Sensitivity limits for determining 1:1 binding constants from spectrophotometric titrations via global analysis

• DOI: 10.1002/cem.3119
• Publication Date: 2019-03-20T04:56:11Z
• Authors: Nathanael P. Kazm...; Joyce A. Chew; Anna R. Michmerhu...; Seong Eun Kim; Zachary D. Drees; Andrew Rylaarsdam; Tasha Thong; Luke Van Laar; Douglas A. Vander...
• Keywords: Binding constant; Constant (computer programming)

Monte Carlo simulations on UV‐vis titration data quantify how the precision of binding constant calculation deteriorates in strong regimes. For 1:1 binding, global analysis is reliable when K [H] o < 1000, a significant improvement over previous recommendations. Initial concentration error generates majority calculated constant. We derive novel experimental design formula to maximize both and weak regimes validate it through simulations.