023-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2381-8107; 2381-8115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.5 Times cited Open Access Not_Open_Access: Available from 24.01.2024  
  Notes Approved Most recent IF: 1.5; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:198001 Serial 8864  
Permanent link to this record
 

 
Author Li, Y.; Quinn, B.K.; Gielis, J.; Li, Y.; Shi, P. url  doi
openurl 
  Title (up) Evidence that supertriangles exist in nature from the vertical projections of Koelreuteria paniculata fruit Type A1 Journal article
  Year 2022 Publication Symmetry Abbreviated Journal Symmetry-Basel  
  Volume 14 Issue 1 Pages 23  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Many natural radial symmetrical shapes (e.g., sea stars) follow the Gielis equation (GE) or its twin equation (TGE). A supertriangle (three triangles arranged around a central polygon) represents such a shape, but no study has tested whether natural shapes can be represented as/are supertriangles or whether the GE or TGE can describe their shape. We collected 100 pieces of Koelreuteria paniculata fruit, which have a supertriangular shape, extracted the boundary coordinates for their vertical projections, and then fitted them with the GE and TGE. The adjusted root mean square errors (RMSEadj) of the two equations were always less than 0.08, and >70% were less than 0.05. For 57/100 fruit projections, the GE had a lower RMSEadj than the TGE, although overall differences in the goodness of fit were non-significant. However, the TGE produces more symmetrical shapes than the GE as the two parameters controlling the extent of symmetry in it are approximately equal. This work demonstrates that natural supertriangles exist, validates the use of the GE and TGE to model their shapes, and suggests that different complex radially symmetrical shapes can be generated by the same equation, implying that different types of biological symmetry may result from the same biophysical mechanisms.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000746030100001 Publication Date 2021-12-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2073-8994 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.7 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.7  
  Call Number UA @ admin @ c:irua:186453 Serial 7158  
Permanent link to this record
 

 
Author Oleshko, V.P.; Gijbels, R.H.; Bilous, V.M.; Jacob, W.A.; Alfimov, M.V. openurl 
  Title (up) Evolution of impurity clusters and mechanism of formation of photographic sensitivity Type H3 Book chapter
  Year 1998 Publication Abbreviated Journal  
  Volume Issue Pages 275-280  
  Keywords H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerp Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:24912 Serial 1099  
Permanent link to this record
 

 
Author Oleshko, V.P.; Gijbels, R.H.; Bilous, V.M.; Jacob, W.A.; Alfimov, M.V. openurl 
  Title (up) Evolution of impurity clusters and photographic sensitivity Type A3 Journal article
  Year 2000 Publication Zhurnal nauchnoj prikladnoj fotografii i kinematografii Abbreviated Journal  
  Volume 45 Issue 2 Pages 1-11  
  Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:34084 Serial 1100  
Permanent link to this record
 

 
Author Fomin, V.M.; Misko, V.R.; Devreese, J.T.; Moshchalkov, V.V. openurl 
  Title (up) Evolution of superconducting islands in a square mesoscopic loop Type A1 Journal article
  Year 1996 Publication Phantoms newsletter Abbreviated Journal  
  Volume 12 Issue Pages 7  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:16187 Serial 1101  
Permanent link to this record
 

 
Author Buyle, M.; Maes, B.; Van Passel, S.; Boonen, K.; Vercalsteren, A.; Audenaert, A. pdf  doi
openurl 
  Title (up) Ex-ante LCA of emerging carbon steel slag treatment technologies : fast forwarding lab observations to industrial-scale production Type A1 Journal article
  Year 2021 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod  
  Volume 313 Issue Pages 127921  
  Keywords A1 Journal article; Engineering sciences. Technology; Energy and Materials in Infrastructure and Buildings (EMIB)  
  Abstract The valuable properties of carbon steel slag are currently underexploited. To date, research mainly focusses on valorising a single property of the slag. In this study an ex-ante life cycle assessment (LCA) was applied to evaluate the environmental profile of a novel technological pathway aimed at the extraction of chromium from carbon steel slag in combination with high quality valorisation of the residual matrix material. A comparison with current practice was made, not only by calculating the environmental impact of the lab scale observations, but more importantly by estimating the impact on an industrial scale. Practical guidance on ex-ante LCA is limited, so this study contributes by incorporating simulations on thermodynamic behaviour, complemented with empirical calculation rules and including information derived from similar technologies to perform the upscaling. These principles of ex-ante LCA were applied to the lab results of two consecutive research iterations. Substantial improvements of the environmental profile were observed: ex-ante results turned out to be a factor 20 lower compared to the results from the lab observations after the first iteration and had decreased by a factor 2 compared to the small pilot scale of the second iteration. All upscaled results are better than those from the worst case reference scenario (landfill). Based on the experience gained after this iterative research cycle, a practical recommendation is that at a low technology readiness level using more simple calculation rules in combination with a flowsheet based on elementary design principles for processes at an industrial scale is a more efficient way of modelling compared to a fully-fledged process design from the start.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000693416000002 Publication Date 2021-06-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.715 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 5.715  
  Call Number UA @ admin @ c:irua:179313 Serial 6922  
Permanent link to this record
 

 
Author Legrand, S.; Vanmeert, F.; van der Snickt, G.; Alfeld, M.; de Nolf, W.; Dik, J.; Janssens, K. url  doi
openurl 
  Title (up) Examination of historical paintings by state-of-the-art hyperspectral imaging methods : from scanning infra-red spectroscopy to computed X-ray laminography Type A1 Journal article
  Year 2014 Publication Heritage science Abbreviated Journal  
  Volume 2 Issue Pages 13-11  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The development of advanced methods for non-destructive selective imaging of painted works of art at the macroscopic level based on radiation in the X-ray and infrared range of the electromagnetic spectrum are concisely reviewed. Such methods allow to either record depth-selective, element-selective or species-selective images of entire paintings. Camera-based full field methods (that record the image data in parallel) can be discerned next to scanning methods (that build up distributions in a sequential manner by scanning a beam of radiation over the surface of an artefact). Six methods are discussed: on the one hand, macroscopic X-ray fluorescence and X-ray diffraction imaging and X-ray laminography and on the other hand macroscopic Mid and Near Infrared hyper- and full spectral imaging and Optical Coherence Tomography. These methods can be considered to be improved versions of the well-established imaging methods employed worldwide for examination of paintings, i.e., X-ray radiography and Infrared reflectography. Possibilities and limitations of these new imaging techniques are outlined.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2014-05-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:124629 Serial 5619  
Permanent link to this record
 

 
Author Janssens, K.; Alfeld, M.; Van der Snickt, G.; De Nolf, W.; Vanmeert, F.; Monico, L.; Legrand, S.; Dik, J.; Cotte, M.; Falkenberg, G.; van der Loeff, L.; Leeuwestein, M.; Hendriks, E. doi  isbn
openurl 
  Title (up) Examination of Vincent van Gogh's paintings and pigments by means of state-of-the-art analytical methods Type H2 Book chapter
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages 373-403 T2 - Science and art : the painted surface  
  Keywords H2 Book chapter; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Recent studies in which X-ray beams of macroscopic to (sub) microscopic dimensions were used for non-destructive analysis and characterization of pigments, paint micro samples and/or entire paintings by Vincent van Gogh are concisely reviewed. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging as well as with the combined use of X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Microscopic and macroscopic XRF are variants of the method that are well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi layers, either on the length scale from 1–100 μm inside micro samples taken from paintings or on the 1–100 cm length scale when the (subsurface) distribution of specific pigments in entire paintings is concerned. In the context of the characterization of van Gogh's pigments subject to natural degradation, the use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS and μ-XRD have proven themselves to be very suitable for such studies. Their use is often combined with microscopic Fourier transform infra-red (μ-FTIR) spectroscopy since this method delivers complementary information at more or less the same length scale as the X-ray microprobe techniques. Also in the context of macroscopic imaging of works of art, the complementary use of X-ray based and infra-red based imaging appears very promising; some recent developments are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-02-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-1-84973-818-7 Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:190782 Serial 7943  
Permanent link to this record
 

 
Author Vansant, P.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T. openurl 
  Title (up) Excited states of the one-dimensional bipolaron in the strong coupling limit Type A3 Journal article
  Year 1994 Publication Bulletin of the American Physical Society Abbreviated Journal  
  Volume 39 Issue Pages 889  
  Keywords A3 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-0503 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:20365 Serial 1109  
Permanent link to this record
 

 
Author Wozniak, T.; Faria, P.E., Jr.; Seifert, G.; Chaves, A.; Kunstmann, J. url  doi
openurl 
  Title (up) Exciton g factors of van der Waals heterostructures from first-principles calculations Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue 23 Pages 235408-235411  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract External fields are a powerful tool to probe optical excitations in a material. The linear energy shift of an excitation in a magnetic field is quantified by its effective g factor. Here we show how exciton g factors and their sign can be determined by converged first-principles calculations. We apply the method to monolayer excitons in semiconducting transition metal dichalcogenides and to interlayer excitons in MoSe2/WSe2 heterobilayers and obtain good agreement with recent experimental data. The precision of our method allows us to assign measured g factors of optical peaks to specific transitions in the band structure and also to specific regions of the samples. This revealed the nature of various, previously measured interlayer exciton peaks. We further show that, due to specific optical selection rules, g factors in van der Waals heterostructures are strongly spin and stacking-dependent. The calculation of orbital angular momenta requires the summation over hundreds of bands, indicating that for the considered two-dimensional materials the basis set size is a critical numerical issue. The presented approach can potentially be applied to a wide variety of semiconductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000537315100009 Publication Date 2020-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:170219 Serial 7944  
Permanent link to this record
 

 
Author Van der Donck, M. url  openurl
  Title (up) Excitonic complexes in transition metal dichalcogenides and related materials Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal  
  Volume Issue Pages 224 p.  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:162525 Serial 5412  
Permanent link to this record
 

 
Author Smits, M.; Vanpachtenbeke, F.; Hauchecorne, B.; van Langenhove, H.; Demeestere, K.; Lenaerts, S. openurl 
  Title (up) Exhaust composition of a small diesel engine Type A2 Journal article
  Year 2012 Publication Communications in agricultural and applied biological sciences Abbreviated Journal  
  Volume 77 Issue 1 Pages 85-88  
  Keywords A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1379-1176 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:94166 Serial 5949  
Permanent link to this record
 

 
Author Aerts, R. openurl 
  Title (up) Experimental and computational study of dielectric barrier discharges for environmental applications Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:121350 Serial 1135  
Permanent link to this record
 

 
Author Duran, T.A.; Šabani, D.; Milošević, M.V.; Sahin, H. doi  openurl
  Title (up) Experimental and theoretical investigation of synthesis and properties of dodecanethiol-functionalized MoS₂ Type A1 Journal article
  Year 2023 Publication Physical chemistry, chemical physics Abbreviated Journal  
  Volume 25 Issue 40 Pages 27141-27150  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Herein, we investigate the DDT (1-dodecanethiol) functionalization of exfoliated MoS2 by using experimental and theoretical tools. For the functionalization of MoS2, DDT treatment was incorporated into the conventional NMP (N-methyl pyrrolidone) exfoliation procedure. Afterward, it has been demonstrated that the functionalization process is successful through optical, morphological and theoretical analysis. The D, G and 2LA peaks seen in the Raman spectrum of exfoliated NMP-MoS2 particles, indicate the formation of graphitic species on MoS2 sheets. In addition, as the DDT ratio increases, the vacant sites on MoS2 sheets diminish. Moreover, at an optimized ratio of DDT-NMP, the maximum number of graphitic quantum dots (GQDs) is observed on MoS2 nanosheets. Specifically, the STEM and AFM data confirm that GQDs reside on the MoS2 nano-sheets and also that the particle size of the DDT-MoS2 is mostly fixed, while the NMP-MoS2 show many smaller and distributed sizes. The comparison of PL intensities of the NMP-MoS2 and DDT-MoS2 samples states a 10-fold increment is visible, and a 60-fold increment in NIR region photoluminescent properties. Moreover, our results lay out understanding and perceptions on the surface and edge chemistry of exfoliated MoS2 and open up more opportunities for MoS2 and GQD particles with broader applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001076998800001 Publication Date 2023-09-29  
  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  
  Impact Factor 3.3 Times cited Open Access  
  Notes Approved Most recent IF: 3.3; 2023 IF: 4.123  
  Call Number UA @ admin @ c:irua:200284 Serial 9033  
Permanent link to this record
 

