|
“Modeling of the formation and transport of nanoparticles in silane plasmas”. de Bleecker K, Bogaerts A, Goedheer W, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 70, 056407 (2004). http://doi.org/10.1103/PhysRevE.70.056407
Abstract: The behavior of nanoparticles in a low-pressure silane discharge is studied with the use of a self-consistent one-dimensional fluid model. Nanoparticles of a given (prescribed) radius are formed in the discharge by the incorporation of a dust growth mechanism, i.e., by including a step in which large anions (typically Si12H−25), produced in successive chemical reactions of anions with silane molecules, are transformed into particles. Typically a few thousand anions are used for one nanoparticle. The resulting particle density and the charge on the particles are calculated with an iterative method. While the spatial distribution and the charge of the particles are influenced by the plasma, the presence of the nanoparticles will in turn influence the plasma properties. Several simulations with different particle radii are performed. The resulting density profile of the dust will greatly depend on the particle size, as it reacts to the shift of the balance of the different forces acting on the particles.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 31
DOI: 10.1103/PhysRevE.70.056407
|
|
|
“Modelling of nanoparticle coagulation and transport dynamics in dusty silane discharges”. de Bleecker K, Bogaerts A, Goedheer W, New journal of physics 8, 178 (2006). http://doi.org/10.1088/1367-2630/8/9/178
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 20
DOI: 10.1088/1367-2630/8/9/178
|
|
|
“Role of the thermophoretic force on the transport of nanoparticles in dusty silane plasmas”. de Bleecker K, Bogaerts A, Goedheer W, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 71, 066405 (2005). http://doi.org/10.1103/PhysRevE.71.066405
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 25
DOI: 10.1103/PhysRevE.71.066405
|
|
|
“Investigation of growth mechanisms of clusters in a silane discharge with the use of a fluid model”. de Bleecker K, Bogaerts A, Goedheer W, Gijbels R, IEEE transactions on plasma science 32, 691 (2004). http://doi.org/10.1109/TPS.2004.826095
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.052
Times cited: 29
DOI: 10.1109/TPS.2004.826095
|
|
|
“Nanoparticle growth and transport mechanisms in capacitively coupled silane discharges: a numerical investigation”. de Bleecker K, Bogaerts A, Goedheer WJ, , 201 (2005)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“Modelling of formation and transport of nanoparticles in silane discharges”. de Bleecker K, Bogaerts A, Goedheer WJ, Gijbels R, , 0 (2004)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“One-dimensional modelling of a capacitively coupled rf plasma in silane/helium, including small concentrations of O2 and N2”. de Bleecker K, Herrebout D, Bogaerts A, Gijbels R, Descamps P, Journal of physics: D: applied physics 36, 1826 (2003)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
|
|
|
“Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects”. de de Meux AJ, Bhoolokam A, Pourtois G, Genoe J, Heremans P, Physica status solidi : A : applications and materials science 214, 1600889 (2017). http://doi.org/10.1002/PSSA.201600889
Abstract: The amorphous oxide semiconductor Indium-Gallium-Zinc-Oxide (a-IGZO) has gained a large technological relevance as a semiconductor for thin-film transistors in active-matrix displays. Yet, major questions remain unanswered regarding the atomic origin of threshold voltage control, doping level, hysteresis, negative bias stress (NBS), and negative bias illumination stress (NBIS). We undertake a systematic study of the effects of oxygen vacancies on the properties of a-IGZO by relating experimental observations to microscopic insights gained from first-principle simulations. It is found that the amorphous nature of the semiconductor allows unusually large atomic relaxations. In some cases, oxygen vacancies are found to behave as perfect shallow donors without the formation of structural defects. Once structural defects are formed, their transition states can vary upon charge and discharge cycles. We associate this phenomenon to a possible presence of hysteresis in the transfer curve of the devices. Under NBS, the creation of oxygen vacancies becomes energetically very stable, hence thermodynamically very likely. This generation process is correlated with the occurrence of the negative bias stress instabilities observed in a-IGZO transistors. While oxygen vacancies can therefore be related to NBS and hysteresis, it appears unlikely from our results that they are direct causes of NBIS, contrary to common belief.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.775
Times cited: 8
DOI: 10.1002/PSSA.201600889
|
|
|
“Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor : structure, tail states and strain effects”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Journal of physics: D: applied physics 48, 435104 (2015). http://doi.org/10.1088/0022-3727/48/43/435104
