Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon porphine

Abstract

Background: Recognizing effects of static magnetic field (SMF) of varying flux density on flora and fauna is attempted. For this purpose the influence of SMF upon the porphine molecule is studied. Methods: Computations of the effect of static magnetic field (SMF) of 0.0, 0.1, 1, 10 and 100 AFU (1 AFU > 1000 T) flux density were performed in silico for SMF changes distribution of the electron density in that molecule. HyperChem 8.0 software was used together with the AM1 method for optimization of the conformation of the molecule of porphine. The computations of polarizability, charge distribution, potential and dipole moment for molecules placed in SMF were performed for molecule situated subsequently in the x-y, y-z and x-z planes of the Cartesian system. The computations involved the DFT 3-21G method. Results: Static magnetic field (SMF) decreased stability of the porphine molecule. This effect depended on the situating the molecule in respect to the direction of SMF of the Cartesian system. An increase in the value of heat of formation was accompanied by an increase in dipole moment. Conclusions: Observed effects resulted from deformations of the molecule which involved pyrrole rings holding the hydrogen atoms at the ring nitrogen atoms and the length of the C–H and N–H bonds. In a consequence that macrocyclic ring lost its planarity.