|
Records |
|
Author |
Ghasemitarei, M.; Privat-Maldonado, A.; Yusupov, M.; Rahnama, S.; Bogaerts, A.; Ejtehadi, M.R. |
|
Title |
Effect of Cysteine Oxidation in SARS-CoV-2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from Atomistic Simulations |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Journal Of Chemical Information And Modeling |
Abbreviated Journal |
J Chem Inf Model |
|
Volume |
62 |
Issue |
1 |
Pages |
129-141 |
|
Keywords |
A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Binding of the SARS-CoV-2 S-glycoprotein to cell receptors is vital for the entry of the virus into cells and subsequent infection. ACE2 is the main cell receptor for SARS-CoV-2, which can attach to the C-terminal receptor-binding domain (RBD) of the SARS-CoV-2 S-glycoprotein. The GRP78 receptor plays an anchoring role, which attaches to the RBD and increases the chance of other RBDs binding to ACE2. Although high levels of reactive oxygen and nitrogen species (RONS) are produced during viral infections, it is not clear how they affect the RBD structure and its binding to ACE2 and GRP78. In this research, we apply molecular dynamics simulations to study the effect of oxidation of the highly reactive cysteine (Cys) amino acids of the RBD on its binding to ACE2 and GRP78. The interaction energy of both ACE2 and GRP78 with the whole RBD, as well as with the RBD main regions, is compared in both the native and oxidized RBDs. Our results show that the interaction energy between the oxidized RBD and ACE2 is strengthened by 155 kJ/mol, increasing the binding of the RBD to ACE2 after oxidation. In addition, the interaction energy between the RBD and GRP78 is slightly increased by 8 kJ/mol after oxidation, but this difference is not significant. Overall, these findings highlight the role of RONS in the binding of the SARS-CoV-2 S-glycoprotein to host cell receptors and suggest an alternative mechanism by which RONS could modulate the entrance of viral particles into the cells. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000740019000001 |
Publication Date |
2022-01-10 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1549-9596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.6 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
Fonds Wetenschappelijk Onderzoek, 1200219N ; Binding of the SARS-CoV-2 S-glycoprotein to cell receptors is vital for the entry of the virus into cells and subsequent infection. ACE2 is the main cell receptor for SARS-CoV-2, which can attach to the C-terminal receptor-binding domain (RBD) of the SARS-CoV-2 S-glycoprotein. The GRP78 receptor plays an anchoring role, which attaches to the RBD and increases the chance of other RBDs binding to ACE2. Although high levels of reactive oxygen and nitrogen species (RONS) are produced during viral infections, it is not clear how they affect the RBD structure and its binding to ACE2 and GRP78. In this research, we apply molecular dynamics simulations to study the effect of oxidation of the highly reactive cysteine (Cys) amino acids of the RBD on its binding to ACE2 and GRP78. The interaction energy of both ACE2 and GRP78 with the whole RBD, as well as with the RBD main regions, is compared in both the native and oxidized RBDs. Our results show that the interaction energy between the oxidized RBD and ACE2 is strengthened by 155 kJ/mol, increasing the binding of the RBD to ACE2 after oxidation. In addition, the interaction energy between the RBD and GRP78 is slightly increased by 8 kJ/mol after oxidation, but this difference is not significant. Overall, these findings highlight the role of RONS in the binding of the SARS-CoV-2 S-glycoprotein to host cell receptors and suggest an alternative mechanism by which RONS could modulate the entrance of viral particles into the cells. |
Approved |
Most recent IF: 5.6 |
|
Call Number |
PLASMANT @ plasmant @c:irua:185485 |
Serial |
7050 |
Permanent link to this record |
|
|
|
|
Author |
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. |
|
Title |
Conformational analysis of TMC114, a novel HIV-1 protease inhibitor |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of Chemical Information and Modeling |
Abbreviated Journal |
J Chem Inf Model |
|
Volume |
48 |
Issue |
1 |
Pages |
99-108 |
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000252713700009 |
Publication Date |
2008-01-04 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1549-9596;1549-960X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.76 |
Times cited |
13 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.76; 2008 IF: 3.643 |
|
Call Number |
UA @ lucian @ c:irua:67463 |
Serial |
491 |
Permanent link to this record |
|
|
|
|
Author |
Bal, K.M.; Neyts, E.C. |
|
Title |
Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
J Chem Theory Comput |
|
Volume |
11 |
Issue |
11 |
Pages |
4545-4554 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
The hyperdynamics method is a powerful tool to simulate slow processes at the atomic level. However, the construction of an optimal hyperdynamics potential is a task that is far from trivial. Here, we propose a generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics. First, the use of a collective variable (CV) to represent the accelerated dynamics gives the method a very large flexibility and simplicity. Second, a metadynamics procedure can be used to construct a suitable history-dependent bias potential on-the-fly, effectively turning the algorithm into a self-learning accelerated molecular dynamics method. This collective variable-driven hyperdynamics (CVHD) method has a modular design: both the local system properties on which the bias is based, as well as the characteristics of the biasing method itself, can be chosen to match the needs of the considered system. As a result, system-specific details are abstracted from the biasing algorithm itself, making it extremely versatile and transparent. The method is tested on three model systems: diffusion on the Cu(001) surface and nickel-catalyzed methane decomposition, as examples of reactive processes with a bond-length-based CV, and the folding of a long polymer-like chain, using a set of dihedral angles as a CV. Boost factors up to 109, corresponding to a time scale of seconds, could be obtained while still accurately reproducing correct dynamics. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000362921700004 |
