García de la Torre José, Hernández-Cifre José G
Departamento de Química Física, Universidad de Murcia, Campus de Espinardo, 30100, Murcia, Spain.
Eur Biophys J. 2025 Aug 24. doi: 10.1007/s00249-025-01791-7.
The theory, computational modelling and data analysis of hydrodynamic and other solution properties of macromolecules and nanoparticles in dilute solution are nowadays well-established. Along this essay, we briefly present the variety of methods which are currently available for those purposes. Although such methods embody an important complexity, they are usually presented as user-friendly tools which can be used without previous knowledge of their foundations. Some understanding of classical concepts in which modern tools are based can result in a better, more profitable, use of them and a most adequate form of presenting and discussing their results. We describe the utility of employing a systematic way of handling data and results for the solution properties in terms of equivalent radii, which indeed provide an alternative to the raw properties in their use for structural determinations. They can also be employed in the design of simulation of experiments and data analysis procedures, like in analytical ultracentrifugation as we propose finally in this paper.
如今，稀溶液中大分子和纳米颗粒的流体动力学及其他溶液性质的理论、计算建模和数据分析已经相当成熟。在本文中，我们简要介绍了目前可用于这些目的的各种方法。尽管这些方法存在重要的复杂性，但它们通常被呈现为用户友好型工具，无需事先了解其基础即可使用。对现代工具所基于的经典概念有一定的理解，有助于更好、更有效地使用这些工具，并以更恰当的形式呈现和讨论其结果。我们描述了采用系统方法处理溶液性质数据和结果的效用，以等效半径来表示，这确实为用于结构测定的原始性质提供了一种替代方法。它们还可用于实验模拟和数据分析程序的设计，比如我们在本文最后提出的分析超速离心法。
