Abstract

This work is devoted to the effect of pressure on the structure of lamivudine by using Raman and infrared spectroscopy in diamond anvil cells. The results showed a transition from tetragonal crystal Form Ⅱ to an unknown Form Ⅲ' at approximately 1.26 GPa, followed by a transition from Form Ⅲ' to Form Ⅳ' at pressure of 7.23 GPa. The phase transitions were marked by unique profiles and pressure-dependent characteristic modes. Pressure-induced changes in structural symmetry led to conformational transition in lamivudine. Furthermore, there was a considerable conformational variation between A and D in lamivudine molecule to maintain structural balance. Spectroscopic measurements indicated that these pressure-induced changes were reversible below approximately 0.1 GPa.

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