Publication Date |
2015-09-02 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.245 |
Times cited |
41 |
Open Access |
|
|
Notes |
K.M.B. is funded as Ph.D. fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant No. 11 V8915N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), funded by the Hercules Foundation and the Flemish Government−Department EWI. |
Approved |
Most recent IF: 5.245; 2015 IF: 5.498 |
|
Call Number |
c:irua:128183 |
Serial |
3991 |
Permanent link to this record |
|
|
|
|
Author |
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
|
Title |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
|
|
Volume |
19 |
Issue |
1 |
Pages |
245-270 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Accurate barriers for rate controlling elementary reactions on metal surfaces are key to understanding, controlling, and predicting the rate of heterogeneously catalyzed processes. While barrier heights for gas phase reactions have been extensively benchmarked, dissociative chemisorption barriers for the reactions of molecules on metal surfaces have received much less attention. The first database called SBH10 and containing 10 entries was recently constructed based on the specific reaction parameter approach to density functional theory (SRP-DFT) and experimental results. We have now constructed a new and improved database (SBH17) containing 17 entries based on SRP-DFT and experiments. For this new SBH17 benchmark study, we have tested three algorithms (high, medium, and light) for calculating barrier heights for dissociative chemisorption on metals, which we have named for the amount of computational effort involved in their use. We test the performance of 14 density functionals at the GGA, GGA+vdW-DF, and meta-GGA rungs. Our results show that, in contrast with the previous SBH10 study where the BEEF-vdW-DF2 functional seemed to be most accurate, the workhorse functional PBE and the MS2 density functional are the most accurate of the GGA and meta-GGA functionals tested. Of the GGA+vdW functionals tested, the SRP32-vdW-DF1 functional is the most accurate. Additionally, we found that the medium algorithm is accurate enough for assessing the performance of the density functionals tested, while it avoids geometry optimizations of minimum barrier geometries for each density functional tested. The medium algorithm does require metal lattice constants and interlayer distances that are optimized separately for each functional. While these are avoided in the light algorithm, this algorithm is found not to give a reliable description of functional performance. The combination of relative ease of use and demonstrated reliability of the medium algorithm will likely pave the way for incorporation of the SBH17 database in larger databases used for testing new density functionals and electronic structure methods. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000903286100001 |
Publication Date |
2022-12-19 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.5 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 5.5; 2023 IF: 5.245 |
|
Call Number |
UA @ admin @ c:irua:193426 |
Serial |
7274 |
Permanent link to this record |
|
|
|
|
Author |
Bal, K.M. |
|
Title |
Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Journal Of Chemical Theory And Computation |
Abbreviated Journal |
J Chem Theory Comput |
|
Volume |
17 |
Issue |
11 |
Pages |
6766-6774 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000718183600008 |
Publication Date |
2021-10-29 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1549-9618 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.245 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 5.245 |
|
Call Number |
UA @ admin @ c:irua:184676 |
Serial |
8479 |
Permanent link to this record |
|
|
|
|
Author |
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. |
|
Title |
Establishing uniform acceptance in force biased Monte Carlo simulations |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of chemical theory and computation |
Abbreviated Journal |
J Chem Theory Comput |
|
Volume |
8 |
Issue |
6 |
Pages |
1865-1869 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000305092400002 |
Publication Date |
2012-05-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1549-9618;1549-9626; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5.245 |
Times cited |
20 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 5.245; 2012 IF: 5.389 |
|
Call Number |
UA @ lucian @ c:irua:99090 |
Serial |
1082 |
Permanent link to this record |
|
|
|
|
Author |
De Wael, K.; Bashir, Q.; van Vlierberghe, S.; Dubruel, P.; Heering, H.A.; Adriaens, A. |
|
Title |
Electrochemical determination of hydrogen peroxide with cytochrome c peroxidase and horse heart cytochrome c entrapped in a gelatin hydrogel |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
|
Volume |
83 |
Issue |
|
Pages |
15-18 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
A novel and versatile method, based on a membrane-free enzyme electrode in which both the enzyme and a mediator protein are entrapped in a gelatine hydrogel was developed for the fabrication of biosensors. As a proof of principle, we prepared a hydrogen peroxide biosensor by successfully entrapping both horse heart cytochrome c (HHC) and Saccharomyces cerevisae cytochrome c peroxidase (CCP) in a gelatin matrix which is immobilized on a gold electrode. This electrode was first pretreated with 6-mercaptohexanol. The biosensor displayed a rapid response and an expanded linear response range from 0 to 0.3 mM (R = 0.987) with a detection limit of 1 × 10− 5 M in a HEPES buffer solution (pH 7.0). This method of encapsulation is now further investigated for industrial biosensor applications. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000297962500003 |
