| 1. |
- Bouwmeester, Sjoerd, et al.
(author)
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Registered Replication Report : Rand, Greene, and Nowak (2012)
- 2017
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In: Perspectives on Psychological Science. - : SAGE Publications. - 1745-6916 .- 1745-6924. ; 12:3, s. 527-542
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Journal article (peer-reviewed)abstract
- In an anonymous 4-person economic game, participants contributed more money to a common project (i.e., cooperated) when required to decide quickly than when forced to delay their decision (Rand, Greene & Nowak, 2012), a pattern consistent with the social heuristics hypothesis proposed by Rand and colleagues. The results of studies using time pressure have been mixed, with some replication attempts observing similar patterns (e.g., Rand et al., 2014) and others observing null effects (e.g., Tinghög et al., 2013; Verkoeijen & Bouwmeester, 2014). This Registered Replication Report (RRR) assessed the size and variability of the effect of time pressure on cooperative decisions by combining 21 separate, preregistered replications of the critical conditions from Study 7 of the original article (Rand et al., 2012). The primary planned analysis used data from all participants who were randomly assigned to conditions and who met the protocol inclusion criteria (an intent-to-treat approach that included the 65.9% of participants in the time-pressure condition and 7.5% in the forced-delay condition who did not adhere to the time constraints), and we observed a difference in contributions of −0.37 percentage points compared with an 8.6 percentage point difference calculated from the original data. Analyzing the data as the original article did, including data only for participants who complied with the time constraints, the RRR observed a 10.37 percentage point difference in contributions compared with a 15.31 percentage point difference in the original study. In combination, the results of the intent-to-treat analysis and the compliant-only analysis are consistent with the presence of selection biases and the absence of a causal effect of time pressure on cooperation.
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| 2. |
- Giubilato, E, et al.
(author)
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Risk Management Framework for Nano-Biomaterials Used in Medical Devices and Advanced Therapy Medicinal Products
- 2020
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In: Materials (Basel, Switzerland). - : MDPI AG. - 1996-1944. ; 13:20
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Journal article (peer-reviewed)abstract
- The convergence of nanotechnology and biotechnology has led to substantial advancements in nano-biomaterials (NBMs) used in medical devices (MD) and advanced therapy medicinal products (ATMP). However, there are concerns that applications of NBMs for medical diagnostics, therapeutics and regenerative medicine could also pose health and/or environmental risks since the current understanding of their safety is incomplete. A scientific strategy is therefore needed to assess all risks emerging along the life cycles of these products. To address this need, an overarching risk management framework (RMF) for NBMs used in MD and ATMP is presented in this paper, as a result of a collaborative effort of a team of experts within the EU Project BIORIMA and with relevant inputs from external stakeholders. The framework, in line with current regulatory requirements, is designed according to state-of-the-art approaches to risk assessment and management of both nanomaterials and biomaterials. The collection/generation of data for NBMs safety assessment is based on innovative integrated approaches to testing and assessment (IATA). The framework can support stakeholders (e.g., manufacturers, regulators, consultants) in systematically assessing not only patient safety but also occupational (including healthcare workers) and environmental risks along the life cycle of MD and ATMP. The outputs of the framework enable the user to identify suitable safe(r)-by-design alternatives and/or risk management measures and to compare the risks of NBMs to their (clinical) benefits, based on efficacy, quality and cost criteria, in order to inform robust risk management decision-making.
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| 3. |
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| 4. |
- Spijksma, G. I., et al.
