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Records |
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Author |
Moro, G.; De Wael, K.; Moretto, L.M. |
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Title |
Challenges in the electrochemical (bio)sensing of non-electroactive food and environmental contaminants |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Current opinion in electrochemistry |
Abbreviated Journal |
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Volume |
16 |
Issue |
16 |
Pages |
57-65 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The electrochemical detection of non-electroactive contaminants can be successfully faced via the use of indirect detection strategies. These strategies can provide sensitive and selective responses often coupled with portable and user-friendly analytical tools. Indirect detection strategies are usually based on the change in the signal of an electroactive probe, induced by the presence of the target molecule at a modified electrode. This critical review aims at addressing the developments in indirect electro-sensing strategies for non-electroactive contaminants in food and environmental analysis in the last years (2017-2019). Emphasis is given to the strategy design, the electrode modifiers used and the feasibility of technological transfer. |
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Wos |
000485814400010 |
Publication Date |
2019-04-20 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2451-9103; 2451-9111 |
ISBN |
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Additional Links  |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
4 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:159574 |
Serial |
5498 |
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Author |
Sakarika, M.; Spiller, M.; Baetens, R.; Donies, G.; Vanderstuyf, J.; Vinck, K.; Vrancken, K.C.; Van Barel, G.; Du Bois, E.; Vlaeminck, S.E. |
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Title |
Proof of concept of high-rate decentralized pre-composting of kitchen waste : optimizing design and operation of a novel drum reactor |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Waste management |
Abbreviated Journal |
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Volume |
91 |
Issue |
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Pages |
20-32 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Product development |
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Abstract |
Each ton of organic household waste that is collected, transported and composted incurs costs (€75/ton gate fee). Reducing the mass and volume of kitchen waste (
KW) at the point of collection can diminish transport requirements and associated costs, while also leading to an overall reduction in gate fees for final processing. To this end, the objective of this research was to deliver a proof of concept for the so-called “urban pre-composter”; a bioreactor for the decentralized, high-rate pre-treatment of KW, that aims at mass and volume reduction at the point of collection. Results show considerable reductions in mass (33%), volume (62%) and organic solids (32%) of real KW, while provision of structure material and separate collection of leachate was found to be unnecessary. The temperature profile, C/N ratio (12) and VS/TS ratio (0.69) indicated that a mature compost can be produced in 68 days (after pre-composting and main composting). An economic Monte Carlo simulation yielded that the urban pre-composter concept is not more expensive than the current approach, provided its cost per unit is €8,000–€14,500 over a 10-year period (OPEX and CAPEX, in 80% of the cases). The urban pre-composter is therefore a promising system for the efficient pre-treatment of organic household waste in an urban context. |
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Wos |
000473378700003 |
Publication Date |
2019-04-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0956-053x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:159579 |
Serial |
8426 |
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Author |
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
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Title |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
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Volume |
132 |
Issue |
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Pages |
172-181 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to
the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of
the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy
of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher
bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting
in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic
and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic
response upon adsorption of CO. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000472124700023 |
Publication Date |
2019-04-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.059 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 26.04.2021
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Notes |
FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; |
Approved |
Most recent IF: 2.059 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:159656 |
Serial |
5170 |
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| Permanent link to this record |
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Author |
Sui, Y.; Muys, M.; Van de Waal, D.; D'Adamo, S.; Vermeir, P.; Fernandes, T.V.; Vlaeminck, S.E. |
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Title |
Enhancement of co-production of nutritional protein and carotenoids in Dunaliella salina using a two-phase cultivation assisted by nitrogen level and light intensity |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Bioresource technology |
Abbreviated Journal |
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Volume |
287 |
Issue |
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Pages |
121398 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Microalga Dunaliella salina is known for its carotenogenesis. At the same time, it can also produce high-quality protein. The optimal conditions for D. salina to co-produce intracellular pools of both compounds, however, are yet unknown. This study investigated a two-phase cultivation strategy to optimize combined high-quality protein and carotenoid production of D. salina. In phase-one, a gradient of nitrogen concentrations was tested. In phase-two, effects of nitrogen pulse and high illumination were tested. Results reveal optimized protein quantity, quality (expressed as essential amino acid index EAAI) and carotenoids content in a two-phase cultivation, where short nitrogen starvation in phase-one was followed by high illumination during phase-two. Adopting this strategy, productivities of protein, EAA and carotenoids reached 22, 7 and 3 mg/L/d, respectively, with an EAAI of 1.1. The quality of this biomass surpasses FAO/WHO standard for human nutrition, and the observed level of β-carotene presents high antioxidant pro-vitamin A activity. |
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Corporate Author |
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Wos |
000469414500008 |
Publication Date |
2019-04-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0960-8524 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:159661 |
Serial |
7916 |
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Author |
Shi, P.; Liu, M.; Ratkowsky, D.A.; Gielis, J.; Su, J.; Yu, X.; Wang, P.; Zhang, L.; Lin, Z.; Schrader, J. |
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Title |
Leaf area-length allometry and its implications in leaf shape evolution |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Trees: structure and function |
Abbreviated Journal |
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Volume |
33 |
Issue |
4 |
Pages |
1073-1085 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
According to Thompson’s principle of similarity, the area of an object should be proportional to its length squared. However, leaf area–length data of some plants have been demonstrated not to follow the principle of similarity. We explore the reasons why the leaf area–length allometry deviates from the principle of similarity and examine whether there is a general model describing the relationship among leaf area, width and length. We sampled more than 11,800 leaves from six classes of woody and herbaceous plants and tested the leaf area–length allometry. We compared six mathematical models based on root-mean-square error as the measure of goodness-of-fit. The best supported model described a proportional relationship between leaf area and the product of leaf width and length (i.e., the Montgomery model). We found that the extent to which the leaf area–length allometry deviates from the principle of similarity depends upon the extent of variation of the ratio of leaf width to length. Estimates of the parameter of the Montgomery model ranged between 1/2, which corresponds to a triangular leaf with leaf length as its height and leaf width as its base, and π/4, which corresponds to an elliptical leaf with leaf length as its major axis and leaf width as its minor axis, for the six classes of plants. The narrow range in practice of the Montgomery parameter implies an evolutionary stability for the leaf area of large-leaved plants despite the fact that leaf shapes of these plants are rather different. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000475992600010 |
