Reconstruction of the spectral properties of a biomolecule under electromagnetic exposure by means of molecular simulation

Mirka Zago, Piero Fossati, Alessandro Palombo, Guglielmo D'Inzeo

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In this paper we develop a model to describe the interaction between an electromagnetic field and a biological microstructure (protoporphyrin IX). We suppose that the energy transferred from the field to the molecule induces a change in the molecule's normal frequencies of vibration. We use a molecular dynamic simulation package to calculate the new vibrational frequencies when the field is applied. We use these new calculated frequencies as an input for a model that, considering linear coupling between these modes and an electronic transition, allows us to calculate the absorption spectrum in the Soret band.

Original languageEnglish
Title of host publicationProceedings of the International Conference on Bioelectromagnetism
PublisherIEEE
Pages65-66
Number of pages2
Publication statusPublished - 1998
EventProceedings of the 1998 2nd International Conference on Bioelectromagnetism - Melbourne, Australia
Duration: Feb 15 1998Feb 18 1998

Other

OtherProceedings of the 1998 2nd International Conference on Bioelectromagnetism
CityMelbourne, Australia
Period2/15/982/18/98

ASJC Scopus subject areas

  • Engineering(all)

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