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Resolution of overlapping optical signals: Dual sensing vs chemometrics
Clara Pérez-Ràfols1, Núria Serrano1, Elisabet Fuguet2
1Department of Chemical Engineering and Analytical Chemistry, Universitat de Barcelona (UB), Martí i Franquès 1-11, 08028, Barcelona, Spain; Water Research Institute (IdRA), University of Barcelona, Martí i Franquès 1-11, 08028, Barcelona, Spain.
Signal overlapping in UV-Vis spectroscopy hinders on-site analysis. This study compares dual sensing and chemometrics for signal resolution, finding chemometrics effective in dynamic conditions and dual sensing superior for specific binary mixtures.
Area of Science:
- Analytical Chemistry
- Spectroscopy
- Electrochemistry
Background:
- Signal overlapping in UV-Vis spectroscopy limits on-site analysis accuracy.
- Developing methods to resolve overlapping signals without sample pretreatment is crucial.
Purpose of the Study:
- To compare dual sensing (optical + electrochemical) and chemometrics for resolving overlapping UV-Vis signals.
- To evaluate these strategies in chemical systems with one or two electroactive species.
Main Methods:
- Dual sensing: combined UV-Vis spectroscopy and electrochemical measurements.
- Chemometrics: data treatment of UV-Vis spectral data.
- Tested on pyrocatechol (CC) with isonicotinamide (INAM) and isoniazide (INH) systems.
Main Results:
- Both methods resolved signals in static conditions (R² > 0.989).
- Chemometrics successfully resolved signals in dynamic conditions (R² > 0.99).
- Dual sensing excelled in resolving CC and INAM, especially at low CC concentrations.
Conclusions:
- Chemometrics offers robust signal resolution for complex mixtures under dynamic conditions.
- Dual sensing is highly effective for specific binary systems, outperforming chemometrics in certain scenarios.
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