通过基于 ML 的分类,识别工程纳米结构金属氧化物中有关细胞吸收的表面改性剂的结构特征。

IF 2.6 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Beilstein Journal of Nanotechnology Pub Date : 2024-07-22 eCollection Date: 2024-01-01 DOI:10.3762/bjnano.15.75
Indrasis Dasgupta, Totan Das, Biplab Das, Shovanlal Gayen
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引用次数: 0

摘要

纳米粒子(NPs)被认为是医学、电子学和环境科学等多个领域的多功能工具。了解纳米粒子表面改性剂的结构方面对其细胞吸收的影响,对于优化其功效和减少潜在的细胞毒性至关重要。细胞吸收受多种因素影响,即 NPs 的尺寸、形状、表面电荷及其表面功能化。本研究开发了基于分类的 ML 模型(即贝叶斯分类、随机森林、支持向量分类器和线性判别分析),以确定对多种细胞类型(包括胰腺癌细胞 (PaCa2)、人内皮细胞 (HUVEC) 和人巨噬细胞 (U937))中 ENMOs 的细胞摄取有显著影响的特征/指纹。已为每种细胞类型确定了最佳模型,并对其进行了分析,以检测支配细胞摄取 ENMOs 的结构指纹/特征。这项研究将指导科学家设计出细胞摄取效率更高的 ENMOs,以获得更好的治疗效果。
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Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification.

Nanoparticles (NPs) are considered as versatile tools in various fields including medicine, electronics, and environmental science. Understanding the structural aspects of surface modifiers in nanoparticles that govern their cellular uptake is crucial for optimizing their efficacy and minimizing potential cytotoxicity. The cellular uptake is influenced by multiple factors, namely, size, shape, and surface charge of NPs, as well as their surface functionalization. In the current study, classification-based ML models (i.e., Bayesian classification, random forest, support vector classifier, and linear discriminant analysis) have been developed to identify the features/fingerprints that significantly contribute to the cellular uptake of ENMOs in multiple cell types, including pancreatic cancer cells (PaCa2), human endothelial cells (HUVEC), and human macrophage cells (U937). The best models have been identified for each cell type and analyzed to detect the structural fingerprints/features governing the cellular uptake of ENMOs. The study will direct scientists in the design of ENMOs of higher cellular uptake efficiency for better therapeutic response.

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来源期刊
Beilstein Journal of Nanotechnology
Beilstein Journal of Nanotechnology NANOSCIENCE & NANOTECHNOLOGY-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
5.70
自引率
3.20%
发文量
109
审稿时长
2 months
期刊介绍: The Beilstein Journal of Nanotechnology is an international, peer-reviewed, Open Access journal. It provides a unique platform for rapid publication without any charges (free for author and reader) – Platinum Open Access. The content is freely accessible 365 days a year to any user worldwide. Articles are available online immediately upon publication and are publicly archived in all major repositories. In addition, it provides a platform for publishing thematic issues (theme-based collections of articles) on topical issues in nanoscience and nanotechnology. The journal is published and completely funded by the Beilstein-Institut, a non-profit foundation located in Frankfurt am Main, Germany. The editor-in-chief is Professor Thomas Schimmel – Karlsruhe Institute of Technology. He is supported by more than 20 associate editors who are responsible for a particular subject area within the scope of the journal.
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