Abstract: We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen-metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced variation in the effective mass is found to be negligible (less than 1%).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 23
DOI: 10.1088/0022-3727/48/43/435104
|
|
|
“Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Journal of physics : condensed matter 29, 255702 (2017). http://doi.org/10.1088/1361-648X/AA608C
Abstract: In this paper, we show that the apparent delocalization of the conduction band reported from first-principles simulations for the high-mobility amorphous oxide semiconductor InGaZnO4 (a-IGZO) is an artifact induced by the periodic conditions imposed to the model. Given a sufficiently large unit-cell dimension (over 40 angstrom), the conduction band becomes localized. Such a model size is up to four times the size of commonly used models for the study of a-IGZO. This finding challenges the analyses done so far on the nature of the defects and on the interpretation of numerous electrical measurements. In particular, we re-interpret the meaning of the computed effective mass reported so far in literature. Our finding also applies to materials such as SiZnSnO, ZnSnO, InZnSnO, In2O3 or InAlZnO4 whose models have been reported to display a fully delocalized conduction band in the amorphous phase.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.649
Times cited: 5
DOI: 10.1088/1361-648X/AA608C
|
|
|
“Method to quantify the delocalization of electronic states in amorphous semiconductors and its application to assessing charge carrier mobility of p-type amorphous oxide semiconductors”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Physical review B 97, 045208 (2018). http://doi.org/10.1103/PHYSREVB.97.045208
Abstract: Amorphous semiconductors are usually characterized by a low charge carrier mobility, essentially related to their lack of long-range order. The development of such material with higher charge carrier mobility is hence challenging. Part of the issue comes from the difficulty encountered by first-principles simulations to evaluate concepts such as the electron effective mass for disordered systems since the absence of periodicity induced by the disorder precludes the use of common concepts derived from condensed matter physics. In this paper, we propose a methodology based on first-principles simulations that partially solves this problem, by quantifying the degree of delocalization of a wave function and of the connectivity between the atomic sites within this electronic state. We validate the robustness of the proposed formalism on crystalline and molecular systems and extend the insights gained to disordered/amorphous InGaZnO4 and Si. We also explore the properties of p-type oxide semiconductor candidates recently reported to have a low effective mass in their crystalline phases [G. Hautier et al., Nat. Commun. 4, 2292 (2013)]. Although in their amorphous phase none of the candidates present a valence band with delocalization properties matching those found in the conduction band of amorphous InGaZnO4, three of the seven analyzed materials show some potential. The most promising candidate, K2Sn2O3, is expected to possess in its amorphous phase a slightly higher hole mobility than the electron mobility in amorphous silicon.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PHYSREVB.97.045208
|
|
|
“Defects in amorphous semiconductors : the case of amorphous indium gallium zinc oxide”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Physical review applied 9, 054039 (2018). http://doi.org/10.1103/PHYSREVAPPLIED.9.054039
Abstract: Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a-IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal-metal or oxygen-oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a-IGZO, the most important point defects are metal-metal bonds (or small metal clusters) and peroxides (O-O single bonds). Electrons are captured by metal-metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a-IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive-and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.808
Times cited: 7
DOI: 10.1103/PHYSREVAPPLIED.9.054039
|
|
|
“Effects of hole self-trapping by polarons on transport and negative bias illumination stress in amorphous-IGZO”. de de Meux AJ, Pourtois G, Genoe J, Heremans P, Journal of applied physics 123, 161513 (2018). http://doi.org/10.1063/1.4986180
Abstract: The effects of hole injection in amorphous indium-gallium-zinc-oxide (a-IGZO) are analyzed by means of first-principles calculations. The injection of holes in the valence band tail states leads to their capture as a polaron, with high self-trapping energies (from 0.44 to 1.15 eV). Once formed, they mediate the formation of peroxides and remain localized close to the hole injection source due to the presence of a large diffusion energy barrier (of at least 0.6 eV). Their diffusion mechanism can be mediated by the presence of hydrogen. The capture of these holes is correlated with the low off-current observed for a-IGZO transistors, as well as with the difficulty to obtain a p-type conductivity. The results further support the formation of peroxides as being the root cause of Negative Bias Illumination Stress (NBIS). The strong self-trapping substantially reduces the injection of holes from the contact and limits the creation of peroxides from a direct hole injection. In the presence of light, the concentration of holes substantially rises and mediates the creation of peroxides, responsible for NBIS. Published by AIP Publishing.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 4
DOI: 10.1063/1.4986180
|
|
|
De Luca F, Abate S, Bogaerts A, Centi G (2024) Electrified CO2 conversion : integrating experimental, computational, and process simulation methods for sustainable chemical synthesis. xv, 152 p
Abstract: Nowadays, the burning of fossil fuels, particularly petroleum, natural gas, and coal, meets the rising need for power and fuels for automobiles and industries. This has given rise to ecological and climate challenges. This thesis explores these issues from three distinct perspectives: (i) experimental, (ii) computational, and (iii) process simulation, with a focus on studying CO2 as an alternative and economically viable raw material. Firstly, the experimental study is focused on the synthesis, characterization, and testing of novel catalysts for electroreduction of CO2 and oxalic acid, an intermediate product of CO2. Electrocatalysts based on Cu supported by citrus (orange and lemon) peel biomass are prepared. These catalysts exhibit activity in the electrochemical reduction of CO2, emphasizing the effectiveness of biomasses, particularly orange peels, as environmentally friendly precursors for sustainable and efficient electrocatalysts. In addition, graphitic carbon nitrides/TiO2 nanotubes (g-C3N4/TiNT) composites are prepared for the electrocatalytic reduction of oxalic acid to glycolic acid, revealing superior electrocatalytic properties compared to pristine TiNT. Characterization by X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electronic microscopy were performed for all the prepared electrocatalysts. Delving into the reduction of CO2 on Cu catalysts, a computational study about the synthesis of methanol on Cu(111) surface is performed by using the Vienna Ab initio Simulation Package. A systematic study is carried out to define the activation energies of the elementary reactions by using mGGA DF. Consequently, it is shown that the rate-controlling step is CH3O* hydrogenation and the formate pathway on Cu(111) proceeds through the HCOOH* intermediate. Finally, the process simulation, performed by using the software Aspen Plus 11 from AspenTech Inc., is based on the comparison of a catalytic (oxidation of ethylene glycol) and an electrocatalytic process (CO2 electroreduction chain) to synthesize glycolic acid. An economic analysis of the operational and investment costs reveals that the catalytic process is more cost-effective due to the current instability of electrocatalysts and proton exchange membranes, resulting in increased maintenance costs and, consequently, higher prices for the product.
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“Importance of plasma discharge characteristics in plasma catalysis: Dry reforming of methane vs. ammonia synthesis”. De Meyer R, Gorbanev Y, Ciocarlan R-G, Cool P, Bals S, Bogaerts A, Chemical Engineering Journal 488, 150838 (2024). http://doi.org/10.1016/j.cej.2024.150838
Abstract: Plasma catalysis is a rapidly growing field, often employing a packed-bed dielectric barrier discharge plasma reactor. Such dielectric barrier discharges are complex, especially when a packing material (e.g., a catalyst) is introduced in the discharge volume. Catalysts are known to affect the plasma discharge, though the underlying mechanisms influencing the plasma physics are not fully understood. Moreover, the effect of the catalysts on the plasma discharge and its subsequent effect on the overall performance is often overlooked. In this work, we deliberately design and synthesize catalysts to affect the plasma discharge in different ways. These Ni or Co alumina-based catalysts are used in plasma-catalytic dry reforming of methane and ammonia synthesis. Our work shows that introducing a metal to the dielectric packing can affect the plasma discharge, and that the distribution of the metal is crucial in this regard. Further, the altered discharge can greatly influence the overall performance. In an atmospheric pressure dielectric barrier discharge reactor, this apparently more uniform plasma yields a significantly better performance for ammonia synthesis compared to the more conventional filamentary discharge, while it underperforms in dry reforming of methane. This study stresses the importance of analyzing the plasma discharge in plasma catalysis experiments. We hope this work encourages a more critical view on the plasma discharge characteristics when studying various catalysts in a plasma reactor.
