Computer Simulation of Alanine Oligomers in an IR Electric Field with Different Form and Polarization

A method of computer simulation of intramolecular vibrations of alanine oligomers in an electric field possesses different types of polarization. Amplitude-time realizations of the integral electric dipole moment of biomolecules and the Fourier spectrum of frequencies of intramolecular vibrations were calculated. Effects of changes in spectral components in the far and middle IR ranges were identified, which reveal physical properties and transformations of the states of biomolecules due to differences in polarization of the irradiating field. The obtained data can be used in life sciences, in various spectroscopic studies, and in the development of medical, pharmaceutical, and nano-biomolecular technologies, as well as in bioelectronic and heterogeneous hybrid microelectronic devices with embedded biomolecular components.