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Author | Neyts, E.C.; Brault, P. | ||||
Title | Molecular Dynamics Simulations for Plasma-Surface Interactions: Molecular Dynamics Simulations… | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 14 | Pages | 1600145 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Plasma-surface interactions are in general highly complex due to the interplay of many concurrent processes. Molecular dynamics simulations provide insight in some of these processes, subject to the accessible time and length scales, and the availability of suitable force fields. In this introductory tutorial-style review, we aim to describe the current capabilities and limitations of molecular dynamics simulations in this field, restricting ourselves to low-temperature nonthermal plasmas. Attention is paid to the simulation of the various fundamental processes occurring, including sputtering, etching, implantation, and deposition, as well as to what extent the basic plasma components can be accounted for, including ground state and excited species, electric fields, ions, photons, and electrons. A number of examples is provided, giving an bird’s eye overview of the current state of the field. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000393184600009 | Publication Date | 2016-09-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 13 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 2.846 | |||
Call Number | PLASMANT @ plasmant @ c:irua:141758 | Serial | 4488 | ||
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Author | Yusupov, M.; Neyts, E.C.; Verlackt, C.C.; Khalilov, U.; van Duin, A.C.T.; Bogaerts, A. | ||||
Title | Inactivation of the endotoxic biomolecule lipid A by oxygen plasma species : a reactive molecular dynamics study | Type | A1 Journal article | ||
Year | 2015 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 12 | Issue | 12 | Pages | 162-171 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Reactive molecular dynamics simulations are performed to study the interaction of reactive oxygen species, such as OH, HO2 and H2O2, with the endotoxic biomolecule lipid A of the gram-negative bacterium Escherichia coli. It is found that the aforementioned plasma species can destroy the lipid A, which consequently results in reducing its toxic activity. All bond dissociation events are initiated by hydrogen-abstraction reactions. However, the mechanisms behind these dissociations are dependent on the impinging plasma species, i.e. a clear difference is observed in the mechanisms upon impact of HO2 radicals and H2O2 molecules on one hand and OH radicals on the other hand. Our simulation results are in good agreement with experimental observations. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000350275400005 | Publication Date | 2014-09-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 18 | Open Access | |
Notes | Approved | Most recent IF: 2.846; 2015 IF: 2.453 | |||
Call Number | c:irua:123540 | Serial | 1589 | ||
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Author | Tinck, S.; De Schepper, P.; Bogaerts, A. | ||||
Title | Numerical investigation of SiO2 coating deposition in wafer processing reactors with SiCl4/O2/Ar inductively coupled plasmas | Type | A1 Journal article | ||
Year | 2013 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 10 | Issue | 8 | Pages | 714-730 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Simulations and experiments are performed to obtain a better insight in the plasma enhanced chemical vapor deposition process of SiO2 by SiCl4/O2/Ar plasmas for introducing a SiO2-like coating in wafer processing reactors. Reaction sets describing the plasma and surface chemistry of the SiCl4/O2/Ar mixture are presented. Typical calculation results include the bulk plasma characteristics, i.e., electrical properties, species densities, and information on important production and loss processes, as well as the chemical composition of the deposited coating, and the thickness uniformity of the film on all reactor surfaces. The film deposition characteristics, and the trends for varying discharge conditions, are explained based on the plasma behavior, as calculated by the model. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000327790000006 | Publication Date | 2013-05-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 3 | Open Access | |
Notes | Approved | Most recent IF: 2.846; 2013 IF: 2.964 | |||
Call Number | UA @ lucian @ c:irua:109900 | Serial | 2397 | ||
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Author | Neyts, E.C.; Bal, K.M. | ||||
Title | Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 6 | Pages | e1600158 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
The catalytic oxidative dehydrogenation of hydrocarbons is an industrially important process, in which selectivity is a key issue. We here investigate the conversion of methanol to formaldehyde on a vanadia surface employing long timescale simulations, reaching a time scale of seconds. In particular, we compare the thermal process to the case where an additional external electric field is applied, as would be the case in a direct plasma-catalysis setup. We find that the electric field influences the retention time of the molecules at the catalyst surface. These simulations provide an atomic scale insight in the thermal catalytic oxidative dehydrogenation process, and in how an external electric field may affect this process. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000403699900013 | Publication Date | 2016-11-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 2 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 2.846 | |||
