ANALYSIS OF THE DEGREE OF SYMMETRY OF MACROMOLECULES ON THE BASIS OF A CONTINUOUS MEASURE OF CHIRALITY
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Abstract (English):
There is a close relationship between the symmetry of biological molecules and their physicochemical properties. To describe the functional activity of macromolecules at the first stage, it is necessary to develop a suitable measure of chirality. In this issue, there are two main approachesgeometric and physical. Physical measures are inextricably linked with the internal structure of molecules and take into account the interactions between the atoms of the system, whereas geometric considerations take into account only the arrangement of atoms. In the case of small molecules, geometric properties are inextricably linked with physical characteristics, but with increasing number of particles in the system, physical characteristics will be averaged, while geometric properties can be preserved. To estimate the contribution of individual elements to the overall value of the symmetry of the molecule, it is important that the chirality measure has the additivity property. The additivity of the measure is a necessary condition for researching the relationship between the symmetry properties and the functional activity of the macromolecule. In this paper we investigate the behavior of the continuous measure of chirality proposed by A.V. Luzanov, in various systems from amino acids to macromolecules in order to determine the limits of applicability of a pseudoscalar measure.

Keywords:
chirality, chirality index, symmetry, macromolecules
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References

1. Tverdislov V.A., Yakovenko L.V., Ivlieva A.A., Tverdislova I.L. Ionnaya i hiral'naya asimmetrii kak fizicheskie faktory biogeneza i ontogeneza. Vestnik Mosk. un-ta. Ser. 3: Fizika, astronomiya, 2011, № 2, s. 3-13. [Tverdislov V.A., Yakovenko L.V., Ivlieva A.A., Tverdislova I.L. Ionic and chiral asymmettries as physical factors of biogenesis and ontogenesis. Vestnik Mosk. un-ta. Ser. 3: Fizika, astronomiya, 2011, no. 2, pp. 3-13. (In Russ.)]

2. Tverdislov V.A., Yakovenko L.V., Zhavoronkov A.A. Hiral'nost' kak problema biohimicheskoy fiziki. Ros. him. zhurnal, 2007, t. 51, № 1, s. 13-23. [Tverdislov V.A., Yakovenko L.V., Zhavoronkov A.A. Chirality as a problem of biochemical physics. Ros. khim. zhurnal, 2007, vol. 51, no. 1, pp. 13-23. (In Russ.)]

3. Tverdislov V.A., Malyshko E.V., Il'chenko S.A., Zhulyabina O.A., Yakovenko L.V. Periodicheskaya sistema hiral'nyh struktur v molekulyarnoy biologii. Biofizika, 2017, t. 62, vyp. 3, s. 421-434. [Tverdislov V.A., Malyshko E.V., Il'chenko S.A., Zhulyabina O.A., Yakovenko L.V. Periodic system of chiral structures in molecular biology. Biofizika, 2017, vol. 62, iss. 3, pp. 421-434. (In Russ.)]

4. Petitjean M. Chirality and symmetry measures: a transdisciplinary review. Entropy, 2003, vol. 5, pp. 271-312.

5. Raos G. Degrees of Chirality in Helical Structures. Macromol. Theory Simul., 2002, 11, pp. 739-750.

6. Zabrodsky H., Peleg S., Avnir D. Continuous symmetry measures, IV: chirality. J. Am. Chem. Soc., 1995, vol. 117, no. 1, pp. 462-473.

7. Buda A., Heyde T., Mislow K. On Quantifying Chirality. Angew. Chem. Int. Ed, 1992, vol. 31, pp. 989-1007

8. Gilat G. Chiral coefficient-a measure of the amount of structural chirality. Journal of Physics A: General Physics, 1989, vol. 22, pp. 545-550.

9. Osipov M, Pickup B, Fehervari M, Dunmur D. Chirality measure and chiral order parameter for a two-dimensional system. Molecular Physics, 1998, vol. 94, iss. 2, pp. 283-287.

10. Luzanov A.V., Nerukh D. Simple one-electron invariants of molecular chirality. J. Math. Chem, 2007, vol. 41, no. 4, pp. 417-435.


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