 
Author Cui, Z. file  openurl
  Title (up) Experimental and theoretical study on SF6 degradation by packed-bed DBD plasma Type Doctoral thesis
  Year 2021 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Sulfur hexafluoride (SF6), as a man-made gas, is widely used in power industry, semiconductor industry and metal-processing industry. However, SF6 is a greenhouse gas and its global warming potential is 23500 times that of CO2. Besides, SF6 is very stable, with a lifetime in the atmosphere for more than one thousand years. Under natural conditions, only the ultraviolet light can make it slowly decomposed. Thus, the emission of SF6 has a great threat to the environment. In recent years, with the development of our national economy, the use of SF6 increased dramatically. And 90% of the SF6 emissions come from the power industry. In the meantime, the emission of SF6 exists a ‘hysteresis effect’, as many of the SF6-gas insulation equipment will retire in next decades, the emission of SF6 may increase sharply, and this may put great pressure on the environment. Therefore, it’s necessary to make efforts in controlling and treating the SF6 emission. Among the SF6 abatement technologies, the non-thermal plasma(NTP) represented by the dielectric barrier discharge(DBD) can effectively degrade SF6 and is suitable for large-scale industry applications. However, its energy efficiency still gets room for improvement and this kind of method has a defect that it’s hard to regulate the degradation by-products. Therefore, this paper proposed the combination of the packed bed reactor and the DBD technology to form a packed DBD discharge system for SF6 degradation, so that to further improve the energy efficiency and regulate the selectivity of by-products. By experiment and simulation research, the following innovations have been achieved: (1) Based on the packed bed DBD platform, the power parameter and gas-phase parameters of SF6 degradation were studied. It was found that the discharge process was significantly enhanced with the addition of packing particles, and the discharge energy efficiency was improved. The increase of input voltage can obviously increase the degradation rate, but reduces the energy efficiency. The increase of SF6 initial concentration and gas flow rate can improve the energy efficiency, but reduce the degradation rate. Therefore, both degradation rate and energy efficiency should be considered in deciding basic experimental conditions. (2) Active gases, such as O2, H2O and NH3, could effectively promote the degradation rate of SF6, and changed the product selectivity. In our packed bed DBD system, O2 and H2O have the optimal concentration conditions, which are 2% and 1%, respectively. The addition of O2 can promote the generation of S-O-F products, and inhibit the selectivity of SO2, while the addition of H2O had the opposite effects. In addition, the synergistic degradation of NH3 and SF6 will produce solid products, such as NH3HF, NH4HF2 and elemental S. For gaseous products, the increase of NH3 will lead to the generation of SO2 in the final degradation products and inhibit the generation of S-O-F products. (3) Different kinds of packing materials have great impacts on the degradation system in the discharge parameters, degradation rate and energy efficiency, as well as the products distribution. In the experiment, we compared the degradation results in three systems: glass beads packing, γ-Al2O3 packing and no-packing system. The packing of glass beads effectively improved the discharge voltage amplitude and discharge power, while had a limited effect on the equivalent capacitance of the dielectric. Besides, γ-Al2O3 packing had little effect on voltage amplitude, but obviously increased the equivalent capacitance of the dielectric. Furthermore, the degradation rate and energy efficiency in γ-Al2O3 system was higher than that of glass bead system. For products selectivity, γ-Al2O3 system was more desirable, where S-O-F type of product selectivity was suppressed and the SO2 selectivity increased significantly. By contrast, the glass beads system hardly affected the product selectivity. This results are presumably due to the relatively high dielectric constant of γ-Al2O3 particles and γ-Al2O3 itself may act as a reactant or a catalyst participating in the degradation reactions. (4) The size and status of the packing particles also have significant effects on the degradation process. The systems packed with 1, 2 and 4mm γ-Al2O3 particles for SF6 degradation were compared, and the 2mm system had the best performance, which may because the 2mm system had a good balance between the active contact area and the gas residence time. In addition, the packing pellets suffered from a hydration process slightly reduced the discharge parameters in the γ-Al2O3 packing system and significantly reduced the degradation rate was, which may because the H2O molecules pre-occupied the active sites on the γ-Al2O3 surface and reduced the discharge process. (5) Based on density functional theory (DFT), the degradation process of SF6 in the packed bed DBD system was studied at atomic scale. It was found that the SF6 can occur a physical adsorption at AlⅢ active sites on γ-Al2O3 surface. The activation barrier for the first degradation step of SF6 on γ-Al2O3 surface is much lower than in gas phase, which proved that the SF6 molecule is activated on the γ-Al2O3 surface. In addition, the plasma may affect the γ-Al2O3 surface to generate excess electrons or external electric fields. This two effects can change the adsorbed SF6 molecules from physical adsorption to chemisorption, together with an obvious stretching of S-F bonds, indicating that the plasma surface effects prmote the activation and decomposition of SF6 molecules. Furthermore, the stepwise degradation process of SF6 on γ-Al2O3 surface were investigated. The influence of radicals produced by plasma on the degradation process was analyzed. It was found that via Eley–Rideal (ER) reactions, high-energy radicals could effectively reduce the activation barriers and promote the surface reactions. Finally, the degradation mechanism of SF6 molecules in the packed bed plasma system was summarized, which may provide a theoretical basis for the study of harmless degradation of SF6. Keywords: SF6; Packed Bed DBD; Discharge Parameters; Products Analysis; Degradation Mechanism  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180819 Serial 7946  
Permanent link to this record
 