Publication Date |
2019-04-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0931-1890; 1432-2285 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:159970 |
Serial |
8170 |
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Author |
Pourbabak, S.; Montero-Sistiaga, M.L.; Schryvers, D.; Van Humbeeck, J.; Vanmeensel, K. |
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Title |
Microscopic investigation of as built and hot isostatic pressed Hastelloy X processed by Selective Laser Melting |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Materials characterization |
Abbreviated Journal |
Mater Charact |
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Volume |
153 |
Issue |
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Pages |
366-371 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Microstructural characteristics of Hastelloy X produced by Selective Laser Melting have been investigated by various microscopic techniques in the as built (AB) condition and after hot isostatic pressing (HIP). At sub-grain level the AB material consists of columnar high density dislocation cells while the HIP sample consists of columnar sub-grains with lower dislocation density that originate from the original dislocation cells, contradicting existing models. The sub-grains contain nanoscale precipitates enriched in Al, Ti, Cr and O, located at sub-grain boundaries in the AB condition and within the grains after HIP. At some grain boundaries, micrometer sized chromium carbides are detected after HIP. Micro hardness within the grains was found to decrease after HIP, which was attributed to the decrease in dislocation density due to recovery annealing. |
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Corporate Author |
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Place of Publication |
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Wos |
000472696900040 |
Publication Date |
2019-05-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1044-5803 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.714 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
S.P. likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. The authors acknowledge ENGIE Research and Technology Division for the use of the SLM280HL machine and financial support. This work was also made possible through the AUHA13009 grant “TopSPIN for TEM nanostatistics” of the Flemish HERCULES foundation. |
Approved |
Most recent IF: 2.714 |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:159974 |
Serial |
5178 |
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Author |
Heijkers, S.; Martini, L.M.; Dilecce, G.; Tosi, P.; Bogaerts, A. |
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Title |
Nanosecond Pulsed Discharge for CO2Conversion: Kinetic Modeling To Elucidate the Chemistry and Improve the Performance |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
123 |
Issue |
19 |
Pages |
12104-12116 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We study the mechanisms of CO2 conversion in a nanosecond repetitively pulsed (NRP) discharge, by means of a chemical kinetics model. The calculated conversions and energy efficiencies are in reasonable agreement with experimental results over a wide range of specific energy input values, and the same applies to the evolution of gas temperature and CO2 conversion as a function of time in the afterglow, indicating that our model provides a realistic picture of the underlying mechanisms in the NRP discharge and can be used to identify its limitations and thus to suggest further improvements. Our model predicts that vibrational excitation is very important in the NRP discharge, explaining why this type of plasma yields energy-efficient CO2 conversion. A significant part of the CO2 dissociation occurs by electronic excitation from the lower vibrational levels toward repulsive electronic states, thus resulting in dissociation. However, vibration−translation (VT) relaxation (depopulating the higher vibrational levels) and CO + O recombination (CO + O + M → CO2 + M), as well as mixing of the converted gas with fresh gas entering the plasma in between the pulses, are limiting factors for the conversion and energy efficiency. Our model predicts that extra cooling, slowing down the rate of VT relaxation and of the above recombination reaction, thus enhancing the contribution of the highest vibrational levels to the overall CO2 dissociation, can further improve the performance of the NRP discharge for energy-efficient CO2 conversion. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000468368800009 |
Publication Date |
2019-05-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.536 |
Times cited |
4 |
Open Access |
Not_Open_Access: Available from 26.04.2020
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0383.16N ; The authors acknowledge financial support from the Fund for Scientific Research, Flanders (FWO; Grant no. G.0383.16N). |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159976 |
Serial |
5174 |
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Author |
Bogaerts, A.; Yusupov, M.; Razzokov, J.; Van der Paal, J. |
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Title |
Plasma for cancer treatment: How can RONS penetrate through the cell membrane? Answers from computer modeling |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma is gaining increasing interest for cancer
treatment, but the underlying mechanisms are not yet fully
understood. Using computer simulations at the molecular
level, we try to gain better insight in how plasma-generated
reactive oxygen and nitrogen species (RONS) can
penetrate through the cell membrane. Specifically, we
compare the permeability of various (hydrophilic and
hydrophobic) RONS across both oxidized and nonoxidized cell membranes. We also study pore formation,
and how it is hampered by higher concentrations of
cholesterol in the cell membrane, and we illustrate the
much higher permeability of H2O2 through aquaporin
channels. Both mechanisms may explain the selective
cytotoxic effect of plasma towards cancer cells. Finally, we
also discuss the synergistic effect of plasma-induced
oxidation and electric fields towards pore formation.
Keywords plasma medicine, cancer treatment, computer
modelling, cell membrane, reactive oxygen and nitrogen
species |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468848400004 |
Publication Date |
2019-03-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2095-0179 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.712 |
Times cited |
5 |
Open Access |
Not_Open_Access: Available from 23.05.2020
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Notes |
We acknowledge financial support from the Research Foundation–Flanders (FWO; Grant Nos. 1200216N and 11U5416N). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. We are also very thankful to R. Cordeiro for the very interesting discussions. |
Approved |
Most recent IF: 1.712 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159977 |
Serial |
5172 |
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| Permanent link to this record |
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Author |
Uytdenhouwen, Y.; Bal, Km.; Michielsen, I.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. |
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Title |
How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
372 |
Issue |
|
Pages |
1253-1264 |
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Keywords |
A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Plasma (catalysis) reactors are increasingly being used for gas-based chemical conversions, providing an alternative method of energy delivery to the molecules. In this work we explore whether classical concepts such as
equilibrium constants, (overall) rate coefficients, and catalysis exist under plasma conditions. We specifically
investigate the existence of a so-called partial chemical equilibrium (PCE), and how process parameters and
packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in
a DBD plasma reactor. The results show that a PCE can be reached, and that the position of the equilibrium, in
combination with the rate coefficient, greatly depends on the reactor parameters and operating conditions (i.e.,
