Mathematical Modeling of a Supramolecular Assembly for Pyrophosphate Sensing.

ABSTRACT: The power of sensing molecules is often characterized in part by determining their thermodynamic/dynamic properties, in particular the binding constant of a guest to a host. In many studies, traditional nonlinear regression analysis has been used to determine the binding constants, which cannot be applied to complex systems and limits the reliability of such calculations. Supramolecular sensor systems include many interactions that make such chemical systems complicated. The challenges in creating sensing molecules can be significantly decreased through the availability of detailed mathematical models of such systems. Here, we propose uncovering accurate thermodynamic parameters of chemical reactions using better-defined mathematical modeling-fitting analysis is the key to understanding mo

SUBMITTER: Emami F 

PROVIDER: S-EPMC8724255 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature