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

Monte Carlo simulations on UV‐vis titration data quantify how the precision of binding constant calculation deteriorates in strong binding regimes. For 1:1 binding, global analysis is reliable when K[H]o 

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Bibliographic Details
Published in:Journal of chemometrics 2019-05, Vol.33 (5), p.n/a
Main Authors: Kazmierczak, Nathanael P., Chew, Joyce A., Michmerhuizen, Anna R., Kim, Seong Eun, Drees, Zachary D., Rylaarsdam, Andrew, Thong, Tasha, Van Laar, Luke, Vander Griend, Douglas A.
Format: Article
Language:English
Subjects:
Absorptivity
Binding
binding constant
Computer simulation
Confidence intervals
Design of experiments
Experimental design
hard modeling
Monte Carlo
Nonlinear analysis
Optimization
Regression analysis
Sensitivity
Spectrophotometry
Statistical analysis
Titration
UV‐vis
Wavelengths
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Description
Summary:Monte Carlo simulations on UV‐vis titration data quantify how the precision of binding constant calculation deteriorates in strong binding regimes. For 1:1 binding, global analysis is reliable when K[H]o 
ISSN:0886-9383
1099-128X
DOI:10.1002/cem.3119