Sensitivity Limits for Determining 1:1 Binding Constants from Spectrophotometric Titrations via Global Analysis

Published in Journal of Chemometrics, 2019

Recommended citation: Kazmierczak, N.P.; Chew, J.A.; Michmerhuizen, A.R.; Kim, S.E.; Drees, Z.D.; Rylaarsdam, A.; Thong, T.; Van Laar, L.; Vander Griend, D.A. Sensitivity Limits for Determining 1:1 Binding Constants from Spectrophotometric Titrations via Global Analysis. Journal of Chemometrics, 2019, 33:e3119. Online access

We use Monte Carlo simulations on UV-vis titration data to quantify the robustness of global analysis for determining 1:1 binding constants in the presence of various types of errors and in different binding regimes. We also propose an experimental design framework to study such binding constants with high precision.