power, pressure, and gap size). A higher power, higher pressure, or smaller gap size enhance both the equilibrium constant and the rate coefficient, although they cannot be independently tuned. Inserting a packing
material (non-porous SiO2 and ZrO2 spheres) in the reactor reveals interesting gap/material effects, where the
type of material dictates the position of the equilibrium and the rate (inhibition) independently. As a result, no
apparent synergistic effect or plasma-catalytic behaviour was observed for the non-porous packing materials
studied in this reaction. Within the investigated parameters, equilibrium conversions were obtained between 23
and 71%, while the rate coefficient varied between 0.027 s−1 and 0.17 s−1. This method of analysis can provide
a more fundamental insight in the overall reaction kinetics of (catalytic) plasma-based gas conversion, in order
to be able to distinguish plasma effects from true catalytic enhancement. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000471670400116 |
Publication Date |
2019-05-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 05.05.2021
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Notes |
European Fund for Regional Development; FWOFWO, G.0254.14N ; University of Antwerp; FWO-FlandersFWO-Flanders, 11V8915N ; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. K. M. B. was funded as a PhD fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant 11V8915N. |
Approved |
Most recent IF: 6.216 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159979 |
Serial |
5171 |
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| Permanent link to this record |
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Author |
Ramakers, M.; Heijkers, S.; Tytgat, T.; Lenaerts, S.; Bogaerts, A. |
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Title |
Combining CO2 conversion and N2 fixation in a gliding arc plasmatron |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of CO2 utilization |
Abbreviated Journal |
J Co2 Util |
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| |
Volume |
33 |
Issue |
|
Pages |
121-130 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
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| |
Abstract |
Industry needs a flexible and efficient technology to convert CO2 into useful products, which fits in the Carbon Capture and Utilization (CCU) philosophy. Plasma technology is intensively being investigated for this purpose. A promising candidate is the gliding arc plasmatron (GAP). Waste streams of CO2 are often not pure and contain N2 as important impurity. Therefore, in this paper we provide a detailed experimental and computational study of the combined CO2 and N2 conversion in a GAP. Is it possible to take advantage of the presence of N2 in the mixture and to combine CO2 conversion with N2 fixation? Our experiments and simulations reveal that N2 actively contributes to the process of CO2 conversion, through its vibrational levels. In addition, NO and NO2 are formed, with concentrations around 7000 ppm, which is slightly too low for valorization, but by improving the reactor design it must be possible to further increase their concentrations. Other NO-based molecules, in particular the strong greenhouse gas N2O, are not formed in the GAP, which is an important result. We also compare our results with those obtained in other plasma reactors to clarify the differences in underlying plasma processes, and to demonstrate the superiority of the GAP. |
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Wos |
000487274100013 |
Publication Date |
2019-05-22 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2212-9820 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.292 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 23.05.2021
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Notes |
Fund for Scientific Research Flanders, G.0383.16N ; Excellence of Science program of the Fund for Scientific Research, G0F9618N ; Hercules Foundation, the Flemish Government; UAntwerpen; We acknowledge financial support from the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N) and the Excellence of Science program of the Fund for Scientific Research (FWO-FNRS; Grant no. G0F9618N; EOS ID: 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Finally, we also want to thank Dr. Ramses Snoeckx for the very interesting discussions, and A. Fridman and A. Rabinovich for developing the GAP. |
Approved |
Most recent IF: 4.292 |
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| |
Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:159984 |
Serial |
5173 |
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| Permanent link to this record |
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Author |
Florea, A.; Schram, J.; De Jong, M.; Eliaerts, J.; Van Durme, F.; Kaur, B.; Samyn, N.; De Wael, K. |
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Title |
Electrochemical strategies for adulterated heroin samples |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
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| |
Volume |
91 |
Issue |
12 |
Pages |
7920-7928 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Electrochemical strategies to selectively detect heroin in street samples without the use of complicated electrode modifications were developed for the first time. For this purpose, heroin, mixing agents (adulterants, cutting agent, and impurities), and their binary mixtures were subjected to square wave voltammetry measurements at bare graphite electrodes at pH 7.0 and pH 12.0, in order to elucidate the unique electrochemical fingerprint of heroin and mixing agents as well as possible interferences or reciprocal influences. Adjusting the pH from pH 7.0 to pH 12.0 allowed a more accurate detection of heroin in the presence of most common mixing agents. Furthermore, the benefit of introducing a preconditioning step prior to running square wave voltammetry on the electrochemical fingerprint enrichment was explored. Mixtures of heroin with other drugs (cocaine, 3,4-methylenedioxymethamphetamine, and morphine) were also tested to explore the possibility of their discrimination and simultaneous detection. The feasibility of the proposed electrochemical strategies was tested on realistic heroin street samples from forensic cases, showing promising results for fast, on-site detection tools of drugs of abuse. |
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Wos |
000472682000056 |
Publication Date |
2019-05-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.32 |
Times cited |
2 |
Open Access |
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Notes |
; This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 753223 Narcoreader. The authors also acknowledge IOF (UAntwerp) and Belspo for financial support. ; |
Approved |
Most recent IF: 6.32 |
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| |
Call Number |
UA @ admin @ c:irua:160061 |
Serial |
5596 |
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| Permanent link to this record |
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Author |
Yusupov, M.; Razzokov, J.; Cordeiro, R.M.; Bogaerts, A. |
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Title |
Transport of Reactive Oxygen and Nitrogen Species across Aquaporin: A Molecular Level Picture |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Oxidative medicine and cellular longevity |
Abbreviated Journal |
Oxid Med Cell Longev |
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Volume |
2019 |
Issue |
|
Pages |
1-11 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Aquaporins (AQPs) are transmembrane proteins that conduct not only water molecules across the cell membrane but also other solutes, such as reactive oxygen and nitrogen species (RONS), produced (among others) by cold atmospheric plasma (CAP). These RONS may induce oxidative stress in the cell interior, which plays a role in cancer treatment. The underlying mechanisms of the transport of RONS across AQPs, however, still remain obscure. We apply molecular dynamics simulations to investigate the permeation of both hydrophilic (H<sub>2</sub>O<sub>2</sub>and OH) and hydrophobic (NO<sub>2</sub>and NO) RONS through AQP1. Our simulations show that these RONS can all penetrate across the pores of AQP1. The permeation free energy barrier of OH and NO is lower than that of H<sub>2</sub>O<sub>2</sub>and NO<sub>2</sub>, indicating that these radicals may have easier access to the pore interior and interact with the amino acid residues of AQP1. We also study the effect of RONS-induced oxidation of both the phospholipids and AQP1 (i.e., sulfenylation of Cys<sub>191</sub>) on the transport of the above-mentioned RONS across AQP1. Both lipid and protein oxidation seem to slightly increase the free energy barrier for H<sub>2</sub>O<sub>2</sub>and NO<sub>2</sub>permeation, while for OH and NO, we do not observe a strong effect of oxidation. The simulation results help to gain insight in the underlying mechanisms of the noticeable rise of CAP-induced RONS in cancer cells, thereby improving our understanding on the role of AQPs in the selective anticancer capacity of CAP. |