Publication Date |
2011-08-03 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.346 |
Times cited |
31 |
Open Access |
|
|
Notes |
; Karolien De Wael is grateful to the Research Foundation-Flanders (FWO, Belgium) for her postdoctoral fellowship. ; |
Approved |
Most recent IF: 3.346; 2012 IF: 3.947 |
|
Call Number |
UA @ admin @ c:irua:92067 |
Serial |
5589 |
Permanent link to this record |
|
|
|
|
Author |
Moro, G.; Bottari, F.; Liberi, S.; Covaceuszach, S.; Cassetta, A.; Angelini, A.; De Wael, K.; Moretto, L.M. |
|
Title |
Covalent immobilization of delipidated human serum albumin on poly(pyrrole-2-carboxylic) acid film for the impedimetric detection of perfluorooctanoic acid |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Bioelectrochemistry |
Abbreviated Journal |
Bioelectrochemistry |
|
Volume |
134 |
Issue |
|
Pages |
107540 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
The immobilization of biomolecules at screen printed electrodes for biosensing applications is still an open challenge. To enrich the toolbox of bioelectrochemists, graphite screen printed electrodes (G-SPE) were modified with an electropolymerized film of pyrrole-2-carboxilic acid (Py-2-COOH), a pyrrole derivative rich in carboxylic acid functional groups. These functionalities are suitable for the covalent immobilization of biomolecular recognition layers. The electropolymerization was first optimized to obtain stable and conductive polymeric films, comparing two different electrolytes: sodium dodecyl sulphate (SDS) and sodium perchlorate. The G-SPE modified with Py-2-COOH in 0.1 M SDS solution showed the required properties and were further tested. A proof-of-concept study for the development of an impedimetric sensor for perfluorooctanoic acid (PFOA) was carried out using the delipidated human serum albumin (hSA) as bioreceptor. The data interpretation was supported by size exclusion chromatography and small-angle X-ray scattering (SEC-SAXS) analysis of the bioreceptor-target complex and the preliminary results suggest the possibility to further develop this biosensing strategy for toxicological and analytical studies. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000579727300004 |
Publication Date |
2020-04-27 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
5 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 5; 2020 IF: 3.346 |
|
Call Number |
UA @ admin @ c:irua:172494 |
Serial |
6477 |
Permanent link to this record |
|
|
|
|
Author |
Campos, R.; Thiruvottriyur Shanmugam, S.; Daems, E.; Ribeiro, R.; De Wael, K. |
|
Title |
Development of an electrochemiluminescent oligonucleotide-based assay for the quantification of prostate cancer associated miR-141-3p in human serum |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
|
|
Volume |
153 |
Issue |
|
Pages |
108495-108496 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
Abstract |
MicroRNAs (miRNAs) are small oligonucleotides (18–25 bases), biologically relevant for epigenetic regulation of key processes, particularly in association with cancer. Research effort has therefore been directed towards the monitoring and detection of miRNAs to progress (early) cancer diagnoses. Traditional detection strategies for miRNAs are expensive, with a lengthy time-to-result. In this study we develop an oligonucleotide-based assay using electrochemistry for the specific, selective and sensitive detection of a circulating miRNA (miR-141) associated with prostate cancer. In the assay, the excitation and readout of the signal are independent: an electrochemical stimulation followed by an optical readout. A ‘sandwich’ approach is incorporated, consisting of a biotinylated capture probe immobilised on streptavidin-functionalised surfaces and a detection probe labelled with digoxigenin. We show that the assay allows the detection of miR-141 in human serum, even in the presence of other miRNAs, with a LOD of 0.25 pM. The developed electrochemiluminescent assay has, therefore, the potential for efficient universal oligonucleotide target detection via the redesign of capture and detection probes. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
001031760700001 |
Publication Date |
2023-06-30 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
5 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 01.01.2024 |
|
Notes |
|
Approved |
Most recent IF: 5; 2023 IF: 3.346 |
|
Call Number |
UA @ admin @ c:irua:197615 |
Serial |
8849 |
Permanent link to this record |
|
|
|
|
Author |
Moro, G.; Campos, R.; Daems, E.; Moretto, L.M.; De Wael, K. |
|
Title |
Haem-mediated albumin biosensing : towards voltammetric detection of PFOA |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
|
|
Volume |
152 |
Issue |
|
Pages |
108428-7 |
|
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
Abstract |
The haem group is a promising redox probe for the design of albumin-based voltammetric sensors. Among the endogenous ligands carried by human serum albumin (hSA), haem is characterised by a reversible redox behaviour and its binding kinetics strongly depend on hSA’s conformation, which, in turn, depends on the presence of other ligands. In this work, the potential applicability of haem, especially hemin, as a redox probe was first tested in a proof-of-concept study using perfluorooctanoic acid (PFOA) as model analyte. PFOA is known to bind hSA by occupying Sudlow’s I site (FA7) which is spatially related to the haem-binding site (FA1). The latter undergoes a conformational change, which is expected to affect hemin’s binding kinetics. To verify this hypothesis, hemin:albumin complexes in the presence/absence of PFOA were first screened by UV–Vis spectroscopy. Once the complex formation was verified, haem was further characterised via electrochemical methods to estimate its electron transfer kinetics. The hemin:albumin:PFOA system was studied in solution, with the aim of describing the multiple equilibria at stake and designing an electrochemical assay for PFOA monitoring. This latter could be integrated with protein-based bioremediation approaches for the treatment of per- and polyfluoroalkyl substances polluted waters. Overall, our preliminary results show how hemin can be applied as a redox probe in albumin-based voltammetric sensing strategies. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000971630400001 |
