Infrared dichroism of the DNA-caffeine complex. A new method for determination of the ligand orientation.

Infrared linear dichroism (LD) measurements on films of the DNA-caffeine complex in terms of the relative humidity (r.h.) show two main effects. Firstly, there is an insertion of caffeine molecules into the DNA double helix (B form), as evidenced by a very strong parallel LD behaviour of the 745 cm-1 band due to the C-H out-of-plane deformation vibration of caffeine. Furthermore, a high r.h. values a modified B form occurs in the complex similar to the B form recently reported by BRAHMS and coworkers for DNA-polypeptide complexes. The reversible B-A transition of the DNA in dependence of the r.h. is not affected in general in the presence of caffeine.