Call Number | UA @ lucian @ c:irua:144210 | Serial | 4647 | ||
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Author | Lin, A.; Biscop, E.; Gorbanev, Y.; Smits, E.; Bogaerts, A. | ||||
Title | Toward defining plasma treatment dose : the role of plasma treatment energy of pulsed‐dielectric barrier discharge in dictating in vitro biological responses | Type | A1 Journal article | ||
Year | 2022 | Publication | Plasma Processes And Polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 19 | Issue | 3 | Pages | e2100151 |
Keywords | A1 Journal article; Pharmacology. Therapy; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
The energy dependence of a pulsed-dielectric barrier discharge (DBD) plasma treatment on chemical species production and biological responses was investigated. We hypothesized that the total plasma energy delivered during treatment encompasses the influence of major application parameters. A microsecond-pulsed DBD system was used to treat three different cancer cell lines and cell viability was analyzed. The energy per pulse was measured and the total plasma treatment energy was controlled by adjusting the pulse frequency, treatment time, and application distance. Our data suggest that the delivered plasma energy plays a predominant role in stimulating a biological response in vitro. This study aids in developing steps toward defining a plasma treatment unit and treatment dose for biomedical and clinical research. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000711907800001 | Publication Date | 2021-10-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 3.5 | |||
Call Number | UA @ admin @ c:irua:182916 | Serial | 7219 | ||
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Author | Kolev, S.; Sun, S.; Trenchev, G.; Wang, W.; Wang, H.; Bogaerts, A. | ||||
Title | Quasi-Neutral Modeling of Gliding Arc Plasmas: Quasi-Neutral Modeling of Gliding Arc Plasmas | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 14 | Pages | 1600110 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
The modelling of a gliding arc discharge (GAD) is studied by means of the quasineutral (QN) plasma modelling approach. The model is first evaluated for reliability and proper description of a gliding arc discharge at atmospheric pressure, by comparing with a more elaborate non-quasineutral (NQN) plasma model in two different geometries – a 2D axisymmetric and a Cartesian geometry. The NQN model is considered as a reference, since it provides a continuous self-consistent plasma description, including the near electrode regions. In general, the results of the QN model agree very well with those obtained from the NQN model. The small differences between both models are attributed to the approximations in the derivation of the QN model. The use of the QN model provides a substantial reduction of the computation time compared to the NQN model, which is crucial for the development of more complex models in three dimensions or with complicated chemistries. The latter is illustrated for (i) a reverse vortex flow(RVF) GAD in argon, and (ii) a GAD in CO2. The RVF discharge is modelled in three dimensions and the effect of the turbulent heat transport on the plasma and gas characteristics is discussed. The GAD model in CO2 is in a 1D geometry with axial symmetry and provides results for the time evolution of the electron, gas and vibrational temperature of CO2, as well as for the molar fractions of the different species. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000403074000011 | Publication Date | 2016-10-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 9 | Open Access | Not_Open_Access |
Notes | Methusalem financing of the University of Antwerp; | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142982 | Serial | 4570 | ||
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Author | Duan, J.; Ma, M.; Yusupov, M.; Cordeiro, R.M.; Lu, X.; Bogaerts, A. | ||||
Title | The penetration of reactive oxygen and nitrogen species across the stratum corneum | Type | A1 Journal article | ||
Year | 2020 | Publication | Plasma Processes And Polymers | Abbreviated Journal | Plasma Process Polym |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
The penetration of reactive oxygen and nitrogen species (RONS) across the stratum corneum (SC) is a necessary and crucial process in many skin‐related plasma medical applications. To gain more insights into this penetration behavior, we combined experimental measurements of the permeability of dry and moist SC layers with computer simulations of model lipid membranes. We measured the permeation of relatively stable molecules, which are typically generated by plasma, namely H2O2, NO3−, and NO2−. Furthermore, we calculated the permeation free energy profiles of the major plasma‐generated RONS and their derivatives (i.e., H2O2, OH, HO2, O2, O3, NO, NO2, N2O4, HNO2, HNO3, NO2−, and NO3−) across native and oxidized SC lipid bilayers, to understand the mechanisms of RONS permeation across the SC. Our results indicate that hydrophobic RONS (i.e., NO, NO2, O2, O3, and N2O4) can translocate more easily across the SC lipid bilayer than hydrophilic RONS (i.e., H2O2, OH, HO2, HNO2, and HNO3) and ions (i.e., NO2− and NO3−) that experience much higher permeation barriers. The permeability of RONS through the SC skin lipids is enhanced when the skin is moist and the lipids are oxidized. These findings may help to understand the underlying mechanisms of plasma interaction with a biomaterial and to optimize the environmental parameters in practice in plasma medical applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000536892900001 | Publication Date | 2020-06-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.5 | Times cited | Open Access | ||
Notes | National Natural Science Foundation of China, 51625701 51977096 ; Fonds Wetenschappelijk Onderzoek, 1200219N ; China Scholarship Council, 201806160128 ; M. Y. acknowledges the Research Foundation Flanders (FWO) for financial support (Grant No. 1200219N). This study was partially supported by the National Natural Science Foundation of China (Grant No: 51625701 and 51977096) and the China Scholarship Council (Grant No: 201806160128). All computational work was performed using 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. | Approved | Most recent IF: 3.5; 2020 IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @c:irua:169709 | Serial | 6372 | ||
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Author | Zhang, Q.‐Z.; Zhang, L.; Yang, D.‐Z.; Schulze, J.; Wang, Y.‐N.; Bogaerts, A. | ||||
Title | Positive and negative streamer propagation in volume dielectric barrier discharges with planar and porous electrodes | Type | A1 Journal article | ||
Year | 2021 | Publication | Plasma Processes And Polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 18 | Issue | 4 | Pages | 2000234 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
The spatiotemporal dynamics of volume and surface positive and negative streamers in a pintoplate volume dielectric barrier discharge is investigated in this study. The discharge characteristics are found to be completely different for positive and negative streamers. First, the spatial propagation of a positive streamer is found to rely on electron avalanches caused by photo-electrons in front of the streamer head, whereas this is not the case for negative streamers. Second, our simulations reveal an interesting phenomenon of floating positive surface discharges, which develop when a positive streamer reaches a dielectric wall and which explain the experimentally observed branching characteristics. Third, we report for the first time, the interactions between a positive streamer and dielectric pores, in which both the pore diameter and depth affect the evolution of a positive streamer. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000617876700001 | Publication Date | 2021-02-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | Open Access | OpenAccess | |
Notes | Dalian University of Technology, DUT19RC(3)045 ; National Natural Science Foundation of China, 12020101005 ; Deutsche Forschungsgemeinschaft, SFB 1316 project A5 ; Universiteit Antwerpen, TOP‐BOF ; The authors acknowledge financial support from the TOP-BOF project of the University of Antwerp. This study was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and the University of Antwerp. Funding by the German Research Foundation (DFG) in the frame of the Collaborative Research Center SFB 1316, project A5, National Natural Science Foundation of China (No. 12020101005), and the Scientific Research Foundation from Dalian University of Technology (DUT19RC(3)045) is also acknowledged. | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @c:irua:176565 | Serial | 6744 | ||
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Author | Ramakers, M.; Michielsen, I.; Aerts, R.; Meynen, V.; Bogaerts, A. | ||||
Title | Effect of argon or helium on the CO2 conversion in a dielectric barrier discharge | Type | A1 Journal article | ||
Year | 2015 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 12 | Issue | 12 | Pages | 755-763 |
Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
This paper demonstrates that the CO2 conversion in a dielectric barrier discharge rises drastically upon addition of Ar or He, and the effect is more pronounced for Ar than for He. The effective CO2 conversion, on the other hand, drops upon addition of Ar or He, which is logical due to the lower CO2 content in the gas mixture, and the same is true for the energy efficiency, because a considerable fraction of the energy is then consumed into ionization/excitation of Ar or He atoms. The higher absolute CO2 conversion upon addition of Ar or He can be explained by studying in detail the Lissajous plots and the current profiles. The breakdown voltage is lower in the CO2/Ar and CO2/He mixtures, and the discharge gap is more filled with plasma, which enhances the possibility for CO2 conversion. The rates of electron impact excitationdissociation of CO2, estimated from the electron densities and mean electron energies, are indeed higher in the CO2/Ar and (to a lower extent) in the CO2/He mixtures, compared to the pure CO2 plasma. Moreover, charge transfer between Ar+ or Ar2+ ions and CO2, followed by electron-ion dissociative recombination of the CO2+ ions, might also contribute to, or even be dominant for the CO2 dissociation. All these effects can explain the higher CO2 conversion, especially upon addition of Ar, but also upon addition of He. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000359672400007 | Publication Date | 2015-02-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 63 | Open Access | |
Notes | Approved | Most recent IF: 2.846; 2015 IF: 2.453 | |||
Call Number | c:irua:126822 | Serial | 799 | ||
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Author | Bogaerts, A.; De Bie, C.; Snoeckx, R.; Koz?k, T. | ||||
Title | Plasma based CO2and CH4conversion: A modeling perspective | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 14 | Pages | 1600070 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