Publication Date |
2023-03-27 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
5 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 5; 2023 IF: 3.346 |
|
Call Number |
UA @ admin @ c:irua:195069 |
Serial |
8876 |
Permanent link to this record |
|
|
|
|
Author |
Pankratov, D.; Hidalgo Martinez, S.; Karman, C.; Gerzhik, A.; Gomila, G.; Trashin, S.; Boschker, H.T.S.; Geelhoed, J.S.; Mayer, D.; De Wael, K.; Meysman, F.J.R. |
|
Title |
The organo-metal-like nature of long-range conduction in cable bacteria |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
|
|
Volume |
157 |
Issue |
|
Pages |
108675-10 |
|
Keywords |
A1 Journal article |
|
Abstract |
Cable bacteria are filamentous, multicellular microorganisms that display an exceptional form of biological electron transport across centimeter-scale distances. Currents are guided through a network of nickel-containing protein fibers within the cell envelope. Still, the mechanism of long-range conduction remains unresolved. Here, we characterize the conductance of the fiber network under dry and wet, physiologically relevant, conditions. Our data reveal that the fiber conductivity is high (median value: 27 S cm−1; range: 2 to 564 S cm−1), does not show any redox signature, has a low thermal activation energy (Ea = 69 ± 23 meV), and is not affected by humidity or the presence of ions. These features set the nickel-based conduction mechanism in cable bacteria apart from other known forms of biological electron transport. As such, conduction resembles that of an organic semi-metal with a high charge carrier density. Our observation that biochemistry can synthesize an organo-metal-like structure opens the way for novel bio-based electronic technologies. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
|
Publication Date |
2024-02-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record |
|
Impact Factor |
5 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 5; 2024 IF: 3.346 |
|
Call Number |
UA @ admin @ c:irua:205117 |
Serial |
9215 |
Permanent link to this record |
|
|
|
|
Author |
Thiruvottriyur Shanmugam, S.; Campos, R.; Trashin, S.; Daems, E.; Carneiro, D.; Fraga, A.; Ribeiro, R.; De Wael, K. |
|
Title |
Singlet oxygen-based photoelectrochemical detection of miRNAs in prostate cancer patients’ plasma : a novel diagnostic tool for liquid biopsy |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
|
|
Volume |
158 |
Issue |
|
Pages |
108698-108699 |
|
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
Abstract |
Dysregulation of miRNA expression occurs in many cancers, making miRNAs useful in cancer diagnosis and therapeutic guidance. In a clinical context using methods such as polymerase chain reaction (PCR), the limited amount of miRNAs in circulation often limits their quantification. Here, we present a PCR-free and sensitive singlet oxygen (1O2)-based strategy for the detection and quantification of miRNAs in untreated human plasma from patients diagnosed with prostate cancer. A target miRNA is specifically captured by functionalised magnetic beads and a detection oligonucleotide probe in a sandwich-like format. The formed complex is concentrated at the sensor surface via magnetic beads, providing an interface for the photoinduced redox signal amplification. The detection oligonucleotide probe bears a molecular photosensitiser, which produces 1O2 upon illumination, oxidising a redox reporter and creating a redox cycling loop, allowing quantification of pM level miRNA in diluted human plasma within minutes after hybridisation and without target amplification. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
|
Publication Date |
2024-04-04 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record |
|
Impact Factor |
5 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 5; 2024 IF: 3.346 |
|
Call Number |
UA @ admin @ c:irua:205281 |
Serial |
9229 |
Permanent link to this record |
|
|
|
|
Author |
Bottari, F.; De Wael, K. |
|
Title |
Electrodeposition of gold nanoparticles on boron doped diamond electrodes for the enhanced reduction of small organic molecules |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. |
Abbreviated Journal |
J Electroanal Chem |
|
Volume |
801 |
Issue |
|
Pages |
521-526 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
The performance of gold nanoparticles electrodeposited on boron doped diamond (BDD) electrodes was investigated in respect to the reduction of chloramphenicol (CAP), an antibiotic of the phenicols family. The chosen deposition protocol, three nucleation-growing pulses, shows a remarkable surface coverage, with an even distribution of average-sized gold particles (~ 50 nm), and it was proven capable of generating a three-fold increase in the CAP reduction current. A calibration plot for CAP detection was obtained in the micromolar range (535 μM) with good correlation coefficient (0.9959) and an improved sensitivity of 0.053 μA μM− 1 mm− 2 compared to the electrochemistry of CAP at a bare BDD electrode. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000411847500065 |
Publication Date |
2017-08-02 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1572-6657 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.012 |
Times cited |
4 |
Open Access |
|
|
Notes |
; This work was financially supported by the University of Antwerp (BOF) and the Research Foundation Flanders (FWO) (project G037415N). ; |
Approved |
Most recent IF: 3.012 |
|
