Theory, simulations and the design of functionalized nanoparticles for biomedical applications: A Soft Matter Perspective (生物医用功能化纳米粒子的理论、模拟与设计：从软物质角度的理解) 
Stefano Angioletti-Uberti,Coarse-grained models; Materials science; Nanoparticles; Physics; Polymers
npj Computational Materials 3:48 (2017)
doi:10.1038/s41524-017-0050-y
Published online:13 November 2017
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摘要:生物医用功能化纳米粒子是一个激动人心、快速发展的研究领域。由于纳米-生物界面的具有相当的复杂性，针对该体系的理论和模拟究竟能在多大程度上真实有效是一个重要的问题。本综述将针对这一问题给出积极的答案。从“软物质”的角度切入问题，我们将研究功能化纳米粒子那些可以被经典理论描述的性质。因此我们不会关注光学和电子学性质，而是主要关注纳米粒子与生物环境的相互作用方式，通过对材料表面功能化，并结合不同应用背景，来调控这些相互作用方式。我们尤其希望针对描述这些相互作用的理论和粗粒化模型给出重要概述，并为读者展示这一引人入胜领域中的最新结果。 　　

Abstract:Functionalised nanoparticles for biomedical applications represents an incredibly exciting and rapidly growing field of research. Considering the complexity of the nano–bio interface, an important question is to what extent can theory and simulations be used to study these systems in a realistic, meaningful way. In this review, we will argue for a positive answer to this question. Approaching the issue from a “Soft Matter” perspective, we will consider those properties of functionalised nanoparticles that can be captured within a classical description. We will thus not concentrate on optical and electronic properties, but rather on the way nanoparticles’ interactions with the biological environment can be tuned by functionalising their surface and exploited in different contexts relevant to applications. In particular, we wish to provide a critical overview of theoretical and computational coarse-grained models, developed to describe these interactions and present to the readers some of the latest results in this fascinating area of research. 

Editorial Summary

生物医用功能化软纳米粒子的设计：理论与模拟