(author)
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Chemistry of 2,2,6,6,-tetramethyl-3,5-heptanedione (Hthd) modification of zirconium and hafnium propoxide precursors
- 2006
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In: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 45:13, s. 4938-4950
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Journal article (peer-reviewed)abstract
- The modification of different zirconium propoxide and hafnium propoxide precursors with 2,2,6,6,-tetramethyl-3,5-heptanedione (Hthd) was investigated by characterization of the isolated modified species. The complexes [Zr(O nPr)3(thd)]2, [Zr(OnPr)(O jPr)2(thd)]2, Zr(OjPr)(thd) 3, [Hf(OnPr)3(thd)]2, and Hf(O jPr)(thd)3 were isolated and characterized. The structure of the n-propoxide analogue of Zr(OjPr)(thd)3 could not be refined, but its existence was clearly demonstrated by XRD and 1H NMR. The modification of the propoxide precursors involves mono- and trisubstituted intermediate compounds and does not involve a disubstituted compound; thus, the commercial product that is claimed to be "Zr(O jPr)2(thd)2" and is most commonly used for the MOCVD preparation of ZrO2 does not exist. No evidence was found for the presence of such a compound in either zirconium- or hafnium-based systems. Formation of the dimeric hydroxo-di-thd-substituted complex, [Hf(OH)(OjPr)(thd)2]2, which could be isolated only for hafnium-based systems, occurs on microhydrolysis. All heteroleptic intermediates are eventually transformed to the thermodynamically stable Zr(thd)4 or Hf(thd)4. The compounds obtained from isopropoxide precursors showed a higher stability than those with n-propoxide ligands or a combination of both types. In addition, it is important to note that residual alcohol facilitates the transformation and strongly enhances its rate. The unusually low solubility and volatility of MIV(thd) 4 has been shown to be due to close packing and strong van der Waals interactions in the crystal structures of these compounds.
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| 5. |
- Stone, Vicki, et al.
(author)
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The Essential Elements of a Risk Governance Framework for Current and Future Nanotechnologies
- 2018
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In: Risk Analysis. - : Wiley. - 0272-4332 .- 1539-6924. ; 38:7, s. 1321-1331
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Journal article (peer-reviewed)abstract
- Societies worldwide are investing considerable resources into the safe development and use of nanomaterials. Although each of these protective efforts is crucial for governing the risks of nanomaterials, they are insufficient in isolation. What is missing is a more integrative governance approach that goes beyond legislation. Development of this approach must be evidence based and involve key stakeholders to ensure acceptance by end users. The challenge is to develop a framework that coordinates the variety of actors involved in nanotechnology and civil society to facilitate consideration of the complex issues that occur in this rapidly evolving research and development area. Here, we propose three sets of essential elements required to generate an effective risk governance framework for nanomaterials. (1) Advanced tools to facilitate risk-based decision making, including an assessment of the needs of users regarding risk assessment, mitigation, and transfer. (2) An integrated model of predicted human behavior and decision making concerning nanomaterial risks. (3) Legal and other (nano-specific and general) regulatory requirements to ensure compliance and to stimulate proactive approaches to safety. The implementation of such an approach should facilitate and motivate good practice for the various stakeholders to allow the safe and sustainable future development of nanotechnology.
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| 6. |
- Martin, S, et al.
(author)
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Pre-validation of a reporter gene assay for oxidative stress for the rapid screening of nanobiomaterials
- 2022
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In: Frontiers in toxicology. - : Frontiers Media SA. - 2673-3080. ; 4, s. 974429-
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Journal article (peer-reviewed)abstract
- Engineered nanomaterials have been found to induce oxidative stress. Cellular oxidative stress, in turn, can result in the induction of antioxidant and detoxification enzymes which are controlled by the nuclear erythroid 2-related factor 2 (NRF2) transcription factor. Here, we present the results of a pre-validation study which was conducted within the frame of BIORIMA (“biomaterial risk management”) an EU-funded research and innovation project. For this we used an NRF2 specific chemically activated luciferase expression reporter gene assay derived from the human U2OS osteosarcoma cell line to screen for the induction of the NRF2 mediated gene expression following exposure to biomedically relevant nanobiomaterials. Specifically, we investigated Fe3O4-PEG-PLGA nanomaterials while Ag and TiO2 “benchmark” nanomaterials from the Joint Research Center were used as reference materials. The viability of the cells was determined by using the Alamar blue assay. We performed an interlaboratory study involving seven different laboratories to assess the applicability of the NRF2 reporter gene assay for the screening of nanobiomaterials. The latter work was preceded by online tutorials to ensure that the procedures were harmonized across the different participating laboratories. Fe3O4-PEG-PLGA nanomaterials were found to induce very limited NRF2 mediated gene expression, whereas exposure to Ag nanomaterials induced NRF2 mediated gene expression. TiO2 nanomaterials did not induce NRF2 mediated gene expression. The variability in the results obtained by the participating laboratories was small with mean intra-laboratory standard deviation of 0.16 and mean inter laboratory standard deviation of 0.28 across all NRF2 reporter gene assay results. We conclude that the NRF2 reporter gene assay is a suitable assay for the screening of nanobiomaterial-induced oxidative stress responses.
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| 7. |
- Neely, Benjamin A., et al.
(author)
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Toward an Integrated Machine Learning Model of a Proteomics Experiment
- 2023
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In: Journal of Proteome Research. - : American Chemical Society (ACS). - 1535-3893 .- 1535-3907. ; 22:3, s. 681-696
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Research review (peer-reviewed)abstract
- In recent years machine learning has made extensive progress in modeling many aspects of mass spectrometry data. We brought together proteomics data generators, repository managers, and machine learning experts in a workshop with the goals to evaluate and explore machine learning applications for realistic modeling of data from multidimensional mass spectrometry-based proteomics analysis of any sample or organism. Following this sample-to-data roadmap helped identify knowledge gaps and define needs. Being able to generate bespoke and realistic synthetic data has legitimate and important uses in system suitability, method development, and algorithm benchmarking, while also posing critical ethical questions. The interdisciplinary nature of the workshop informed discussions of what is currently possible and future opportunities and challenges. In the following perspective we summarize these discussions in the hope of conveying our excitement about the potential of machine learning in proteomics and to inspire future research.
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| 8. |
- Shao, Jingxia, et al.
(author)
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Functional analysis of the HD-Zip transcription factor genes Oshox12 and Oshox14 in rice
- 2018
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In: PLOS ONE. - : PUBLIC LIBRARY SCIENCE. - 1932-6203. ; 13:7
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Journal article (peer-reviewed)abstract
- The homeodomain-leucine zipper (HD-Zip) transcription factor family plays vital roles in plant development and morphogenesis as well as responses to biotic and abiotic stresses. In barley, a recessive mutation in Vrs1 (HvHox1) changes two-rowed barley to six-rowed barley, which improves yield considerably. The Vrs1 gene encodes an HD-Zip subfamily I transcription factor. Phylogenetic analysis has shown that the rice HD-Zip I genes Oshox12 and Oshox14 are the closest homologues of Vrs1. Here, we show that Oshox12 and Oshox14 are ubiquitously expressed with higher levels in developing panicles. Trans-activation assays in yeast and rice protoplasts demonstrated that Oshox12 and Oshox14 can bind to a specific DNA sequence, AH1 (CAAT(A/T)ATTG), and activate reporter gene expression. Overexpression of Oshox12 and Oshox14 in rice resulted in reduced panicle length and a dwarf phenotype. In addition, Oshox14 overexpression lines showed a deficiency in panicle exsertion. Our findings suggest that Oshox12 and Oshox14 may be involved in the regulation of panicle development. This study provides a significant advancement in understanding the functions of HD-Zip transcription factors in rice.
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| 9. |
- Spijksma, Gerald I., et al.
(author)
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Nona-coordinated MO6N3 centers M = Zr, Hf as a stable building block for the construction of heterometallic alkoxide precursors
- 2007
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In: Inorganica Chimica Acta. - : Elsevier BV. - 0020-1693 .- 1873-3255. ; 360:6, s. 2045-2055
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Journal article (peer-reviewed)abstract
- The modification of zirconium or hafnium alkoxides with diethanolamine, H(2)dea, leads to the formation of unique nona-coordinated M{mu-eta(3)-NH(C2H4O)(2)}(3) cores. The mechanism is used to develop a self-assembly approach to the first thermodynamically stable zirconium-titanium and hafnium-titanium precursors, Zr{mu-eta(3)-NH(C2H4O)(2)}(3)[Ti((OPr)-Pr-i)(3)](2) (1) and Hf{mu-eta(3)-NH(C2H4O)(2))(3)[Ti((OPr)-Pr-i)(3)](2) (2). Mass spectrometric characterization of these compounds demonstrates their volatility. In addition to the solution stability of these compounds the volatility makes them attractive single source precursors for MOCVD and ALD applications. These precursors are also interesting candidates for application in sol-gel synthesis of microporous materials as the stability of the core prevents self-assembly of ligands on the outer surface of the primary particles formed during the hydrolysis. A n-propoxide analog of 1 can be prepared from zirconium n-propoxide but does not yield any crystalline material. It is demonstrated that 1 can be prepared from [Zr((OPr)-Pr-n)((OPr)-Pr-i)(3) ((PrOH)-Pr-i)](2), however, with a lower yield compared to the use of zirconium isopropoxide. The single crystals obtained from systems containing zirconium isopropoxide, titanium isopropoxide and triethanolamine H(3)tea turned out to be Ti-2((OPr)-Pr-i)(2)(mu-eta(4)-NH(C2H4O)(3)}(2))(2) (4). Theoretical calculations indicate that the octacoordinate M{mu-eta(4)-N(C2H4O)(3)}(2) core, anticipated in reaction with H(3)tea, will have metal-nitrogen bonds that are too long for its stabilization. This explains why the formation of 4 is thermodynamically favored over the formation of heterometallic species.
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| 10. |
- Spijksma, Gerald I., et al.
(author)
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The molecular composition of non-modified and acac-modified propoxide and butoxide precursors of zirconium and hafnium dioxides
- 2009
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In: Journal of Sol-Gel Science and Technology. - : Springer Science and Business Media LLC. - 0928-0707 .- 1573-4846. ; 51:1, s. 10-22
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Journal article (peer-reviewed)abstract
- Long-term storage at 0 A degrees C of a paraffin-sealed flask with commercial 70 wt% solution of zirconium n-propoxide in n-propanol resulted in crystallization of an individual oxoalkoxide complex Zr(4)O(O(n)Pr)(14)((n)PrOH)(2) in over 20% yield. The structure of this molecule can be described as a triangular Zr(3)(mu(3)-O)(OR)(10)(ROH) core of 3 edge-sharing octahedrons with an additional Zr(OR)(4)(ROH) unit attached through a pair of (mu-OR) bridges. Mass spectrometric and (1)H NMR investigation of the commercial samples of the most broadly applied zirconium and hafnium n-propoxides and n-butoxides indicate the presence of analogous species in the commercial alkoxide precursors. The content of oxo-alkoxide species in the commercial precursors has been estimated to be similar to 20% for n-propoxide and similar to 35% for zirconium n-butoxide. A new route has been presented for synthesis of the individual crystalline mixed ligand precursor [Zr(O(n)Pr)(O(i)Pr)(3)((i)PrOH)](2), from zirconium n-propoxide. A high yield has been observed (similar to 90%), indicative of an almost complete precursor transformation. Mass spectrometry has shown that the synthesized mixed ligand precursor is dimeric, which makes it an attractive alternative to zirconium n-propoxide. Addition of 1 eq of Acetylacetone to zirconium or hafnium alkoxide precursors results in formation of dimeric [M(OR)(3)(acac)](2) in high yields. These species have limited stability (much higher for Hf than for Zr) and transform in solution into hydrolysis-insensitive M(acac)(4) through very unstable M(acac)(3)(OR) intermediates containing 7-coordinated metal centers. This transformation can be followed kinetically in hydrocarbon solvents by (1)H NMR and is noticeably accelerated by addition of parent alcohols. The obtained results clearly reveal limited applicability of EXAFS and XANES techniques for the study of such systems, especially in the context of structure prediction.
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| 11. |
- Thees, Maximilian, et al.
(author)
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Imaging the itinerant-to-localized transmutation of electrons across the metal-to-insulator transition in V2O3
- 2021
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In: Science Advances. - : American Association for the Advancement of Science (AAAS). - 2375-2548. ; 7:45
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Journal article (peer-reviewed)abstract
- In solids, strong repulsion between electrons can inhibit their movement and result in a “Mott” metal-to-insulator transition (MIT), a fundamental phenomenon whose understanding has remained a challenge for over 50 years. A key issue is how the wave-like itinerant electrons change into a localized-like state due to increased interactions. However, observing the MIT in terms of the energy- and momentum-resolved electronic structure of the system, the only direct way to probe both itinerant and localized states, has been elusive. Here we show, using angle-resolved photoemission spectroscopy (ARPES), that in V2O3, the temperature-induced MIT is characterized by the progressive disappearance of its itinerant conduction band, without any change in its energy-momentum dispersion, and the simultaneous shift to larger binding energies of a quasi-localized state initially located near the Fermi level.
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