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Self Modelling Curve Resolution applied to novel chemistries

Self Modelling Curve Resolution applied to novel chemistries. Catalysed Asymmetric Transfer Hydrogenation Reaction Quantitative Determination

Patman
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Self Modelling Curve Resolution applied to novel chemistries

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  1. Self Modelling Curve Resolution applied to novel chemistries

  2. Catalysed Asymmetric Transfer Hydrogenation Reaction Quantitative Determination The development of a quantitative calibration free methodology for 1-methyl-6,7-dimethoxy-3,4-dihydroisoquinoline and 1-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is described. Calibration Free methods have been applied to many problems over the last 15 years, but many of these are generally simplistic, either due to using chromatography combined with diode array detections, or time resolved kinetic studies. Applications on novel synthetic routes have been very few.

  3. FT-IR Spectra taken in -situ

  4. Overlay of the scaled least squares spectrum of di-substituted imine with the scaled reference spectrum The results show a reasonable degree of overlap from the reference to the resolved spectra. The LS spectra is later refined during the curve resolution process

  5. Evolving Factor Analysis combined with MCR-ALS resolved concentration profile of di-substituted imine and secondary amine. The initial results using traditional SMCR techniques – clearly there is a lack of fit – probably due to the lack of fit to the reference data. To resolve this problem – only selected wavelengths are used in the MCR – i.e. ones that fit the model best.

  6. Concentration profile at selective wavenumber with MCR-ALS; resolved concentration profile of di-substituted imine and secondary amine. An excellent fit to the experimental data and a significant advance on the application of SMCR to more complex chemistries.

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