Vibrational Spectroscopy in the Discovery Phase Component of Pharmaceutical Research

Abstract

The sections in this article are Introduction – The Role of Vibrational Spectroscopy in Drug Discovery Vibrational Spectroscopy in Support of Synthesis Direct Functional Group Analysis Sampling for Routine Structural Analysis – Making the Technology Simple and Readily Available Elevating the Throughput of R aman Analysis In Situ Analysis of Reaction Mechanisms and Kinetics GC / FT ‐ IR Analysis of Synthetic Compounds/Mixtures Vibrational Spectroscopy as a Tool for Understanding Compound/Drug Properties in the Discovery Process Analysis of Hydrogen Bonding Vibrational Analysis of Protein–Ligand Interactions Isomer/Tautomer Analysis Conclusion

Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: in situ investigation and isolation of reaction intermediates

“…42 Acquired spectra were processed a curve-resolution algorithms having the capability to group wavenumber values that change absorbance intensity in the same manner (ConcIRT module, implemented in the iC Raman software). 43,44 For each group, the algorithm calculates the associated component spectrum and relative concentration profile. As each new reaction spectrum is acquired, all the reaction spectra are re-analysed and the individual component spectra and profiles are updated.…”