 
Author Kummamuru, N.B.; Verbruggen, S.W.; Lenaerts, S.; Perreault, P. pdf  url
doi  openurl
  Title (up) Experimental investigation of methane hydrate formation in the presence of metallic packing Type A1 Journal article
  Year 2022 Publication Fuel Abbreviated Journal Fuel  
  Volume 323 Issue Pages 124269-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Clathrate hydrates gained significant attention as a viable option for large-scale storage of natural gas, primarily methane (CH4). Unlike employing the nanoconfinement for enhancing the nucleation sites and hydrate growth as in the porous materials, whose synthesis is often associated with high costs and poor batch reproducibility, a new approach for promoting CH4 hydrates using pure water (H2O) in an unstirred reactor packed with stainless steel beads (SSB) was proposed in this fundamental work, where the interstitial space between the beads was exploited for enhanced hydrate growth. SSB of two diameters, 5 mm and 2 mm, were used as. a packed bed to investigate their effects on CH4 hydrate formation at 273.65 K, 275.65 K, and 277.65 K with an initial pressure of 6 MPa. The thermal conductivity of SSB packing potentially aided hydrate growth by expelling the hydration heat, while, the results also revealed that driving force has a substantial impact on the rate of CH4 hydrate formation and gas uptake. The experiments conducted in both 5 mm and 2 mm SSB packed bed reactors showed a maximum gas uptake of 0.147 mol CH4/mol H2O at 273.65 K with water to hydrate conversion of 84.42% with no significant variation. The results established the promotion effect on the kinetics of CH4 hydrate formation in the unstirred reactor packed with 2 mm SSB due to the availability of more interstitial space offering multiple nucleation sites for CH4 hydrate by providing a larger specific surface area for H2O-CH4 reaction. Experiments with varying H2O content were also performed and the results showed that the water to hydrate conversion and rate of hydrate formation could be enhanced at a lower H2O content in a packed bed reactor. This study demonstrates that the use of costly or intricate porous materials can be made redundant, by exploiting the interstitial voids in packing of cheap and widely available SSB as a promising alternative material for enhancing the kinetics of artificial CH4 hydrate synthesis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000799165400007 Publication Date 2022-04-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0016-2361 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.4 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 7.4  
  Call Number UA @ admin @ c:irua:187830 Serial 7159  
Permanent link to this record
 

 
Author Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P. pdf  url
doi  openurl
  Title (up) Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM Type A1 Journal article
  Year 2022 Publication The Canadian journal of chemical engineering Abbreviated Journal Can J Chem Eng  
  Volume Issue Pages 1-17  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000859840100001 Publication Date 2022-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-4034; 1939-019x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.1 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.1  
  Call Number UA @ admin @ c:irua:189284 Serial 7160  
Permanent link to this record
 