Keywords: A1 Journal Article; Gas conversion Dry reforming of methane Ammonia Microdischarges Dielectric barrier discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 15.1
DOI: 10.1016/j.cej.2024.150838
|
|
|
“Empirical evaluation of metal deposition for the analysis of organic compounds with static secondary ion mass spectrometry (S-SIMS)”. de Mondt R, Adriaensen L, Vangaever F, Lenaerts J, van Vaeck L, Gijbels R, Applied surface science 252, 6652 (2006). http://doi.org/10.1016/j.apsusc.2006.02.110
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 9
DOI: 10.1016/j.apsusc.2006.02.110
|
|
|
“Characterization of AgxAuy nano particles by TEM and STEM”. de Vyt A, Gijbels R, Davock H, van Roost C, Geuens I, Journal of analytical atomic spectrometry 14, 499 (1999). http://doi.org/10.1039/a807695b
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 2
DOI: 10.1039/a807695b
|
|
|
“Quantitative analysis of individual AgxAuy nanoparticles by TEM-EDX: track 1”. de Vyt A, Gijbels R, van Roost C, Geuens I, , 524 (1998)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“XPS study of ion induced oxidation of silicon with and without oxygen flooding”. de Witte H, Conard T, Sporken R, Gouttebaron R, Magnee R, Vandervorst W, Caudano R, Gijbels R, , 73 (2000)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“Ion-bombardment artifact in TOF-SIMS analysis of ZrO2/SiO2/Si stacks”. de Witte H, Conard T, Vandervorst W, Gijbels R, Applied surface science 203, 523 (2003). http://doi.org/10.1016/S0169-4332(02)00728-6
Abstract: We analyzed ultra-thin ZrO2/SiO2/Si gate dielectrics under post-deposition anneals in dry O-2 at temperatures from 500 to 700 degreesC. TOF-SIMS profiling of ZrO2/SiO2/Si stacks is hampered by many sputter induced artifacts. The depletion of oxygen leads to a decrease in SIMS intensities. However, preferential sputtering is accompanied by transport of the depleted species towards the surface. Due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. Either normal or radiation-enhanced diffusion transports oxygen back to the surface. Simultaneously also segregation of zirconium towards and through the interface is observed, resulting in a large zirconium tail in the underlying silicon substrate. (C) 2002 Elsevier Science B.V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 15
DOI: 10.1016/S0169-4332(02)00728-6
|
|
|
“SIMS analysis of oxynitrides: evidence for nitrogen diffusion induced by oxygen flooding”. de Witte H, Conard T, Vandervorst W, Gijbels R, Surface and interface analysis 29, 761 (2000). http://doi.org/10.1002/1096-9918(200011)29:11<761::AID-SIA926>3.0.CO;2-F
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.132
Times cited: 4
DOI: 10.1002/1096-9918(200011)29:11<761::AID-SIA926>3.0.CO;2-F
|
|
|
“Study of oxynitrides with dual beam TOF-SIMS”. de Witte H, Conard T, Vandervorst W, Gijbels R, , 611 (2000)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“Capabilities of TOF-SIMS to study the influence of different oxidation conditions on metal contamination redistribution”. de Witte H, de Gendt S, Douglas M, Conard T, Kenis K, Mertens PW, Vandervorst W, Gijbels R s.n., Leuven, page 147 (1999).