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Wos |
000492999000001 |
Publication Date |
2019-06-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1942-0900 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.593 |
Times cited |
5 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. M.Y. gratefully acknowledges Dr. U. Khalilov for the fruitful discussions. This work was financially supported by the Research Foundation Flanders (FWO) (grant number 1200219N). |
Approved |
Most recent IF: 4.593 |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:160118 |
Serial |
5180 |
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Author |
Bercx, M.; Slap, L.; Partoens, B.; Lamoen, D. |
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Title |
First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
MRS advances |
Abbreviated Journal |
MRS Adv. |
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Volume |
4 |
Issue |
14 |
Pages |
813-820 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance. |
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Wos |
000466846700004 |
Publication Date |
2019-02-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2059-8521 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 22.02.2020
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Notes |
We acknowledge the financial support of FWO-Vlaanderen through project G040116N. 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), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: NA |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:160121 |
Serial |
5179 |
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Author |
Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rodriguez, J.A.; Milošević, M.V.; Peeters, F.M. |
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Title |
Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
31 |
Issue |
26 |
Pages |
265502 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from Gamma-K indirect in isolated monolayer to Gamma-Gamma direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, when applying asymmetric in-plane strain to graphene/GaAs, the graphene sublattice symmetry is broken, and the graphene bandgap is open at the Fermi level to a maximum width of 814 meV. This value is much higher than that reported for just graphene under asymmetric strain. The Gamma-Gamma direct bandgap of GaAs remains unchanged in graphene/ GaAs under different types of applied strain. The analyses of phonon dispersion and the elastic constants yield the dynamical and mechanical stability of the graphene/GaAs system, respectively. The calculated mechanical properties for bilayer heterostructure are better than those of their constituent monolayers. This finding, together with the tunable graphene bandgap not only by the strength but also by the direction of the strain, enhance the potential for strain engineering of ultrathin group-III-V electronic devices hybridized by graphene. |
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Wos |
000465887100001 |
Publication Date |
2019-03-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
6 |
Open Access |
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Notes |
; This work has been carried out with the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216; and the partial support of DGAPA-UNAM project IN114817-3. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; DGTIC-UNAM under project LANCAD-UNAM-DGTIC-150, and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:160216 |
Serial |
5236 |
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Author |
Heyne, M.H.; Marinov, D.; Braithwaite, N.; Goodyear, A.; de Marneffe, J.-F.; Cooke, M.; Radu, I.; Neyts, E.C.; De Gendt, S. |
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Title |
A route towards the fabrication of 2D heterostructures using atomic layer etching combined with selective conversion |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
6 |
Issue |
3 |
Pages |
035030 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Heterostructures of low-dimensional semiconducting materials, such as transition metal dichalcogenides (MX2), are promising building blocks for future electronic and optoelectronic devices. The patterning of one MX2 material on top of another one is challenging due to their structural similarity. This prevents an intrinsic etch stop when conventional anisotropic dry etching processes are used. An alternative approach consist in a two-step process, where a sacrificial silicon layer is pre-patterned with a low damage plasma process, stopping on the underlying MoS2 film. The pre-patterned layer is used as sacrificial template for the formation of the top WS2 film. This study describes the optimization of a cyclic Ar/Cl-2 atomic layer etch process applied to etch silicon on top of MoS2, with minimal damage, followed by a selective conversion of the patterned Si into WS2. The impact of the Si atomic layer etch towards the MoS2 is evaluated: in the ion energy range used for this study, MoS2 removal occurs in the over-etch step over 1-2 layers, leading to the appearance of MoOx but without significant lattice distortions to the remaining layers. The combination of Si atomic layer etch, on top of MoS2, and subsequent Si-to-WS2 selective conversion, allows to create a WS2/MoS2 heterostructure, with clear Raman signals and horizontal lattice alignment. These results demonstrate a scalable, transfer free method to achieve horizontally individually patterned heterostacks and open the route towards wafer-level processing of 2D materials. |
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Wos |
000468335500004 |
Publication Date |
2019-04-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.937 |
Times cited |
|
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:160229 |
Serial |
5266 |
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Author |
Snoeckx, R.; Van Wesenbeeck, K.; Lenaerts, S.; Cha, M.S.; Bogaerts, A. |
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Title |
Suppressing the formation of NOxand N2O in CO2/N2dielectric barrier discharge plasma by adding CH4: scavenger chemistry at work |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Sustainable Energy & Fuels |
Abbreviated Journal |
Sustainable Energy Fuels |
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Volume |
3 |
Issue |
6 |
Pages |
1388-1395 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The need for carbon negative technologies led to the development of a wide array of novel CO<sub>2</sub>conversion techniques. Most of them either rely on high temperatures or generate highly reactive O species, which can lead to the undesirable formation of NO<sub>x</sub>and N<sub>2</sub>O when the CO<sub>2</sub>feeds contain N<sub>2</sub>. Here, we show that, for plasma-based CO<sub>2</sub>conversion, adding a hydrogen source, as a chemical oxygen scavenger, can suppress their formation,<italic>in situ</italic>. This allows the use of low-cost N<sub>2</sub>containing (industrial and direct air capture) feeds, rather than expensive purified CO<sub>2</sub>. To demonstrate this, we add CH<sub>4</sub>to a dielectric barrier discharge plasma used for converting impure CO<sub>2</sub>. We find that when adding a stoichiometric amount of CH<sub>4</sub>, 82% less NO<sub>2</sub>and 51% less NO are formed. An even higher reduction (96 and 63%) can be obtained when doubling this amount. However, in that case the excess radicals promote the formation of by-products, such as HCN, NH<sub>3</sub>and CH<sub>3</sub>OH. Thus, we believe that by using an appropriate amount of chemical scavengers, we can use impure CO<sub>2</sub>feeds, which would bring us closer to ‘real world’ conditions and implementation. |
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Wos |
000469258600021 |
Publication Date |
2019-02-20 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2398-4902 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G0F9618N ; Universiteit Antwerpen; King Abdullah University of Science and Technology, BAS/1/1384-01-01 ;The research reported in this publication was supported by funding from the “Excellence of Science Program” (Fund for Scientic Research Flanders (FWO): grant no. G0F9618N; EOS ID: 30505023). The authors R. S. and M. S. C. acknowledge nancial support from King Abdullah University of Science and Technology (KAUST), under award number BAS/1/1384-01-01. |
Approved |
Most recent IF: NA |
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Call Number |
PLASMANT @ plasmant @UA @ admin @ c:irua:160268 |
Serial |
5188 |
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Author |
Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. |
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Title |
Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Frontiers of Chemical Science and Engineering |
Abbreviated Journal |
Front Chem Sci Eng |
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Volume |
13 |
Issue |
2 |
Pages |
324-329 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Molecular dynamics simulations are carried out for describing growth of Pd and PdO nanoclusters using the ReaxFF force field. The resulting nanocluster structures are successfully compared to those of nanoclusters experimentally grown in a gas aggregation source. The PdO structure is quasi-crystalline as revealed by high resolution transmission microscope analysis for experimental PdO nanoclusters. The role of the nanocluster temperature in the molecular dynamics simulated growth is highlighted. |
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Place of Publication |
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Wos |
000468848400009 |
Publication Date |
2019-03-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2095-0179 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.712 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 1.712 |
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Call Number |
UA @ admin @ c:irua:160278 |
Serial |
5276 |
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Author |
Kontogiannidou, E.; Karavasili, C.; Kouskoura, M.G.; Filippousi, M.; Van Tendeloo, G.; Andreadis, I.I.; Eleftheriadis, G.K.; Kontopoulou, I.; Markopoulou, C.K.; Bouropoulos, N.; Fatouros, D.G. |
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Title |
In vitro and ex vivo assessment of microporous Faujasite zeolite (NaX-FAU) as a carrier for the oral delivery of danazol |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of drug delivery science and technology |
Abbreviated Journal |
J Drug Deliv Sci Tec |
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Volume |
51 |
Issue |
51 |
Pages |
177-184 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) |
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Abstract |
Microporous zeolite NaX-FAU has been systemically evaluated for the oral delivery of the poorly water-soluble compound danazol. For this purpose, danazol-loaded zeolitic particles were prepared by the incipient wetness method and were characterized by means of N-2 physisorption, X-ray diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and high-resolution transmission electron microscopy (HRTEM). The zeolitic formulation shows a high drug payload and drug stability over a period of six months under accelerated storage conditions. The dissolution profile of danazol-loaded zeolitic particles was assessed in simulated gastric fluid (SGF) pH 1.2; fasted state simulated intestinal fluids (FaSSIF) and fed state simulated intestinal fluid (FeSSIF) showing a gradual and increasing drug dissolution in the different media. Ex vivo studies using the everted gut sac model show an increased drug transport across rat intestinal epithelium when loaded in the zeolitic particles. Our results suggest that microporous Faujasite zeolite (NaX-FAU) could be used as a drug delivery system to facilitate the oral delivery of poorly water soluble compounds. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468750300018 |
Publication Date |
2019-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1773-2247; 2588-8943 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.194 |
Times cited |
3 |
Open Access |
Not_Open_Access: Available from 27.08.2020
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| |
Notes |
; This research was supported by General Secretariat for Research and Technology, Greece – Research Program “Excellence II, 4766”. The authors acknowledge financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI). ; |
Approved |
Most recent IF: 1.194 |
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| |
Call Number |
UA @ admin @ c:irua:160279 |
Serial |
5252 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. |
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| |
Title |
C3N Monolayer: Exploring the Emerging of Novel Electronic and Magnetic Properties with Adatom Adsorption, Functionalizations, Electric Field, Charging, and Strain |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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| |
Volume |
123 |
Issue |
19 |
Pages |
12485-12499 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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| |
Abstract |
Two-dimensional polyaniline with structural unit C3N is an indirect semiconductor with 0.4 eV band gap, which has attracted a lot of interest because of its unusual electronic, optoelectronic, thermal, and mechanical properties useful for various applications. Adsorption of adatoms is an effective method to improve and tune the properties of C3N. Using first-principles calculations, we investigated the adsorption of adatoms, including H, O, S, F, Cl, B, C, Si, N, P, Al, Li, Na, K, Be, Mg, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn, on C3N. Depending on the adatom size and the number of valence electrons, they may induce metallic, half-metallic, semiconducting, and ferromagnetic-metallic behavior. In addition, we investigate the effects of an electrical field, charging, and strain on C3N and found how the electronic and magnetic properties are modified. Semi- and full hydrogenation are studied. From the mechanical and thermal stability of C3N monolayer, we found it to be a hard material that can withstand large strain. From our calculations, we gained novel insights into the properties of C3N demonstrating its unique electronic and magnetic properties that can be useful for semiconducting, nanosensor, and catalytic applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000468368800053 |
Publication Date |
2019-04-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
67 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FW0-V1). The authors thank Keyvan Nazifi from the Cluster Center of Faculty of Science, Guilan University, for his help. They acknowledge OpenMX team for OpenMX code. ; |
Approved |
Most recent IF: 4.536 |
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| |
Call Number |
UA @ admin @ c:irua:160323 |
Serial |
5196 |
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| Permanent link to this record |
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Author |
Yagmurcukardes, M.; Ozen, S.; Iyikanat, F.; Peeters, F.M.; Sahin, H. |
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| |
Title |
Raman fingerprint of stacking order in HfS2-Ca(OH)(2) heterobilayer |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
20 |
Pages |
205405 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Using density functional theory-based first-principles calculations, we investigate the stacking order dependence of the electronic and vibrational properties of HfS2-Ca(OH)(2) heterobilayer structures. It is shown that while the different stacking types exhibit similar electronic and optical properties, they are distinguishable from each other in terms of their vibrational properties. Our findings on the vibrational properties are the following: (i) from the interlayer shear (SM) and layer breathing (LBM) modes we are able to deduce the AB' stacking order, (ii) in addition, the AB' stacking type can also be identified via the phonon softening of E-g(I) and A(g)(III) modes which harden in the other two stacking types, and (iii) importantly, the ultrahigh frequency regime possesses distinctive properties from which we can distinguish between all stacking types. Moreover, the differences in optical and vibrational properties of various stacking types are driven by two physical effects, induced biaxial strain on the layers and the layer-layer interaction. Our results reveal that with both the phonon frequencies and corresponding activities, the Raman spectrum possesses distinctive properties for monitoring the stacking type in novel vertical heterostructures constructed by alkaline-earth-metal hydroxides. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000467387800010 |
Publication Date |
2019-05-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the Project No. 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:160334 |
Serial |
5226 |
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| Permanent link to this record |
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Author |
Jishkariani, D.; Elbert, K.C.; Wu, Y.; Lee, J.D.; Hermes, M.; Wang, D.; van Blaaderen, A.; Murray, C.B. |
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Title |
Nanocrystal Core Size and Shape Substitutional Doping and Underlying Crystalline Order in Nanocrystal Superlattices |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
13 |
Issue |
5 |
Pages |