 
Author Perreault, P.; Robert, E.; Patience, G.S. pdf  doi
openurl 
  Title (up) Experimental methods in chemical engineering : mass spectrometry – MS Type A1 Journal article
  Year 2019 Publication The Canadian journal of chemical engineering Abbreviated Journal  
  Volume 97 Issue 5 Pages 1036-1042  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Mass spectrometry identifies the atomic mass of molecules and fragments in the gas phase. The spectrometer ionizes the molecules that then pass through an electric or magnetic field towards a detector. The field modifies the molecule's trajectory and we infer mass from its direction and velocity in a static field or from the stability of its path in a dynamic field. The electric current is amplified and a mass spectrum is generated from the location or timing of the signal from the detector, translated into a plot of the intensity as a function of the mass‐over‐charge ratio. It is field deployable, measures concentrations in real time with a temporal resolution better than 100 ms, and detection limits of fg. However, the signal drifts with time so we have to calibrate it as frequently as every hour. Calibrating requires multiple mixtures with varying concentrations to map the non‐linear response. The Web of Science Core Collection indexed over 60 000 articles that refer to MS (2016 and 2017) with applications ranging from permanent gas analysis, to identifying protein, forensic science, and natural products. The bibliometric software VOSViewer(2010) identified four clusters of research related to MS: (1) proteomics, proteins, plasma, and metabolomics; (2) solid phase extraction together with gas chromatography; (3) tandem mass spectrometry and liquid chromatography; and (4) waste water and toxicity. We expect that the technique will continue to evolve with increased sensitivity, lower drift, and greater specificity. Miniaturization efforts should also continue in order to develop faster field deployable instruments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000468025000001 Publication Date 2019-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-4034; 1939-019x 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:162123 Serial 7947  
Permanent link to this record
 

 
Author Ngo, N.; Liu, X.; Van Winckel, T.; Massoudieh, A.; Kjellerup, B.V.; Takács, I.; Wett, B.; Mancell-Egala, M.; Sturm, B.; Vlaeminck, S.E.; Al-Omari, A.; Murthy, S.; De Clippeleir, H. openurl 
  Title (up) Experimental metrics to predict the flocculent settling coefficient in a 1D settler model Type P3 Proceeding
  Year 2017 Publication Abbreviated Journal  
  Volume Issue Pages 5 p. T2 - WEFTEC.17, 30 September 4 October 2017,  
  Keywords P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:151111 Serial 7948  
Permanent link to this record
 

 
Author Van 't dack, L.; Beusen, J.-M.; Claesson, T.; Vandelannoote, R.; van Grieken, R.; Gijbels, R. openurl 
  Title (up) Experimental weathering studies of igneous rocks (alkali-granite, granodiorite, gabbro and granite) and sedimentary gneiss under hydrothermal conditions Type P3 Proceeding
  Year 1985 Publication Abbreviated Journal  
  Volume Issue Pages 363-368  
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication S.l. Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:111512 Serial 1146  
Permanent link to this record
 

 
Author Vlasov, E. url  doi
openurl 
  Title (up) Exploiting secondary electrons in transmission electron microscopy for 3D characterization of nanoparticle morphologies Type Doctoral thesis
  Year 2024 Publication Abbreviated Journal  
  Volume Issue Pages x, 118 p.  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract Electron tomography (ET) is an indispensable tool for determining the three-dimensional (3D) structure of nanomaterials in (scanning) transmission electron microscopy ((S)TEM). ET enables 3D characterization of a variety of nanomaterials across different fields, including life sciences, chemistry, solid-state physics, and materials science down to atomic resolution. However, the acquisition of a conventional tilt series for ET is a time-consuming process and thus cannot capture fast transformations of materials in realistic conditions. Moreover, only a limited number of nanoparticles (NPs) can be investigated, hampering a general understanding of the average properties of the material. Therefore, alternative characterization techniques that allow for high-resolution characterization of the surface structure without the need to acquire a full tilt series in ET are required which would enable a more time-efficient investigation with better statistical value. In the first part of this work, an alternative technique for the characterization of the morphology of NPs to improve the throughput and temporal resolution of ET is presented. The proposed technique exploits surface-sensitive secondary electron (SE) imaging in STEM employed using a modification of electron beam-induced current (EBIC) setup. The time- and dose efficiency of SEEBIC are tested in comparison with ET and superior spatial resolution is shown compared to conventional scanning electron microscopy. Finally, contrast artefacts arising in SEEBIC images are described, and their origin is discussed. The second part of my thesis focuses on real applications of the proposed technique and introduces a high-throughput methodology that combines images acquired by SEEBIC with quantitative image analysis to retrieve information about the helicity of gold nanorods. It shows that SEEBIC imaging overcomes the limitation of ET providing a general understanding of the connection between structure and chiroptical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2024-06-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:204905 Serial 9149  
Permanent link to this record
 