Call Number |
UA @ admin @ c:irua:146372 |
Serial |
5600 |
Permanent link to this record |
|
|
|
|
Author |
Barich, H.; Cánovas, R.; De Wael, K. |
|
Title |
Electrochemical identification of hazardous phenols and their complex mixtures in real samples using unmodified screen-printed electrodes |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Journal of electroanalytical chemistry : an international journal devoted to all aspects of electrode kynetics, interfacial structure, properties of electrolytes, colloid and biological electrochemistry. |
Abbreviated Journal |
J Electroanal Chem |
|
Volume |
904 |
Issue |
|
Pages |
115878 |
|
Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
Abstract |
The electrochemical behavior of some of the most relevant endocrine-disrupting phenols using unmodified carbon screen-printed electrodes (SPEs) is described for the first time. Experiments were made to assess the electrochemical behavior of phenol (PHOH), pentachlorophenol (PCP), 4-tert octylphenol (OP) and bisphenol A (BPA) and their determination in the most favorable conditions, using voltammetric methods such as cyclic voltammetry (CV), linear sweep voltammetry (LSV) and square wave voltammetry (SWV) in Britton Robinson (BR) buffer. Further, the usefulness of the electrochemical approach was validated with real samples from a local river and was compared to commercial phenols test kit, which is commonly used for on-site screening in industrial streams and wastewaters. Finally, the approach was compared with a lab-bench standard method using real samples, i.e., high-performance liquid chromatography with a photodiode array detector (HPLC-DAD). |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000741151200005 |
Publication Date |
2021-11-14 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1572-6657; 1873-2569 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.5 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 4.5 |
|
Call Number |
UA @ admin @ c:irua:184384 |
Serial |
7150 |
Permanent link to this record |
|
|
|
|
Author |
Ortiz-Aguayo, D.; De Wael, K.; del Valle, M. |
|
Title |
Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Journal Of Electroanalytical Chemistry |
Abbreviated Journal |
J Electroanal Chem |
|
Volume |
902 |
Issue |
|
Pages |
115770 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
Abstract |
This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000714415500006 |
Publication Date |
2021-10-13 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1572-6657; 1873-2569 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.012 |
Times cited |
|
Open Access |
OpenAccess |
|
Notes |
|
Approved |
Most recent IF: 3.012 |
|
Call Number |
UA @ admin @ c:irua:184018 |
Serial |
8745 |
Permanent link to this record |
|
|
|
|
Author |
van Meel, K.; Horemans, B.; Krata, A.; Bencs, L.; Buczyńska, A.J.; Dirtu, A.C.; Worobiec, A.; Van Grieken, R. |
|
Title |
Elemental concentrations in aerosols at the Belgian coast versus seasons and air mass trajectories |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Environmental chemistry letters |
Abbreviated Journal |
|
|
Volume |
8 |
Issue |
2 |
Pages |
157-163 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP); Toxicological Centre |
|
Abstract |
Marine aerosols have extensively been monitored in the framework of a research project to investigate the inorganic and organic nutrient fluxes of the atmospheric nitrogen input into the North Sea. As a part of this project bulk analysis was also performed by energy dispersive X-ray fluorescence (EDXRF) on a total of 366 samples in order to provide detailed elemental composition. Samples have been clustered per campaign and differences were related to backward trajectories. Elements as Cl, Si, and S appeared to be the best tracers for coastal aerosols. Therefore they have been chosen to represent each campaign and to map the seasonal variations. It is clear that Cl is an excellent tracer for oceanic trajectories, while a less clear correlation between the soil dust components and the air mass trajectories is found. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000277786900007 |
Publication Date |
2009-02-17 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1610-3653 |
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:82494 |
Serial |
7893 |
Permanent link to this record |
|
|
|
|
Author |
Jaroszewicz, J.; de Nolf, W.; Janssens, K.; Michalski, A.; Falkenberg, G. |
|
Title |
Advantages of combined mu-XRF and mu-XRD for phase characterization of Ti-B-C ceramics compared with conventional X-ray diffraction |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
391 |
Issue |
4 |
Pages |
1129-1133 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000256088700005 |
Publication Date |
2008-05-05 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
7 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.431; 2008 IF: 3.328 |
|
Call Number |
UA @ admin @ c:irua:69317 |
Serial |
5459 |
Permanent link to this record |
|
|
|
|
Author |
Cagno, S.; Janssens, K.; Mendera, M. |
|
Title |
Compositional analysis of Tuscan glass samples: in search of raw materials fingerprints |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
391 |
Issue |
4 |
Pages |
1389-1395 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000256088700035 |
Publication Date |
2008-02-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
26 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.431; 2008 IF: 3.328 |
|
Call Number |
UA @ admin @ c:irua:69320 |
Serial |
5545 |
Permanent link to this record |
|
|
|
|
Author |
Janssens, K.; van Espen, P.; Van 't dack, L. |
|
Title |
Euroanalysis 14: the European Conference on Analytical Chemistry |
Type |
Editorial |
|
Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
391 |
Issue |
4 |
Pages |
1107-1108 |
|
Keywords |
Editorial; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000256088700001 |
Publication Date |
2008-05-05 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
