Department of Molecular Biophysics

Studies on mechanisms and thermodynamics of intermolecular interactions of biopolymer components within frameworks of problems concerning hydration, molecular recognition, molecular mechanisms of action of biologically active substances

Main research trends:

Mechanisms of intermolecular interactions of biologically active compounds are studied, using the experimental method of soft ionization mass spectrometry and theoretical quantum-chemical calculations.

Main results:

• The fundamental basis and methods of the low temperature secondary emission mass spectrometric experiment were worked out for cryobiophysical and ecological studies.
• A model is proposed for processes occurring upon the fast atom bombardment of liquids, which explains physical mechanisms of sputtering of thermally unstable molecules (ions) into the gas phase without decomposition.
• Peculiarities of intermolecular interactions of biomolecules with biologically active compounds in the condensed state were studied at temperatures below 273 K. Differences in binding of alkali, alkali-earth metal ions and water with nitrogen bases in frozen water and cryoprotector solutions were revealed, and their correlations with cryodamaging and cryoprotecting effects were shown.
• In the frameworks of the protein-nucleic acid recognition, structural and energetic schemes of interactions in complexes of DNA nitrogen bases with amino acid analogs modeling the protein-nucleic recognition at the monomeric level were obtained, and a stability row has been built. A complex approach was applied, including the experimental method of temperature-dependent field ionization massspectrometry and theoretical ab initio quantum-mechanical calculations.
• Molecular mechanisms of actions of some chemotherapeutic drugs (antitumor and antimicrobial ones) were ascertained.

Scientists engaged in works within theme:

Kosevich M.V., Leading Scientist, Dr.;
Shelkovsky V.S., Senior Scientist, Candidate of Sciences;
Pashinskaya V.A., Scientist, Candidate of Sciences;
Boryak O.A. Junior Scientist;
Chagovets V.V., Junior Scientist;
Orlov V.V., Leading Engineers;
Zobnina V.G., Post Graduate Student; Stepanian S.G., Senior Scientist, Candidate of Sciences;

The first line: Pashynska V.А., Kosevich М.V.
The second line: Zobnina V.G., Chagovets V.V., Boryak О.А., Orlov V.V., Shelkovsky V.S.

Main recent publications:

Low-temperature secondary-emission mass-spectrometry

1. Kosevich M.V., Shelkovsky V.S., Boryak O.A., Orlov V.V.
2. ‘Bubble chamber model' of fast atom bombardment induced processes// Rapid. Commun. in Mass Spectrom. 2003, N 15, p. 1-1792.
3. Kosevich M.V., Shelkovsky V.S., Boryak O.A., Orlov V.V. Observation of crystallization of amorphous solid water under the conditions of secondary emission mass spectrometric experiments// Fizika Nizkih Temperatur. 2003, N 9/10, p. 1061-1064.
4. Kosevich M.V., Shelkovsky V.S., Boryak O.A., Gomory A., Vegh P.D., Vekey K. Low temperature SIMS mass spectra of diethyl ether// J. Mass Spectrom. 2003, v. 38, N5, p. 517-522.
5. Kosevich M.V., Boryak O.A., Shelkovsky V.S. Origin of clusters: IV. Low temperature fast-atom bombardment cluster patterns point to the possible existence of NaCl crystalline hydrates incorporating heavy water// Eur. J. Mass Spectrom. 2002, v. 8, N 2, p. 157 - 161.
6. Kosevich M.V., Boryak O.A., Shelkovsky V.S. Low temperature secondary-emission spectra of nitric acid trihydrate// Izvestiya Academii Nauk, Seriya Fizicheskaya. 2000, v. 64, N 8, p. 1544-1549.
7. Boryak O.A., Kosevich M.V., Shelkovsky V.S., Orlov V.V. Production of doubly charged clusters (H₂O)_n · Ba²⁺ and (H₂O) n · Ca²⁺ under low temperature fast atom bombardment conditions// Int. J. Mass Spectrom. 2000, v. 194, N 1, p. 49-52.
8. Kosevich M.V., Shelkovsky V.S. Progress of mass spectrometric technique for biomedical an example of influence of social demands on the advancement of science (in Russian)// Proc. Kharkov State Univ., v. 497, Biophysical Bulletin N 2. - 2000, p. 84-99.

Modeling of protein-nucleic recognition at monomeric level

1. Shelkovsky V.S., Stepanian S.G., Galetich I.K., Kosevich M.V., Adamowicz L. Modeling of recognition sites of nucleic acid bases and amide side chains of amino acids. Combination of experimental and theoretical approaches // European Physical Journal D. 2002, v. 20, N 3, p. 421-431.
2. Galetich I., Stepanian S.G., Shelkovsky V., Kosevich M., Adamowicz L. Mass Spectrometric and ab initio study of the interaction between 9-methylguanine and amino acid amide group// Molecular Physics. 2002, v. 100, N 23, p. 3649-3659.
3. Galetich I., Stepanian S.G., Shelkovsky V., Kosevich M., Blagoi Yu.P., Adamowicz L. Combined mass spectrometric and ab initio study of the point contacts between 9-methyladenine and the amide group// J. Phys. Chem. A. 2000, v.104, N 39, p. 8965-8971.

Molecular mechanisms of effects (action) of chemical and therapeutic (antitumor and antimicrobic) preparations

1. Pashynskaya V.A., Kosevich M.V., Gomory A., Vashchenko O.V., Lisetski L.N. Mechanistic investigation of the interaction between bisquaternary antimicrobial agents and phospholipids by liquid secondary ion mass spectrometry and differential scanning calorimetry // Rapid Communications in Mass Spectrometry. 2002, v. 16, N 18, p. 1706-1713.