 
Author Nicolau, F.; Gielis, J.; Simeone, A.L.; Simoes Lopes, D. pdf  url
doi  openurl
  Title (up) Exploring and selecting supershapes in virtual reality with line, quad, and cube shaped widgets Type P1 Proceeding
  Year 2022 Publication Abbreviated Journal  
  Volume Issue Pages 21-28  
  Keywords P1 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Supershapes are used in Parametric Design to model, literally, thou-sands of natural and man-made shapes with a single 6 parameter formula. However, users are left to probe such a rich yet dense collection of supershapes using a set of independent 1-D sliders. Some of the formula’s parameters are non-linear in nature, making them particularly difficult to grasp with conventional 1-D sliders alone. VR appears as a promising setting for Parametric Design with supershapes since it empowers users with more natural visual inspection and shape browsing techniques, with multiple solutions being displayed at once and the possibility to design more interesting forms of slider interaction. In this work, we propose VR shape widgets that allow users to probe and select supershapes from a multitude of solutions. Our designs take leverage on thumbnails, mini-maps, haptic feedback and spatial interaction, while supporting 1-D, 2-D and 3-D supershape parameter spaces. We conducted a user study (N = 18) and found that VR shape widgets are effective, more efficient, and natural than conventional VR 1-D sliders while also usable for users without prior knowledge on supershapes. We also found that the proposed VR widgets provide a quick overview of the main supershapes, and users can easily reach the desired solution without having to perform fine-grain handle manipulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000828657500003 Publication Date 2022-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-1-6654-9617-9 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:188471 Serial 7161  
Permanent link to this record
 

 
Author Liu, C.(T.); Alvarez-Martin, A.; Keune, K. doi  openurl
  Title (up) Exploring benzyl alcohol derivatives and related compounds in the cleaning of oil paintings Type A1 Journal article
  Year 2023 Publication Studies in conservation Abbreviated Journal  
  Volume Issue Pages 1-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract This study examines five benzyl alcohol derivatives and three chemically similar compounds and compares them against benzyl alcohol in gelled emulsions for the removal of overpaint during cleaning of oil paintings. Comparative cleaning tests using xanthan gels, Pemulen® TR-2 gels, and neat solvent were made on overpaint on fragments of a seventeenth-century test painting. This approach demonstrated that molecular changes to a benzyl alcohol core resulted in enhanced control during the cleaning process. In some cases a benzyl alcohol derivative enabled selective removal of non-original material, when benzyl alcohol appeared to affect the original paint. Select derivatives were also tested in an area of overpaint on a sixteenth-century oil on panel painting by Jan van Scorel in the Rijksmuseum Collection through modifying the chemical activity of benzyl alcohol. Finally, two GC-MS-based methods were used to monitor benzyl alcohol retention and possible oxidation in paint layers post-treatment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001027641300001 Publication Date 2023-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-3630; 2047-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.8 Times cited Open Access  
  Notes Approved Most recent IF: 0.8; 2023 IF: 0.578  
  Call Number UA @ admin @ c:irua:201643 Serial 9034  
Permanent link to this record
 

