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CONSTEQ – A program for association constants determination using solution NMR data

Domenii publicaţii > Fizica + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: C G Floare, M Bogdan

Editorial: AIP Conference Proceedings - Processes in Isotopes and Molecules (PIM 2013), 1565, p.48-52, 2013.


CONSTEQ is a program developed in our group to determine association constants from NMR titration experiments using a non-linear regression algorithm. We use it essentially to determine binding constants of supramolecular inclusion compounds of cyclodextrins, at 1:1 stoichiometry. The implemented algorithm performs a global analysis, simultaneously fitting multiple experimental datasets. In this contribution we present its capabilities, its performance and all its latest developments.

Cuvinte cheie: RMN, constante de asociere, ciclodextrine // NMR, association constants, cyclodextrins