Center for Chemical Toxicology Research and Pharmacokinetics, North Carolina State University, Raleigh, North Carolina, USA.
Nat Nanotechnol. 2010 Sep;5(9):671-5. doi: 10.1038/nnano.2010.164. Epub 2010 Aug 15.
In a physiological environment, nanoparticles selectively absorb proteins to form 'nanoparticle-protein coronas', a process governed by molecular interactions between chemical groups on the nanoparticle surfaces and the amino-acid residues of the proteins. Here, we propose a biological surface adsorption index to characterize these interactions by quantifying the competitive adsorption of a set of small molecule probes onto the nanoparticles. The adsorption properties of nanomaterials are assumed to be governed by Coulomb forces, London dispersion, hydrogen-bond acidity and basicity, polarizability and lone-pair electrons. Adsorption coefficients of the probe compounds were measured and used to create a set of nanodescriptors representing the contributions and relative strengths of each molecular interaction. The method successfully predicted the adsorption of various small molecules onto carbon nanotubes, and the nanodescriptors were also measured for 12 other nanomaterials. The biological surface adsorption index nanodescriptors can be used to develop pharmacokinetic and safety assessment models for nanomaterials.
在生理环境中，纳米粒子会选择性地吸附蛋白质，形成“纳米粒子-蛋白质冠”，这一过程受纳米粒子表面化学基团与蛋白质氨基酸残基之间的分子相互作用控制。在这里，我们提出了一种生物表面吸附指数，通过定量小分子探针在纳米粒子上的竞争吸附来表征这些相互作用。纳米材料的吸附性质假定受库仑力、伦敦色散力、氢键酸碱性、极化率和孤对电子的控制。测量了探针化合物的吸附系数，并将其用于创建一组纳米描述符，代表每种分子相互作用的贡献和相对强度。该方法成功预测了各种小分子在碳纳米管上的吸附，并且还测量了其他 12 种纳米材料的纳米描述符。生物表面吸附指数纳米描述符可用于开发纳米材料的药代动力学和安全性评估模型。
