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火枪手:一种用于分析滴定数据的软件工具。

Musketeer: a software tool for the analysis of titration data.

作者信息

Soloviev Daniil O, Hunter Christopher A

机构信息

Yusuf Hamied Department of Chemistry, University of Cambridge Lensfield Road Cambridge CB2 1EW UK

出版信息

Chem Sci. 2024 Aug 29;15(37):15299-310. doi: 10.1039/d4sc03354j.

Abstract

Musketeer is a powerful open-source software tool for the analysis of titration data, featuring a simple cross-platform graphical interface for importing data directly from UV-vis, fluorescence and NMR spectrometers, or from spreadsheets. The fast data analysis algorithm can be used to obtain equilibrium constants for simple binding isotherms, as well as for more complicated systems with multiple competing equilibria. Applications of Musketeer for the analysis of a range of different supramolecular and biomolecular systems are illustrated, including titrations with multiple spectroscopically active species, competitive binding assays, denaturation experiments, optimisation of concentrations as variables. The software also includes a number of tools that can be used to select the binding isotherm that represents the best model to describe a dataset.

摘要

火枪手是一款功能强大的开源软件工具,用于分析滴定数据,具有简单的跨平台图形界面,可直接从紫外可见光谱仪、荧光光谱仪和核磁共振光谱仪或电子表格中导入数据。快速数据分析算法可用于获取简单结合等温线以及具有多个竞争平衡的更复杂系统的平衡常数。文中展示了火枪手在一系列不同超分子和生物分子系统分析中的应用,包括用多种具有光谱活性的物种进行滴定、竞争性结合测定、变性实验、将浓度作为变量进行优化。该软件还包括许多工具,可用于选择最能描述数据集的结合等温线模型。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9396/11423637/80f1b7fc1d40/d4sc03354j-f1.jpg

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