 
Author Sui, Y.; Vlaeminck, S.E. openurl 
  Title (up) Exploring Dunaliella salina as single cell protein (SCP) : the influence of light/dark regime on the growth and protein synthesis Type A2 Journal article
  Year 2017 Publication Communications in agricultural and applied biological sciences Abbreviated Journal  
  Volume 82 Issue 1 Pages 6-11  
  Keywords A2 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Single cell protein (SCP), or originally named microbial protein, is the edible microbial biomass derived from e.g. microalgae, bacteria and fungi, which can be used as protein sources replacing conventional protein sources for animal feed or human food such as fishmeal and soybean (Anupama & Ravindra 2000). SCP presents great potential as protein supplement to alleviate the problem of food scarcity in the future (Nasseri et al. 2011). In general, microalgae as SCP contains above 50% protein over dry weight and specifically for the marine microalgae Dunaliella salina the amount stays around 57% (Becker 2007). Commercially the most common system for Dunaliella sp. production is the outdoor open pond, thus the microalgal cells are subjected to a natural light/dark cycle (Hosseini Tafreshi & Shariati 2009). Being photo-autotrophic microorganisms, the lack of light energy sources is a risk leading to night biomass loss (Ogbonna & Tanaka 1996). On the other hand, for some microalgae species cell division occurs primarily during the night suggesting its night protein synthesis (Cuhel et al. 1984). As a consequence, day and night metabolisms of microalgae introduced by light/dark cycles potentially will have big impacts on the biomass development, both in growth and biochemical composition. In this study, the effect of the light/dark cycle on the growth and protein synthesis of Dunaliella salina was explored in comparison with continuous light cultivation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1379-1176 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:151148 Serial 7950  
Permanent link to this record
 

 
Author Guzzinati, G. url  openurl
  Title (up) Exploring electron beam shaping in transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:130499 Serial 4180  
Permanent link to this record
 

 
Author Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. url  doi
openurl 
  Title (up) Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 23 Issue 35 Pages 19781-19789  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Molecular Spectroscopy (MolSpec)  
  Abstract The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedforward Neural Network (FNN) yield the best performance for identification of the AC. At its best, FNN allows near-perfect AC determination, with accuracy of prediction up to 0.995, while RF combines good predictive accuracy (up to 0.940) with the ability to identify the spectral areas important for the identification of the AC. No loss in performance of either model is observed as long as the spectral sampling interval used does not exceed the spectral bandwidth. Increasing the sampling interval proves to be the best method to lower the dimensionality of the input data, thereby decreasing the computational cost associated with the training of the models.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000691366500001 Publication Date 2021-08-25  
  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:180290 Serial 7951  
Permanent link to this record
 

 
Author Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E. pdf  doi
openurl 
  Title (up) Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations Type A1 Journal article
  Year 2024 Publication Surfaces and interfaces Abbreviated Journal  
  Volume 46 Issue Pages 104169-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001206950300001 Publication Date 2024-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.2 Times cited Open Access  
  Notes Approved Most recent IF: 6.2; 2024 IF: NA  
  Call Number UA @ admin @ c:irua:205977 Serial 9150  
Permanent link to this record
 

 
Author Alloul, A.; Van Kampen, W.; Cerruti, M.; Wittouck, S.; Pabst, M.; Weissbrodt, D.G. url  doi
openurl 
  Title (up) Exploring the role of antimicrobials in the selective growth of purple phototrophic bacteria through genome mining and agar spot assays Type A1 Journal article
  Year 2022 Publication Letters in applied microbiology Abbreviated Journal Lett Appl Microbiol  
  Volume 75 Issue 5 Pages 1275-1285  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Purple non-sulphur bacteria (PNSB) are an emerging group of microbes attractive for applied microbiology applications such as wastewater treatment, plant biostimulants, microbial protein, polyhydroxyalkanoates and H-2 production. These photoorganoheterotrophic microbes have the unique ability to grow selectively on organic carbon in anaerobic photobioreactors. This so-called selectivity implies that the microbial community will have a low diversity and a high abundance of a particular PNSB species. Recently, it has been shown that certain PNSB strains can produce antimicrobials, yet it remains unclear whether these contribute to competitive inhibition. This research aimed to understand which type of antimicrobial PNSB produce and identify whether these compounds contribute to their selective growth. Mining 166 publicly-available PNSB genomes using the computational tool BAGEL showed that 59% contained antimicrobial encoding regions, more specifically biosynthetic clusters of bacteriocins and non-ribosomal peptide synthetases. Inter- and intra-species inhibition was observed in agar spot assays for Rhodobacter blasticus EBR2 and Rhodopseudomonas palustris EBE1 with inhibition zones of, respectively, 5.1 and 1.5-5.7 mm. Peptidomic analysis detected a peptide fragment in the supernatant (SVLQLLR) that had a 100% percentage identity match with a known non-ribosomal peptide synthetase with antimicrobial activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000837055500001 Publication Date 2022-07-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0266-8254 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.4 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.4  
  Call Number UA @ admin @ c:irua:189519 Serial 7162  
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: