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一个用于动态光散射数据分析的用户友好型图形用户界面。

A user-friendly graphical user interface for dynamic light scattering data analysis.

作者信息

Salazar Matthew, Srivastav Harsh, Srivastava Abhishek, Srivastava Samanvaya

机构信息

Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, CA 90095, USA.

Sibley School of Mechanical and Aerospace Engineering, Cornell University, Ithaca, NY 14853, USA.

出版信息

Soft Matter. 2023 Aug 30;19(34):6535-6544. doi: 10.1039/d3sm00469d.

Abstract

Dynamic light scattering (DLS) is a commonly used analytical tool for characterizing the size distribution of colloids in a dispersion or a solution. Typically, the intensity of a scattering produced from the sample at a fixed angle from an incident laser beam is recorded as a function of time and converted into time autocorrelation data, which can be inverted to estimate the distribution of colloid diffusivity to estimate the colloid size distribution. For polydisperse samples, this inversion problem, being a Fredholm integral equation of the first kind, is ill-posed and is typically handled using cumulant expansions or regularization methods. Here, we introduce a user-friendly graphical user interface (GUI) for analyzing the measured scattering intensity time autocorrelation data using both the cumulant expansion method and regularization methods, with the latter implemented using various commonly employed algorithms, including NNLS, CONTIN, REPES, and DYNALS. The GUI allows the user to modulate any and all of the fit parameters, offering extreme flexibility. Additionally, the GUI also enables a comparison of the size distributions generated by various algorithms and an evaluation of their performance. We present the fit results obtained from the GUI for model monomodal and bimodal dispersions to highlight the strengths, limitations, and scope of applicability of these algorithms for analyzing time autocorrelation data from DLS.

摘要

动态光散射(DLS)是一种常用的分析工具,用于表征分散体或溶液中胶体的尺寸分布。通常,从样品在与入射激光束成固定角度处产生的散射强度作为时间的函数被记录下来,并转换为时间自相关数据,该数据可以被反演以估计胶体扩散率的分布,从而估计胶体尺寸分布。对于多分散样品,这个反演问题作为第一类弗雷德霍姆积分方程,是不适定的,通常使用累积量展开或正则化方法来处理。在这里,我们引入了一个用户友好的图形用户界面(GUI),用于使用累积量展开方法和正则化方法分析测量的散射强度时间自相关数据,正则化方法使用包括非负最小二乘法(NNLS)、CONTIN、REPES和DYNALS在内的各种常用算法来实现。该GUI允许用户调整任何和所有拟合参数,提供了极大的灵活性。此外,该GUI还能够比较由各种算法生成的尺寸分布并评估它们的性能。我们展示了从GUI获得的针对模型单峰和双峰分散体的拟合结果,以突出这些算法在分析来自DLS的时间自相关数据时的优点、局限性和适用范围。

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