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机器学习辅助低温透射电子显微镜和粗粒度分子动力学模拟揭示爆轰纳米金刚石的复杂分散情况

Complex Dispersion of Detonation Nanodiamond Revealed by Machine Learning Assisted Cryo-TEM and Coarse-Grained Molecular Dynamics Simulations.

作者信息

Kuschnerus Inga C, Wen Haotian, Ruan Juanfang, Zeng Xinrui, Su Chun-Jen, Jeng U-Ser, Opletal George, Barnard Amanda S, Liu Ming, Nishikawa Masahiro, Chang Shery L Y

机构信息

School of Materials Science and Engineering, University of New South Wales, Sydney, New South Wales 2052, Australia.

Electron Microscope Unit, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, New South Wales 2052, Australia.

出版信息

ACS Nanosci Au. 2023 Apr 5;3(3):211-221. doi: 10.1021/acsnanoscienceau.2c00055. eCollection 2023 Jun 21.

DOI:10.1021/acsnanoscienceau.2c00055
PMID:37360847
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10288606/
Abstract

Understanding the polydispersity of nanoparticles is crucial for establishing the efficacy and safety of their role as drug delivery carriers in biomedical applications. Detonation nanodiamonds (DNDs), 3-5 nm diamond nanoparticles synthesized through detonation process, have attracted great interest for drug delivery due to their colloidal stability in water and their biocompatibility. More recent studies have challenged the consensus that DNDs are monodispersed after their fabrication, with their aggregate formation poorly understood. Here, we present a novel characterization method of combining machine learning with direct cryo-transmission electron microscopy imaging to characterize the unique colloidal behavior of DNDs. Together with small-angle X-ray scattering and mesoscale simulations we show and explain the clear differences in the aggregation behavior between positively and negatively charged DNDs. Our new method can be applied to other complex particle systems, which builds essential knowledge for the safe implementation of nanoparticles in drug delivery.

摘要

了解纳米颗粒的多分散性对于确定其在生物医学应用中作为药物递送载体的功效和安全性至关重要。爆轰纳米金刚石(DND)是通过爆轰过程合成的3-5纳米金刚石纳米颗粒,由于其在水中的胶体稳定性和生物相容性,在药物递送方面引起了极大的兴趣。最近的研究对DND在制备后是单分散的这一共识提出了挑战,其聚集体形成情况尚不清楚。在这里,我们提出了一种将机器学习与直接低温透射电子显微镜成像相结合的新型表征方法,以表征DND独特的胶体行为。结合小角X射线散射和中尺度模拟,我们展示并解释了带正电和带负电的DND在聚集行为上的明显差异。我们的新方法可应用于其他复杂颗粒系统,这为纳米颗粒在药物递送中的安全应用建立了必要的知识。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/b9742be281e7/ng2c00055_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/fcd4079c14e3/ng2c00055_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/9c2b2e53c8e0/ng2c00055_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/8a54bf63d06b/ng2c00055_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/6955edf57239/ng2c00055_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/b9742be281e7/ng2c00055_0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/fcd4079c14e3/ng2c00055_0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/9c2b2e53c8e0/ng2c00055_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/8a54bf63d06b/ng2c00055_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/6955edf57239/ng2c00055_0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9983/10288606/b9742be281e7/ng2c00055_0005.jpg

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