使用模型平均方法模拟纳米材料的毒性

IF 2.6 4区 材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Rahmasari Nur Azizah, Geert R. Verheyen, Ziv Shkedy, Sabine Van Miert
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引用次数: 0

摘要

纳米材料可以在许多应用中找到,从日常用品到医疗保健行业。由于人体可以通过多种途径接触到纳米材料,因此有必要对其进行研究,特别是对其对人体的潜在不良影响进行研究。这项研究是在欧盟H2020 NanoInformaTIX项目下进行的,重点是纳米材料毒性的剂量反应分析。本研究以体外研究数据为基础,利用非线性剂量-反应模型建立纳米材料给药量与细胞可能产生的毒性反应之间的关系。以65个纳米材料的数据为例,这些数据根据细胞类型进行了区分,首先采用似然比检验,发现了显著的单调趋势。然后对具有显著单调趋势的14个数据子集进行剂量-反应模型拟合。在此基础上拟合了三参数、四参数和五参数logistic模型、Weibull模型和Gompertz模型等非线性模型。以纳米-110(氧化锌,未涂覆)和纳米-102(二氧化钛,锐钛矿)为例进行了分析。对于NM-102(钛白粉、锐钛矿),根据AIC值,最佳模型为Weibull模型,其ED50值为22.710 (95% ci为3.584 ~ 41.836)。考虑到所有拟合模型,也计算了ED50的模型平均估计值,等于20.725。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Modeling of nanomaterial toxicity using a model averaging approach

Modeling of nanomaterial toxicity using a model averaging approach

Nanomaterials can be found in many applications, from daily products to the healthcare industry. Since human can be exposed to nanomaterials through many ways, it is necessary to study the nanomaterials, especially their potential adverse effects on humans. This research was conducted under the European’s Union H2020 NanoInformaTIX project and focused on the dose-response analysis of nanomaterials’ toxicity. This research, focusing on the data of in vitro studies, aimed to model the relationship between the amount of administered nanomaterial and the possible toxic response on the cells using nonlinear models for the dose-response data. The data used as an example consisted of 65 data of nanomaterials which was differentiated by the cell types, on which the Likelihood ratio test was first applied to identify significant monotone trend. Dose-response model fitting was then conducted on the 14 data subsets with significant monotone trends. Several nonlinear models such as the Three-, Four-, and Five-parameter Log-logistic model, Weibull model, and Gompertz model were fitted on the data. As an illustration, the analysis of NM-110 (zinc oxide, uncoated) and NM-102 (titanium dioxide, anatase) was presented. For the NM-102 (titanium dioxide, anatase), the best model was the Weibull model according to the value of the AIC, with the value of ED50 equals 22.710 (95% C.I, 3.584–41.836). The model average estimate of the ED50 was also calculated by taking into account all fitted models, which was equal to 20.725.

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来源期刊
Journal of Nanoparticle Research
Journal of Nanoparticle Research 工程技术-材料科学:综合
CiteScore
4.40
自引率
4.00%
发文量
198
审稿时长
3.9 months
期刊介绍: The objective of the Journal of Nanoparticle Research is to disseminate knowledge of the physical, chemical and biological phenomena and processes in structures that have at least one lengthscale ranging from molecular to approximately 100 nm (or submicron in some situations), and exhibit improved and novel properties that are a direct result of their small size. Nanoparticle research is a key component of nanoscience, nanoengineering and nanotechnology. The focus of the Journal is on the specific concepts, properties, phenomena, and processes related to particles, tubes, layers, macromolecules, clusters and other finite structures of the nanoscale size range. Synthesis, assembly, transport, reactivity, and stability of such structures are considered. Development of in-situ and ex-situ instrumentation for characterization of nanoparticles and their interfaces should be based on new principles for probing properties and phenomena not well understood at the nanometer scale. Modeling and simulation may include atom-based quantum mechanics; molecular dynamics; single-particle, multi-body and continuum based models; fractals; other methods suitable for modeling particle synthesis, assembling and interaction processes. Realization and application of systems, structures and devices with novel functions obtained via precursor nanoparticles is emphasized. Approaches may include gas-, liquid-, solid-, and vacuum-based processes, size reduction, chemical- and bio-self assembly. Contributions include utilization of nanoparticle systems for enhancing a phenomenon or process and particle assembling into hierarchical structures, as well as formulation and the administration of drugs. Synergistic approaches originating from different disciplines and technologies, and interaction between the research providers and users in this field, are encouraged.
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