6533b7d1fe1ef96bd125d5d6
RESEARCH PRODUCT
The use of topological models in analytical chemistry
Manuel V. GaldúJ.l. CarriónM. De La Guardiasubject
chemistry.chemical_compoundEthylene oxidechemistryGroup (periodic table)Chemical physicsStereochemistryApplied MathematicsChemical structureChemical interactionGroup theoryTopology (chemistry)Analytical Chemistrydescription
In the present paper, the possible analytical applications of two toplogical models, the DARC model and the group contribution model, are discussed. Both models are applied to obtain calibration laws, which relate UV and IR characteristics with the chemical structure of ethylene oxide condensates. The group contribution model is also applied to determine the contribution of each part of the different compounds involved in a chemical interaction process, having established the sensitization parameters of benzodiazepines and anionic surfactants from the micellar enhancement fluorescence.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2005-03-30 | Journal of Chemometrics |