5712-5719 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Substitutional doping is a potentially powerful technique to control the properties of nanocrystal (NC) superlattices (SLs). However, not every NC can be substituted into any lattice, as the NCs have to be close in size and shape, limiting the application of substitutional doping. Here we show that this limitation can be overcome by employing ligands of various size. We show that small NCs with long ligands can be substituted into SLs of big NCs with short ligands. Furthermore, we show that shape differences can also be overcome and that cubes can substitute spheres when both are coated with long ligands. Finally, we use the NC effective ligand size, softness, and effective overall size ratio to explain observed doping behaviors. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000469886300078 |
Publication Date |
2019-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
13.942 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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Notes |
; This work was supported by the University of Pennsylvania's NSF MRSEC under award no. DMR-112090 and the CNRS-UPENN-SOLVAY through the Complex Assemblies of Soft Matter Laboratory (COMPASS). K.C.E. acknowledges support from the NSF Graduate Research Fellowship Program under grant no. DGE-1321851. C.B.M. acknowledges the Richard Perry University Professorship at the University of Pennsylvania. D.W. and A.v.B. acknowledge partial funding from the European Research Council under the European Union's Seventh Framework Programme (FP -2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. M.H. was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The authors thank EM square in Utrecht University for the access to the microscopes. ; |
Approved |
Most recent IF: 13.942 |
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| |
Call Number |
UA @ admin @ c:irua:160344 |
Serial |
5256 |
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| Permanent link to this record |
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Author |
Kim, Y.; Che, F.; Jo, J.W.; Choi, J.; de Arquer, F.P.G.; Voznyy, O.; Sun, B.; Kim, J.; Choi, M.-J.; Quintero-Bermudez, R.; Fan, F.; Tan, C.S.; Bladt, E.; Walters, G.; Proppe, A.H.; Zou, C.; Yuan, H.; Bals, S.; Hofkens, J.; Roeffaers, M.B.J.; Hoogland, S.; Sargent, E.H. |
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Title |
A Facet-Specific Quantum Dot Passivation Strategy for Colloid Management and Efficient Infrared Photovoltaics |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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| |
Volume |
31 |
Issue |
31 |
Pages |
1805580 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Colloidal nanocrystals combine size- and facet-dependent properties with solution processing. They offer thus a compelling suite of materials for technological applications. Their size- and facet-tunable features are studied in synthesis; however, to exploit their features in optoelectronic devices, it will be essential to translate control over size and facets from the colloid all the way to the film. Larger-diameter colloidal quantum dots (CQDs) offer the attractive possibility of harvesting infrared (IR) solar energy beyond absorption of silicon photovoltaics. These CQDs exhibit facets (nonpolar (100)) undisplayed in small-diameter CQDs; and the materials chemistry of smaller nanocrystals fails consequently to translate to materials for the short-wavelength IR regime. A new colloidal management strategy targeting the passivation of both (100) and (111) facets is demonstrated using distinct choices of cations and anions. The approach leads to narrow-bandgap CQDs with impressive colloidal stability and photoluminescence quantum yield. Photophysical studies confirm a reduction both in Stokes shift (approximate to 47 meV) and Urbach tail (approximate to 29 meV). This approach provides a approximate to 50% increase in the power conversion efficiency of IR photovoltaics compared to controls, and a approximate to 70% external quantum efficiency at their excitonic peak. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000465600000001 |
Publication Date |
2019-03-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0935-9648 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
74 |
Open Access |
OpenAccess |
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| |
Notes |
; Y.K., F.C., J.W.J., and J.C. contributed equally. This work was supported by King Abdullah University of Science and Technology (KAUST, Office of Sponsored Research (OSR), Award No. OSR-2017-CPF-3325) and Ontario Research Fund-Research Excellence program (ORF7-Ministry of Research and Innovation, Ontario Research Fund-Research Excellence Round 7). E.B. gratefully acknowledges financial support by the Research Foundation-Flanders (FWO Vlaanderen). Y.K. received financial support from the DGIST R&D Programs of the Ministry of Science, ICT & Future Planning of Korea (18-ET-01). M.B.J.R. and J.H. acknowledge financial support from the Research Foundation-Flanders (FWO, grants nr ZW15_09-GOH6316 and G.098319N) and the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04). H.Y. acknowledges the Research Foundation-Flanders (FWO) for a postdoctoral fellowship. The authors thank L. Levina, R. Wolowiec, D. Kopilovic, and E. Palmiano for their technical help over the course of this research. ; |
Approved |
Most recent IF: 19.791 |
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Call Number |
UA @ admin @ c:irua:160392 |
Serial |
5239 |
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| Permanent link to this record |
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Author |
Gu, J.-G.; Zhang, Y.; Gao, M.-X.; Wang, H.-Y.; Zhang, Q.-Z.; Yi, L.; Jiang, W. |
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Title |
Enhancement of surface discharge in catalyst pores in dielectric barrier discharges |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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| |
Volume |
125 |
Issue |
15 |
Pages |
153303 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The generation of high-density plasmas on the surface of porous catalysts is very important for plasma catalysis, as it determines the active surface of the catalyst that is available for the reaction. In this work, we investigate the mechanism of surface and volume plasma streamer formation and propagation near micro-sized pores in dielectric barrier discharges operating in air at atmospheric pressure. A two-dimensional particle-in-cell/ Monte Carlo collision model is used to model the individual kinetic behavior of plasma species. Our calculations indicate that the surface discharge is enhanced on the surface of the catalyst pores compared with the microdischarge inside the catalyst pores. The reason is that the surface ionization wave induces surface charging along the catalyst pore sidewalls, leading to a strong electric field along the pore sidewalls, which in turn further enhances the surface discharge. Therefore, highly concentrated reactive species occur on the surfaces of the catalyst pores, indicating high-density plasmas on the surface of porous catalysts. Indeed, the maximum electron impact excitation and ionization rates occur on the pore surface, indicating the more pronounced production of excited state and electron-ion pairs on the pore surface than inside the pore, which may profoundly affect the plasma catalytic process. Published under license by AIP Publishing. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000465441200022 |
Publication Date |
2019-04-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:160397 |
Serial |
5273 |
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| Permanent link to this record |
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Author |
Monico, L.; Sorace, L.; Cotte, M.; de Nolf, W.; Janssens, K.; Romani, A.; Miliani, C. |
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Title |
Disclosing the binding medium effects and the pigment solubility in the (photo)reduction process of chrome yellows (PbCrO4/PbCr1-xSxO4) |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS Omega |
Abbreviated Journal |
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| |
Volume |
4 |
Issue |
4 |
Pages |
6607-6619 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The darkening due to chemical alteration of chrome yellows (PbCrO4/PbCr1-xSxO4) is a phenomenon threatening a large number of 19th-20th century paintings, including the Amsterdam Sunflowers by Vincent van Gogh. Our earlier studies have proven that the alteration is due to a Cr(VI) -> Cr(III) reduction with Cr(V)-species that are formed as long-lived intermediates and that bCr(1-x)S(x)O(4) (0 < x <= 0.8) types undergo reduction more readily than monoclinic, S-free, PbCrO4. In this context, there is still lack of knowledge about the effects of the chemical properties of the binding medium (i.e., chemical composition and drying process) and the solubility of chrome yellows on the overall reduction pathways. Here, we study a series of naturally and photochemically aged mock-up paints prepared by mixing chrome yellow powders (PbCrO4/PbCr0.2S0.8O4) with either linseed oil or a water-based acrylic emulsion as the binding medium. Equivalent paints made up of the highly soluble K2CrO4 were also investigated and used as benchmarks to provide a more in-depth understanding of the influence of the solubility on the chromate reduction pathways in the two different binders. A combination of synchrotron radiation-based Cr K-edge X-ray absorption near edge structure (XANES), electron paramagnetic resonance (EPR), and UV-Visible spectroscopy measurements shows that: (1) the Cr(VI) reduction results from the interaction between the pigment and the binder; (2) the process is more significant in oil, giving rise to Cr(V)- and Cr(III)-species as well as oxidized organic compounds; (3) the lightfastness of the chrome yellow pigment is enhanced in the acrylic binder; and (4) the tendency toward chromium reduction increases with increasing solubility of the pigment. Based on our findings, we propose a scheme for the mechanism of the (photo)reduction process of chrome yellows in the oil and acrylic binder. Overall, our results provide new insights into the factors driving the degradation of lead chromate-based paints in artworks and contribute to the development of strategies for preserving them over time. |
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Corporate Author |
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Place of Publication |
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Wos |
000466552500057 |
Publication Date |
2019-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2470-1343 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
4 |
Open Access |
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Notes |
; The research was financially supported by the European research project IPERION-CH, funded by the European Commission, H2020-INFRAIA-2014-2015 (grant agreement n. 654028), and by the project AMIS, within the program Dipartimenti di Eccellenza 2018-2022, funded by MIUR and University of Perugia. The University of Perugia is also acknowledged for financial support under the program “Ricerca di Base 2017”. L.S. acknowledges the financial support of Ente CRF. For the beamtime grants received, we thank the ESRF (experiment no. HG64 and in-house beamtimes). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160416 |
Serial |
5577 |
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Author |
Gonzalez-Rubio, G.; Kumar, V.; Llombart, P.; Diaz-Nunez, P.; Bladt, E.; Altantzis, T.; Bals, S.; Pena-Rodriguez, O.; Noya, E.G.; MacDowell, L.G.; Guerrero-Martinez, A.; Liz-Marzan, L.M. |
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Title |
Disconnecting Symmetry Breaking from Seeded Growth for the Reproducible Synthesis of High Quality Gold Nanorods |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
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| |
Volume |
13 |
Issue |
13 |
Pages |
4424-4435 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
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Abstract |
One of the major difficulties hindering the widespread application of colloidal anisotropic plasmonic nanoparticles is the limited robustness and reproducibility of multistep synthetic methods. We demonstrate herein that the reproducibility and reliability of colloidal gold nanorod (AuNR) synthesis can be greatly improved by disconnecting the symmetry-breaking event from the seeded growth process. We have used a modified silver-assisted seeded growth method in the presence of the surfactant hexadecyltrimethylammonium bromide and n-decanol as a co-surfactant to prepare small AuNRs in high yield, which were then used as seeds for the growth of high quality AuNR colloids. Whereas the use of n-decanol provides a more-rigid micellar system, the growth on anisotropic seeds avoids sources of irreproducibility during the symmetry breaking step, yielding uniform AuNR colloids with narrow plasmon bands, ranging from 600 to 1270 nm, and allowing the fine-tuning of the final dimensions. This method provides a robust route for the preparation of high quality AuNR colloids with tunable morphology, size, and optical response in a reproducible and scalable manner. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000466052900067 |
Publication Date |
2019-04-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1936-0851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.942 |
Times cited |
100 |
Open Access |
OpenAccess |
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Notes |
; This work has been funded by the Spanish MINECO (grant nos. FIS2017-89361-C3-2-P and MAT2017-86659-R), the Madrid Regional Government (grant no. P2018/NMT-4389) and the Complutense University of Madrid (grant no. PR75/18-21616). Funding is acknowledged from the European Commission (grant no. EUSMI 731019). G.G.-R. acknowledges receipt of FPI Fellowship from the Spanish MINECO. E.B. and T.A. acknowledge postdoctoral grants from the Research Foundation Flanders (FWO). The authors are indebted to Profs. Justin Gooding, Watson Loh, Nicholas Kotov, Deqing Zhang, Mihaela Delcea, Maurizio Prato, and Krishna Ganesh, for providing milli-Q water samples. ; |
Approved |
Most recent IF: 13.942 |
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| |
Call Number |
UA @ admin @ c:irua:160417 |
Serial |
5246 |
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Author |
Conings, B.; Babayigit, A.; Klug, M.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J.T.-W.; Verbeeck, J.; Boyen, H.-G.; Snaith, H. |
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Title |
Getting rid of anti-solvents: gas quenching for high performance perovskite solar cells |
Type |
P1 Proceeding |
| |
Year |
2018 |
Publication |
2018 Ieee 7th World Conference On Photovoltaic Energy Conversion (wcpec)(a Joint Conference Of 45th Ieee Pvsc, 28th Pvsec & 34th Eu Pvsec) |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
As the field of perovskite optoelectronics developed, a plethora of strategies has arisen to control their electronic and morphological characteristics for the purpose of producing high efficiency devices. Unfortunately, despite this wealth of deposition approaches, the community experiences a great deal of irreproducibility between different laboratories, batches and preparation methods. Aiming to address this issue, we developed a simple deposition method based on gas quenching that yields smooth films for a wide range of perovskite compositions, in single, double, triple and quadruple cation varieties, and produces planar heterojunction devices with competitive efficiencies, so far up to 20%. |
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Place of Publication |
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Language |
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Wos |
000469200401163 |
Publication Date |
2018-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-5386-8529-7 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:160468 |
Serial |
5365 |
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Asapu, R.; Claes, N.; Ciocarlan, R.-G.; Minjauw, M.; Detavernier, C.; Cool, P.; Bals, S.; Verbruggen, S.W. |
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Title |
Electron Transfer and Near-Field Mechanisms in Plasmonic Gold-Nanoparticle-Modified TiO2Photocatalytic Systems |
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A1 Journal article |
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Year |
2019 |
Publication |
ACS applied nano materials |
Abbreviated Journal |
ACS Appl. Nano Mater. |
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Volume |
2 |
Issue |
2 |
Pages |
4067-4074 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The major mechanism responsible for plasmonic enhancement of titanium dioxide photocatalysis using gold nanoparticles is still under contention. This work introduces an experimental strategy to disentangle the significance of the charge transfer and near-field mechanisms in plasmonic photocatalysis. By controlling the thickness and conductive nature of a nanoparticle shell that acts as a spacer layer separating the plasmonic metal core from the TiO2 surface, field enhancement or charge transfer effects can be selectively repressed or evoked. Layer-by-layer and in situ polymerization methods are used to synthesize gold core–polymer shell nanoparticles with shell thickness control up to the sub-nanometer level. Detailed optical and electrical characterization supported by near-field simulation models corroborate the trends in photocatalytic activity of the different systems. This approach mainly points at an important contribution of the enhanced near field. |
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Wos |
000477917700006 |
Publication Date |
2019-05-31 |
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Edition |
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ISSN |
2574-0970 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
32 |
Open Access |
OpenAccess |
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Notes |
This work was supported by Research Foundation Flanders (FWO). P.C. and R-G.C. acknowledge financial support from FWO (Project No. G038215N). N.C. and S.B. acknowledge financial support from the European Research Council (ERC Starting Grant No. 335078-COLOURATOM). |
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Most recent IF: NA |
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Call Number |
EMAT @ emat @UA @ admin @ c:irua:160579 |
Serial |
5184 |
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Author |
Grunert, O.; Robles-Aguilar, A.A.; Hernandez-Sanabria, E.; Schrey, S.D.; Reheul, D.; Van Labeke, M.-C.; Vlaeminck, S.E.; Vanderkerckhove, T.G.L.; Mysara, M.; Monsieurs, P.; Temperton, V.M.; Boon, N.; Jablonowski, N.D. |
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Title |
Tomato plants rather than fertilizers drive microbial community structure in horticultural growing media |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Scientific reports |
Abbreviated Journal |
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Volume |
9 |
Issue |
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Pages |
9561 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Synthetic fertilizer production is associated with a high environmental footprint, as compounds typically dissolve rapidly leaching emissions to the atmosphere or surface waters. We tested two recovered nutrients with slower release patterns, as promising alternatives for synthetic fertilizers: struvite and a commercially available organic fertilizer. Using these fertilizers as nitrogen source, we conducted a rhizotron experiment to test their effect on plant performance and nutrient recovery in juvenile tomato plants. Plant performance was significantly improved when organic fertilizer was provided, promoting higher shoot biomass. Since the microbial community influences plant nitrogen availability, we characterized the root-associated microbial community structure and functionality. Analyses revealed distinct root microbial community structure when different fertilizers were supplied. However, plant presence significantly increased the similarity of the microbial community over time, regardless of fertilization. Additionally, the presence of the plant significantly reduced the potential ammonia oxidation rates, implying a possible role of the rhizosheath microbiome or nitrification inhibition by the plant. Our results indicate that nitrifying community members are impacted by the type of fertilizer used, while tomato plants influenced the potential ammonia-oxidizing activity of nitrogen-related rhizospheric microbial communities. These novel insights on interactions between recovered fertilizers, plant and associated microbes can contribute to develop sustainable crop production systems. |
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Wos |
000473418000003 |
Publication Date |
2019-07-02 |
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Edition |
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ISSN |
2045-2322 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:160582 |
Serial |
8674 |
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Author |
Cristale, J.; Álvarez-Martín, A.; Rodriguez-Cruz, S.; Sanchez-Martin, M.J.; Lacorte, S. |
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Title |
Sorption and desorption of organophosphate esters with different hydrophobicity by soils |
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A1 Journal article |
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Year |
2017 |
Publication |
Environmental Science and Pollution Research |
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Volume |
24 |
Issue |
36 |
Pages |
27870-27878 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Organophosphate esters (OPEs) are ubiquitous contaminants with potentially hazardous effects on both the environment and human health. Knowledge about the soil sorption-desorption process of organic chemicals is important in order to understand their fate, mobility, and bioavailability, enabling an estimation to be made of possible risks to the environment and biota. The aim of this study was to use the batch equilibrium technique to evaluate the sorption-desorption behavior of seven OPEs (TCEP, TCPP, TBEP, TDCP, TBP, TPhP, and EHDP) in soils with distinctive characteristics (two unamended soils and a soil amended with sewage sludge). The equilibrium concentrations of the OPEs were determined by high performance liquid chromatography coupled to a triple quadrupole mass spectrometer (HPLC-MS/MS). All the compounds were sorbed by the soils, and soil organic carbon (OC) played an important role in this process. The sorption of the most soluble OPEs (TCEP, TCPP, and TBEP) depended on soil OC content, although desorption was 58.1%. The less water-soluble OPEs (TDCP, TBP, TPhP, and EHDP) recorded total sorption (100% for TPhP and EHDP) or very high sorption (34.9%) by all the soils and were not desorbed, which could be explained by their highly hydrophobic nature, as indicated by the logarithmic octanol/water partition coefficient (K-ow) values higher than 3.8, resulting in a high affinity for soil OC. The results of the sorption-desorption of the OPEs by soils with different characteristics highlighted the influence of these compounds' physicochemical properties and the content and nature of soil OC in this process. |
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Wos |
000417874400025 |
Publication Date |
2017-10-07 |
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ISSN |
0944-1344; 1614-7499 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Call Number |
UA @ admin @ c:irua:160642 |
Serial |
8558 |
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Author |
Álvarez-Martín, A.; Sanchez-Martin, M.J.; Ordax, J.M.; Marin-Benito, J.M.; Sonia Rodriguez-Cruz, M. |
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Title |
Leaching of two fungicides in spent mushroom substrate amended soil : I influence of amendment rate, fungicide ageing and flow condition |
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A1 Journal article |
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Year |
2017 |
Publication |
The science of the total environment |
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Volume |
584 |
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Pages |
828-837 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
A study has been conducted on the leaching of two fungicides, tebuconazole and cymoxanil, in a soil amended with spent mushroom substrate (SMS), with an evaluation of how different factors influence this process.The objective was based on the potential use of SMS as a biosorbent for immobilizing pesticides in vulnerable soils, and the need to know how it could affect the subsequent transport of these retained compounds. Breakthrough curves (BTCs) for C-14-fungicides, non-incubated and incubated over 30 days, were obtained in columns packed with an unamended soil (S), and this soil amended with SMS at rates of 5% (S + SMS5) and 50% (S + SMS50) under saturated and saturated-unsaturated flows. The highest leaching of tebuconazole (> 50% of the total C-14 added) was found in S when a saturated water flow was applied to the column, but the percentage of leached fungidde decreased when a saturated-unsaturated flow was applied in both SMS-amended soils. Also a significant decrease in teaching was observed for tebuconazole after incubation in the column, especially in S + SMS50 when both flows were applied. Furthermore, cymoxanil leaching was complete in S and S + SMS when a saturated flow was applied, and maximum peak concentrations were reached at 1 pore volume (PV), although BTCs showed peaks with lower concentrations in S + SMS. The amounts of cymoxanil retained only increased in S + SMS when a saturated-unsaturated flow was applied. A more relevant effect of SMS for reducing the leaching of fungidde was observed when cymoxanil was previously incubated in the column, although mineralization was enhanced in this case. These results are of interest for extending SMS application on the control of the leaching of fungicides with different physicochemical characteristics after different ageing times in the soil and water flow conditions applied. (C) 2017 Elsevier B.V. All rights reserved. |
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Wos |
000399358500080 |
Publication Date |
2017-01-26 |
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ISSN |
0048-9697; 1879-1026 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:160643 |
Serial |
8168 |
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