Impact Factor |
3.431 |
Times cited |
|
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.431; 2008 IF: 3.328 |
|
Call Number |
UA @ admin @ c:irua:69316 |
Serial |
5608 |
Permanent link to this record |
|
|
|
|
Author |
Bugani, S.; Camaiti, M.; Morselli, L.; Van de Casteele, E.; Janssens, K. |
|
Title |
Investigating morphological changes in treated vs. untreated stone building materials by x-ray micro-CT |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
391 |
Issue |
4 |
Pages |
1343-1350 |
|
Keywords |
A1 Journal article; Vision lab; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000256088700030 |
Publication Date |
2008-03-14 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
25 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.431; 2008 IF: 3.328 |
|
Call Number |
UA @ admin @ c:irua:69319 |
Serial |
5673 |
Permanent link to this record |
|
|
|
|
Author |
Terzano, R.; Alfeld, M.; Janssens, K.; Vekemans, B.; Schoonjans, T.; Vincze, L.; Tomasi, N.; Pinton, R.; Cesco, S. |
|
Title |
Spatially resolved (semi)quantitative determination of iron (Fe) in plants by means of synchrotron micro X-ray fluorescence |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
405 |
Issue |
10 |
Pages |
3341-3350 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Iron (Fe) is an essential element for plant growth and development; hence determining Fe distribution and concentration inside plant organs at the microscopic level is of great relevance to better understand its metabolism and bioavailability through the food chain. Among the available microanalytical techniques, synchrotron mu-XRF methods can provide a powerful and versatile array of analytical tools to study Fe distribution within plant samples. In the last years, the implementation of new algorithms and detection technologies has opened the way to more accurate (semi)quantitative analyses of complex matrices like plant materials. In this paper, for the first time the distribution of Fe within tomato roots has been imaged and quantified by means of confocal mu-XRF and exploiting a recently developed fundamental parameter-based algorithm. With this approach, Fe concentrations ranging from few hundreds of ppb to several hundreds of ppm can be determined at the microscopic level without cutting sections. Furthermore, Fe (semi)quantitative distribution maps were obtained for the first time by using two opposing detectors to collect simultaneously the XRF radiation emerging from both sides of an intact cucumber leaf. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000316338700033 |
Publication Date |
2013-02-07 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
27 |
Open Access |
|
|
Notes |
; Research was supported by grants from Italian MIUR (FIRB-Programma “Futuro in Ricerca”) and Free University of Bolzano (TN5046 and TN5056). Synchrotron experiments at HASY-LAB were financially supported by the European Community Research Infrastructure Action under the FP6 “Structuring the European Research Area” Program I (Integrating Activity on Synchrotron and Free Electron Laser Science; project: contract RII3-CT-2004-506008). Matthias Alfeld receives a Ph.D. fellowship of the Research Foundation-Flanders (FWO). We thank Karen Rickers-Appel for her scientific and technical support in obtaining the experimental data at Beamline L (HASYLAB, DESY, Hamburg, Germany). ; |
Approved |
Most recent IF: 3.431; 2013 IF: 3.578 |
|
Call Number |
UA @ admin @ c:irua:108261 |
Serial |
5838 |
Permanent link to this record |
|
|
|
|
Author |
Bugani, S.; Modugno, F.; Lucejko, J.J.; Giachi, G.; Cagno, S.; Cloetens, P.; Janssens, K.; Morselli, L. |
|
Title |
Study on the impregnation of archaeological waterlogged wood with consolidation treatments using synchrotron radiation microtomography |
Type |
A1 Journal article |
|
Year |
2009 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
395 |
Issue |
7 |
Pages |
1977-1985 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
In favourable conditions of low temperature and low oxygen concentration, archaeological waterlogged wooden artefacts, such as shipwrecks, can survive with a good state of preservation. Nevertheless, anaerobic bacteria can considerably degrade waterlogged wooden objects with a significant loss in polysaccharidic components. Due to these decay processes, wood porosity and water content increase under ageing. In such conditions, the conservation treatments of archaeological wooden artefacts often involve the replacement of water with substances which fill the cavities and help to prevent collapse and stress during drying. The treatments are very often expensive and technically difficult, and their effectiveness very much depends on the chemical and physical characteristics of the substances used for impregnation. Also important are the degree of cavity-filling, penetration depth and distribution in the structure of the wood. In this study, the distribution in wood cavities of some mixtures based on polyethylene glycols and colophony, used for the conservation of waterlogged archaeological wood, was investigated using synchrotron radiation X-ray computed microtomography (SR-A mu CT). This non-destructive imaging technique was useful for the study of the degraded waterlogged wood and enabled us to visualise the morphology of the wood and the distribution of the materials used in the wood treatments. The study has shown how deposition is strictly related to the dimension of the wooden cavities. The work is currently proceeding with the comparison of synchrotron observations with the data of the solutions viscosity and with those of the properties imparted to the wood by the treatments. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000272017000005 |
Publication Date |
2009-09-16 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
30 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.431; 2009 IF: 3.480 |
|
Call Number |
UA @ admin @ c:irua:94493 |
Serial |
5853 |
