Mechanism of Potential Development for Potentiometric Sensors, Based on Modeling of Interaction Between Electrochemically Active Compounds from the Membrane and Analyte

Modeling of interaction between analyte and electrochemically active compounds represents a new theoretical approach to predict the response and mechanism of potential development for ion-selective membrane electrodes. Therefore, correlations between the parameters (e.g., free energy, HUMO, LUMO, bound lenght) obtained using modeling, and experimental results (e.g., slope, free energy) obtained using ion-selective electrodes will be shown for sensors based on fullerens. The influence of matrix of the ion-selective electrodes on their response and selectivity will be shown.

The very first results of this study (a new mechanism of potential development for ion-selective electrodes) were discussed with Professor Buck during his participation to a conference in Constantza, Romania in 1993. He was the first that recognized the value of this theoretical spects, and his comments were extremely valuable for the work I developed until now in the theoretical field of ion-selective membrane electrodes.

Acknowledgements This work was supported by UEFISCDI PNII Program Ideas 2011-2014, Contract nr. 123/05.10.2011.