Keywords: H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“Evaluation of time-of-flight secondary ion mass spectrometry for metal contamination monitoring on wafer surfaces”. de Witte H, de Gendt S, Douglas M, Conard T, Kenis K, Mertens PW, Vandervorst W, Gijbels R, Journal of the electrochemical society 147, 13 (2000). http://doi.org/10.1149/1.1393457
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.259
Times cited: 14
DOI: 10.1149/1.1393457
|
|
|
“Modeling of bombardment induced oxidation of silicon”. de Witte H, Vandervorst W, Gijbels R, Journal of applied physics 89, 3001 (2001). http://doi.org/10.1063/1.1344581
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 16
DOI: 10.1063/1.1344581
|
|
|
“Modeling of bombardment induced oxidation of silicon with and without oxygen flooding”. de Witte H, Vandervorst W, Gijbels R, , 327 (1998)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
|
|
|
“OrBITS : label-free and time-lapse monitoring of patient derived organoids for advanced drug screening”. Deben C, Cardenas De La Hoz E, Le Compte M, Van Schil P, Hendriks JMH, Lauwers P, Yogeswaran SK, Lardon F, Pauwels P, van Laere S, Bogaerts A, Smits E, Vanlanduit S, Lin A, Cellular Oncology (2211-3428) , 1 (2022). http://doi.org/10.1007/S13402-022-00750-0
Abstract: Background Patient-derived organoids are invaluable for fundamental and translational cancer research and holds great promise for personalized medicine. However, the shortage of available analysis methods, which are often single-time point, severely impede the potential and routine use of organoids for basic research, clinical practise, and pharmaceutical and industrial applications. Methods Here, we developed a high-throughput compatible and automated live-cell image analysis software that allows for kinetic monitoring of organoids, named Organoid Brightfield Identification-based Therapy Screening (OrBITS), by combining computer vision with a convolutional network machine learning approach. The OrBITS deep learning analysis approach was validated against current standard assays for kinetic imaging and automated analysis of organoids. A drug screen of standard-of-care lung and pancreatic cancer treatments was also performed with the OrBITS platform and compared to the gold standard, CellTiter-Glo 3D assay. Finally, the optimal parameters and drug response metrics were identified to improve patient stratification. Results OrBITS allowed for the detection and tracking of organoids in routine extracellular matrix domes, advanced Gri3D (R)-96 well plates, and high-throughput 384-well microplates, solely based on brightfield imaging. The obtained organoid Count, Mean Area, and Total Area had a strong correlation with the nuclear staining, Hoechst, following pairwise comparison over a broad range of sizes. By incorporating a fluorescent cell death marker, infra-well normalization for organoid death could be achieved, which was tested with a 10-point titration of cisplatin and validated against the current gold standard ATP-assay, CellTiter-Glo 3D. Using this approach with OrBITS, screening of chemotherapeutics and targeted therapies revealed further insight into the mechanistic action of the drugs, a feature not achievable with the CellTiter-Glo 3D assay. Finally, we advise the use of the growth rate-based normalised drug response metric to improve accuracy and consistency of organoid drug response quantification. Conclusion Our findings validate that OrBITS, as a scalable, automated live-cell image analysis software, would facilitate the use of patient-derived organoids for drug development and therapy screening. The developed wet-lab workflow and software also has broad application potential, from providing a launching point for further brightfield-based assay development to be used for fundamental research, to guiding clinical decisions for personalized medicine.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE)
Impact Factor: 6.6
DOI: 10.1007/S13402-022-00750-0
|
|
|
“Auranofin repurposing for lung and pancreatic cancer : low CA12 expression as a marker of sensitivity in patient-derived organoids, with potentiated efficacy by AKT inhibition”. Deben C, Freire Boullosa L, Rodrigues Fortes F, Cardenas De La Hoz E, Le Compte M, Seghers S, Peeters M, Vanlanduit S, Lin A, Dijkstra KK, Van Schil P, Hendriks JMH, Prenen H, Roeyen G, Lardon F, Smits E, Journal of Experimental and Clinical Cancer Research 43, 88 (2024). http://doi.org/10.1186/S13046-024-03012-Z
Abstract: Background This study explores the repurposing of Auranofin (AF), an anti-rheumatic drug, for treating non-small cell lung cancer (NSCLC) adenocarcinoma and pancreatic ductal adenocarcinoma (PDAC). Drug repurposing in oncology offers a cost-effective and time-efficient approach to developing new cancer therapies. Our research focuses on evaluating AF's selective cytotoxicity against cancer cells, identifying RNAseq-based biomarkers to predict AF response, and finding the most effective co-therapeutic agents for combination with AF. Methods Our investigation employed a comprehensive drug screening of AF in combination with eleven anticancer agents in cancerous PDAC and NSCLC patient-derived organoids (n = 7), and non-cancerous pulmonary organoids (n = 2). Additionally, we conducted RNA sequencing to identify potential biomarkers for AF sensitivity and experimented with various drug combinations to optimize AF's therapeutic efficacy. Results The results revealed that AF demonstrates a preferential cytotoxic effect on NSCLC and PDAC cancer cells at clinically relevant concentrations below 1 µM, sparing normal epithelial cells. We identified Carbonic Anhydrase 12 (CA12) as a significant RNAseq-based biomarker, closely associated with the NF-κB survival signaling pathway, which is crucial in cancer cell response to oxidative stress. Our findings suggest that cancer cells with low CA12 expression are more susceptible to AF treatment. Furthermore, the combination of AF with the AKT inhibitor MK2206 was found to be particularly effective, exhibiting potent and selective cytotoxic synergy, especially in tumor organoid models classified as intermediate responders to AF, without adverse effects on healthy organoids. Conclusion Our research offers valuable insights into the use of AF for treating NSCLC and PDAC. It highlights AF's cancer cell selectivity, establishes CA12 as a predictive biomarker for AF sensitivity, and underscores the enhanced efficacy of AF when combined with MK2206 and other therapeutics. These findings pave the way for further exploration of AF in cancer treatment, particularly in identifying patient populations most likely to benefit from its use and in optimizing combination therapies for improved patient outcomes.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Center for Oncological Research (CORE)
DOI: 10.1186/S13046-024-03012-Z
|
|
|
“Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium”. Delabie A, Sioncke S, Rip J, van Elshocht S, Caymax M, Pourtois G, Pierloot K, The journal of physical chemistry: C : nanomaterials and interfaces 115, 17523 (2011). http://doi.org/10.1021/jp206070y
Abstract: Germanium combined with high-κ dielectrics is investigated for the next generations of CMOS devices. Therefore, we study reaction mechanisms for Al2O3 atomic layer deposition on sulfur passivated Ge using calculations based on density functional theory and total reflection X-ray fluorescence (TXRF). TXRF indicates 6 S/nm2 and 4 Al/nm2 after the first TMA/H2O reaction cycle, and growth inhibition from the second reaction cycle on. Calculations are performed on molecular clusters representing −GeSH surface sites. The calculations confirm that the TMA reaction does not affect the S content. On fully SH-terminated Ge, TMA favorably reacts with up to three −GeSH sites, resulting in a near tetrahedral Al coordination. Electron deficient structures with a GeS site shared between two Al atoms are proposed. The impact of the cluster size on the structures and reaction energetics is systematically investigated.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 9
DOI: 10.1021/jp206070y
|
|
|
“Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates”. Delabie A, Sioncke S, Rip J, Van Elshocht S, Pourtois G, Mueller M, Beckhoff B, Pierloot K, Journal of vacuum science and technology: A: vacuum surfaces and films 30, 01a127 (2012). http://doi.org/10.1116/1.3664090
Abstract: In this work, we have studied the TMA/H(2)O (TMA Al(CH(3))(3)) atomic layer deposition (ALD) of Al(2)O(3) on hydroxyl (OH) and thiol (SH) terminated semiconductor substrates. Total reflection x-ray fluorescence reveals a complex growth-per-cycle evolution during the early ALD reaction cycles. OH and SH terminated surfaces demonstrate growth inhibition from the second reaction cycle on. Theoretical calculations, based on density functional theory, are performed on cluster models to investigate the first TMA/H(2)O reaction cycle. Based on the theoretical results, we discuss possible mechanisms for the growth inhibition from the second reaction cycle on. In addition, our calculations show that AlCH(3) groups are hydrolyzed by a H(2)O molecule adsorbed on a neighboring Al atom, independent of the type of backbonds (Si-O, Ge-O, or Ge-S) of AlCH(3). The coordination of Al remains four-fold after the first TMA/H(2)O reaction cycle. (C) 2012 American Vacuum Society. [DOI: 10.1116/1.3664090]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.374
Times cited: 41
DOI: 10.1116/1.3664090
|
|