Permanent link to this record |
|
|
|
|
Author |
Bogaerts, A. |
|
Title |
Modeling plasmas in analytical chemistry—an example of cross-fertilization |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Analytical And Bioanalytical Chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
412 |
Issue |
24 |
Pages |
6059-6083 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
This paper gives an overview of the modeling work developed in our group in the last 25 years for various plasmas used in analytical spectrochemistry, i.e., glow discharges (GDs), inductively coupled plasmas (ICPs), and laser ablation (LA) for sample introduction in the ICP and for laser-induced breakdown spectroscopy (LIBS). The modeling approaches are briefly presented, which are different for each case, and some characteristic results are illustrated. These plasmas are used not only in analytical chemistry but also in other applications, and the insights obtained in these other fields were quite helpful for us to develop models for the analytical plasmas. Likewise, there is now a huge interest in plasma–liquid interaction, atmospheric pressure glow discharges (APGDs), and dielectric barrier discharges (DBDs) for environmental, medical, and materials applications of plasmas. The insights obtained in these fields are also very relevant for ambient desorption/ionization sources and for liquid sampling, which are nowadays very popular in analytical chemistry, and they could be very helpful in developing models for these sources as well. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000522701700005 |
Publication Date |
2020-03-31 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.3 |
Times cited |
|
Open Access |
|
|
Notes |
M. Aghaei, Z. Chen, D. Autrique, T. Martens, and P. Heirman are gratefully acknowledged for their valuable efforts in the model developments illustrated in this paper. |
Approved |
Most recent IF: 4.3; 2020 IF: 3.431 |
|
Call Number |
PLASMANT @ plasmant @c:irua:168600 |
Serial |
6412 |
Permanent link to this record |
|
|
|
|
Author |
Moro, G.; Barich, H.; Driesen, K.; Montiel, N.F.; Neven, L.; Mendonca, C.D.; Thiruvottriyur Shanmugam, S.; Daems, E.; De Wael, K. |
|
Title |
Unlocking the full power of electrochemical fingerprinting for on-site sensing applications |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Analytical And Bioanalytical Chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
|
Issue |
|
Pages |
1-14 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Electrochemical sensing for the semi-quantitative detection of biomarkers, drugs, environmental contaminants, food additives, etc. shows promising results in point-of-care diagnostics and on-site monitoring. More specifically, electrochemical fingerprint (EF)-based sensing strategies are considered an inviting approach for the on-site detection of low molecular weight molecules. The fast growth of electrochemical sensors requires defining the concept of direct electrochemical fingerprinting in sensing. The EF can be defined as the unique electrochemical signal or pattern, mostly recorded by voltammetric techniques, specific for a certain molecule that can be used for its quantitative or semi-quantitative identification in a given analytical context with specified circumstances. The performance of EF-based sensors can be enhanced by considering multiple features of the signal (i.e., oxidation or reduction patterns), in combination with statistical data analysis or sample pretreatments or by including electrode surface modifiers to enrich the EF. In this manuscript, some examples of EF-based sensors, strategies to improve their performances, and open challenges are discussed to unlock the full power of electrochemical fingerprinting for on-site sensing applications. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000523396300002 |
Publication Date |
2020-04-04 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
4.3 |
Times cited |
3 |
Open Access |
|
|
Notes |
; The presented review is the result of a concerted effort and fruitful discussions among enthusiastic, young, and (for the occasion) female researchers of the AXES research group, each of them with specific expertise and background, under the guidance of the corresponding author. The authors acknowledge FWO-Flanders, BOF-UA, IOF-UA, FAPESP and EU for funding. ; |
Approved |
Most recent IF: 4.3; 2020 IF: 3.431 |
|
Call Number |
UA @ admin @ c:irua:168563 |
Serial |
6647 |
Permanent link to this record |
|
|
|
|
Author |
Swaenen, M.; Stefaniak, E.A.; Frost, R.; Worobiec, A.; Van Grieken, R. |
|
Title |
Investigation of inclusions trapped inside Libyan desert glass by Raman microscopy |
Type |
A1 Journal article |
|
Year |
2010 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
|
|
Volume |
397 |
Issue |
7 |
Pages |
2659-2665 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
|
Abstract |
Several specimens of Libyan desert glass (LDG), an enigmatic natural glass from Egypt, were subjected to investigation by micro-Raman spectroscopy. The spectra of inclusions inside the LDG samples were successfully measured through the layers of glass and the mineral species were identified on this basis. The presence of cristobalite as typical for high-temperature melt products was confirmed, together with co-existing quartz. TiO2 was determined in two polymorphic species rutile and anatase. Micro-Raman spectroscopy proved also the presence of minerals unusual for high-temperature glasses such as anhydrite and aragonite. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000280122100004 |
Publication Date |
2010-01-26 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642; 1618-2650 |
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:83276 |
Serial |
8125 |
Permanent link to this record |
|
|
|
|
Author |
Avigo, D.; Godoi, A.F.L.; Janissek, P.R.; Makarovska, Y.; Krata, A.; Potgieter-Vermaak, S.; Alfoldy, B.; Van Grieken, R.; Godoi, R.H.M. |
|
Title |