This paper gives an overview of our plasma chemistry modeling for CO2 and CH4 conversion in a dielectric barrier discharge (DBD) and microwave (MW) plasma. We focus on pure CO2 splitting and pure CH4 reforming, as well as mixtures of CO2/CH4, CH4/O2, and CO2/H2O. We show calculation results for the conversion, energy efficiency, and product formation, in comparison with experiments where possible. We also present the underlying chemical reaction pathways, to explain the observed trends. For pure CO2, a comparison is made between a DBD and MW plasma, illustrating that the higher energy efficiency of the latter is attributed to the more important role of the vibrational levels. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000403699900001 | Publication Date | 2016-09-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 17 | Open Access | Not_Open_Access |
Notes | Inter-university Attraction Pole (IAP/7); Federaal Wetenschapsbeleid; Francqui Research Foundation; Fonds De La Recherche Scientifique – FNRS, G.0383.16N ; Hercules Foundation; Flemish Government; UAntwerpen; | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @ c:irua:144209 | Serial | 4579 | ||
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Author | Somers, W.; Dubreuil, M.F.; Neyts, E.C.; Vangeneugden, D.; Bogaerts, A. | ||||
Title | Incorporation of fluorescent dyes in atmospheric pressure plasma coatings for in-line monitoring of coating homogeneity | Type | A1 Journal article | ||
Year | 2014 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 11 | Issue | 7 | Pages | 678-684 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
This paper reports on the incorporation of three commercial fluorescent dyes, i.e., rhodamine 6G, fluorescein, and fluorescent brightener 184, in plasma coatings, by utilizing a dielectric barrier discharge (DBD) reactor, and the subsequent monitoring of the coatings homogeneity based on the emitted fluorescent light. The plasma coatings are qualitatively characterized with fluorescence microscopy, UVvis spectroscopy and profilometry for the determination of the coating thickness. The emitted fluorescent light of the coating correlates to the amount of dye per area, and deviations of these factors can hence be observed by monitoring the intensity of this light. This allows monitoring the homogeneity of the plasma coatings in a fast and simple way, without making major adjustments to the process. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000340416300007 | Publication Date | 2014-05-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 3 | Open Access | |
Notes | Approved | Most recent IF: 2.846; 2014 IF: 2.453 | |||
Call Number | UA @ lucian @ c:irua:118063 | Serial | 1598 | ||
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Author | Yusupov, M.; Lackmann, J.-W.; Razzokov, J.; Kumar, S.; Stapelmann, K.; Bogaerts, A. | ||||
Title | Impact of plasma oxidation on structural features of human epidermal growth factor | Type | A1 Journal article | ||
Year | 2018 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 15 | Issue | 8 | Pages | 1800022 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
We perform computer simulations supported by experiments to investigate the oxidation of an important signaling protein, that is, human epidermal growth factor (hEGF), caused by cold atmospheric plasma (CAP) treatment. Specifically, we study the conformational changes of hEGF with different degrees of oxidation, to mimic short and long CAP treatment times. Our results indicate that the oxidized structures become more flexible, due to their conformational changes and breakage of the disulfide bonds, especially at higher oxidation degrees. MM/GBSA calculations reveal that an increasing oxidation level leads to a lower binding free energy of hEGF with its receptor. These results help to understand the fundamentals of the use of CAP for wound healing versus cancer treatment at short and longer treatment times. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000441895700004 | Publication Date | 2018-05-07 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 7 | Open Access | Not_Open_Access |
Notes | Fonds Wetenschappelijk Onderzoek, 1200216N ; Bundesministerium für Bildung und Forschung, 03Z22DN12 ; | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @c:irua:152815 | Serial | 5008 | ||
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Author | Razzokov, J.; Yusupov, M.; Vanuytsel, S.; Neyts, E.C.; Bogaerts, A. | ||||
Title | Phosphatidylserine flip-flop induced by oxidation of the plasma membrane: a better insight by atomic scale modeling | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 10 | Pages | 1700013 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
We perform molecular dynamics simulations to study the flip-flop motion of phosphatidylserine (PS) across the plasma membrane upon increasing oxidation degree of the membrane. Our computational results show that an increase of the oxidation degree in the lipids leads to a decrease of the free energy barrier for translocation of PS through the membrane. In other words, oxidation of the lipids facilitates PS flip-flop motion across the membrane, because in native phospholipid bilayers this is only a “rare event” due to the high energy barriers for the translocation of PS. The present study provides an atomic-scale insight into the mechanisms of the PS flip-flop upon oxidation of lipids, as produced for example by cold atmospheric plasma, in living cells. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000413045800010 | Publication Date | 2017-04-05 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited | 9 | Open Access | Not_Open_Access |
Notes | Fonds Wetenschappelijk Onderzoek, 1200216N ; | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @c:irua:149567 | Serial | 4910 | ||
Permanent link to this record |