The Study On Two-Dimensional Correlation Spectroscopy And Its Application

The theory, history and mathematical algorithm of the two-dimensional correlation spectroscopy are introduced and its possible application fields are presented.Two-dimensional correlation spectrum is applied to assign peaks in MIR region of 2800-3000001"' and NIR region of 4000-6500 cm-1 of the mixture of hexane and toluene, in order to explore a method to peak assignment in NIR region. Peak assignment in the region of 2800-3100cm-1 is completed and the overlapped peaks in the region of 2800-3000cm'1 are isolated by MIR/MIR 2D correlation spectrum in the region of 2800-3100cm"1. Peak assignment in the region of 4000-4800cm-1 is completed by MIR/NIR 2D correlation spectrum in the region of 2800-3100 cm-1 and 4000-4800cm-1 and its results are approved to be consistent with the results obtained from NIR/NIR 2D correlation spectrum in the region of 4000-4800 cm-1 and 4000-4800cm-1. Peak assignment in the region of 4800-6500cm-1 is also completed by MIR/NIR 2D correlation spectrum in the region of 2800-3100 cm-1 and 4000-4800cm-1.Perturbations that could change the secondary structure of protein are introduced in this thesis. Appling 2D correlation spectrum, peaks conformation and their assignments in the region of amide I and III are completed to the bovine serum albumin in the phosphate buffer solution under alkaline pH-independent perturbation. In addition, the change mechanism of the secondary structure under alkaline pH-independent perturbation is discussed and it is considered that a-hexlix and P sheet unfold and convert into 3 turn and random structure.