Particulate matter analysis at elementary schools in Curitiba, Brazil |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
|
|
Volume |
391 |
Issue |
4 |
Pages |
1459-1468 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000256088700043 |
Publication Date |
2008-03-24 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642; 1618-2650 |
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:68797 |
Serial |
8360 |
Permanent link to this record |
|
|
|
|
Author |
Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M. |
|
Title |
Possibilities of energy-resolved X-ray radiography for the investigation of paintings |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
|
|
Volume |
402 |
Issue |
4 |
Pages |
1471-1480 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000299842000008 |
Publication Date |
2011-07-14 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642; 1618-2650 |
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:96200 |
Serial |
8394 |
Permanent link to this record |
|
|
|
|
Author |
Dillen, A.; Vandezande, W.; Daems, D.; Lammertyn, J. |
|
Title |
Unraveling the effect of the aptamer complementary element on the performance of duplexed aptamers : a thermodynamic study |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Analytical And Bioanalytical Chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
413 |
Issue |
19 |
Pages |
4739-4750 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
Duplexed aptamers (DAs) are widespread aptasensor formats that simultaneously recognize and signal the concentration of target molecules. They are composed of an aptamer and aptamer complementary element (ACE) which consists of a short oligonucleotide that partially inhibits the aptamer sequence. Although the design principles to engineer DAs are straightforward, the tailored development of DAs for a particular target is currently based on trial and error due to limited knowledge of how the ACE sequence affects the final performance of DA biosensors. Therefore, we have established a thermodynamic model describing the influence of the ACE on the performance of DAs applied in equilibrium assays and demonstrated that this relationship can be described by the binding strength between the aptamer and ACE. To validate our theoretical findings, the model was applied to the 29-mer anti-thrombin aptamer as a case study, and an experimental relation between the aptamer-ACE binding strength and performance of DAs was established. The obtained results indicated that our proposed model could accurately describe the effect of the ACE sequence on the performance of the established DAs for thrombin detection, applied for equilibrium assays. Furthermore, to characterize the binding strength between the aptamer and ACEs evaluated in this work, a set of fitting equations was derived which enables thermodynamic characterization of DNA-based interactions through thermal denaturation experiments, thereby overcoming the limitations of current predictive software and chemical denaturation experiments. Altogether, this work encourages the development, characterization, and use of DAs in the field of biosensing. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000659366300001 |
Publication Date |
2021-06-10 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642; 1618-2650 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
|
Open Access |
Not_Open_Access |
|
Notes |
|
Approved |
Most recent IF: 3.431 |
|
Call Number |
UA @ admin @ c:irua:179163 |
Serial |
8713 |
Permanent link to this record |
|
|
|
|
Author |
Martens, T.; Bogaerts, A.; Brok, W.; van Dijk, J. |
|
Title |
Computer simulations of a dielectric barrier discharge used for analytical spectrometry |
Type |
A1 Journal article |
|
Year |
2007 |
Publication |
Analytical and bioanalytical chemistry |
Abbreviated Journal |
Anal Bioanal Chem |
|
Volume |
388 |
Issue |
8 |
Pages |
1583-1594 |
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
Abstract |
|
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
Language |
|
Wos |
000248373300005 |
Publication Date |
2007-04-18 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1618-2642;1618-2650; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
Impact Factor |
3.431 |
Times cited |
28 |
Open Access |
|
|
Notes |
|
Approved |
Most recent IF: 3.431; 2007 IF: 2.867 |
|
Call Number |
UA @ lucian @ c:irua:65036 |
Serial |
466 |
Permanent link to this record |
|
|
|
|
Author |
Cataldo, M.; Evangelista, H.; Simões, J.C.; Godoi, R.H.M.; Simmonds, I.; Hollanda, M.H.; Wainer, I.; Aquino, F.; Van Grieken, R. |
|
Title |
Mineral dust variability in central West Antarctica associated with ozone depletion |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Atmospheric chemistry and physics |
Abbreviated Journal |
|
|
Volume |
13 |
Issue |
4 |
Pages |
2165-2175 |
|
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
Abstract |
We present here data of mineral dust variability retrieved from an ice core of the central West Antarctic, spanning the last five decades. Main evidence provided by the geochemical analysis is that northerly air mass incursions to the coring site, tracked by insoluble dust microparticles, have declined over the past 50 yr. This result contrasts with dust records from ice cores reported to the coastal West Antarctic that show increases since mid-20th century. We attribute this difference to regional climatic changes due to the ozone depletion and its implications to westerly winds. We found that the diameters of insoluble microparticles in the central West Antarctica ice core are significantly correlated with cyclone depth (energy) and wind intensity around Antarctica. |
|
Address |
|
|
Corporate Author |
|
Thesis |
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
Language |
|
Wos |
000315406600027 |
Publication Date |
2013-02-25 |
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
ISSN |
1680-7316; 1680-7324 |
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:105832 |
Serial |
8250 |
Permanent link to this record |