1
CURRICULUM VITAE
Dr. Oleg V. Shishkin
Personal
Born: July, 29, 1966; Kharkiv region, Ukraine
Nationality: Ukrainian
Marital status: married
Home address: 35 L. Svobodi ave., app. 153, Kharkiv 61122 Ukraine
Official address: STC “Institute for Single Crystals”, National Academy of Science of Ukraine,
60 Lenina ave., Kharkiv 61001, Ukraine.
Phone/FAX: +380 (57) 341 02 73
E-mail: shishkin@xray.isc.kharkov.com
Academic degrees
Years
Degree
Field
Institution
1990
M. S.
Chemistry
Kharkiv
Title of thesis
State Molecular and crystal structure of
University, Ukraine
1994
Ph. D.
dihydroazolopyrimidines.
Organic
Kharkiv
State Molecular structure and conformational
Chemistry
University, Ukraine, analysis nitrogen-containing partially
hydrogenated rings.
2000
D. Sc.
Organic
Kharkiv
State Molecular structure and conformational
Chemistry
University, Ukraine
analysis of six-membered dihydrocycles.
Education
Years
Position
Field of study
Institution
1983-1990
Graduate student
Chemistry
Khar'kov State University, Ukraine
1990-1993
Postraduate student
Organic Chemistry
Khar'kov State University, Ukraine
2
Professional Background
Years
Position
Institution
Duties
1993-
Research
A.N.Nesmeyanov Institute of
X-ray
1994
associate
Organoelement Compounds,
investigation of molecular and crystal
diffraction
Russian Academy of Sciences, structure
Moscow, Russia
1995
of
and
various
theoretical
organic
and
organometallic compounds
Academic
The University of Nottingham, X-ray
visitor
Nottingham, UK
diffraction
and
theoretical
investigation of molecular and crystal
structure
of
various
organic
and
organometallic compounds.
1995-
Research
A.N.Nesmeyanov Institute of
X-ray
diffraction
1997
associate
Organoelement Compounds,
investigation of molecular and crystal
Russian Academy of Sciences, structure
Moscow, Russia
1997
of
and
various
theoretical
organic
and
organometallic compounds.
Senjor
Institute for Single Crystals, X-ray
reseacher
National Academy of Sciences investigation of molecular and crystal
of Ukraine, Kharkiv, Ukraine
diffraction
structure
of
and
various
theoretical
organic
and
organometallic compounds.
1997-
scientific
Institute for Single Crystals, Coordination of scientific studies within
1998
secretary
National Academy of Sciences Institute.
of Ukraine, Kharkiv, Ukraine
X-ray
diffraction
and
theoretical investigation of molecular
and crystal structure of various organic
and organometallic compounds.
1998-
Director of Department of Alkali Halide Organization
2002
Departmen Crystals, Institute for Single research
t
and
and
coordination
development
of
activity
Crystals, National Academy of within Department. X-ray diffraction
Sciences of Ukraine, Kharkiv, and
Ukraine
theoretical
investigation
of
molecular and crystal structure of
various organic and organometallic
compounds.
2002-
Deputy
Institute
for
Scintillation Organization
and
coordination
of
3
2005
Director
Materials, National Academy research
of Sciences
and
development
activity
within Institute. X-ray diffraction and
theoretical investigation of molecular
and crystal structure of various organic
and organometallic compounds.
Since
First
STC
“Institute
for
Single Organization
2005
Deputy
Crystals”, National Academy research
Director
of Sciences
and
and
coordination
development
of
activity
within Institute. X-ray diffraction and
theoretical investigation of molecular
and crystal structure of various organic
and organometallic compounds.
Since
Head
of Department
1999
Depart-
Diffraction
ment
Quantum
of
Study
Chemistry.
X-ray X-ray
diffraction
and
theoretical
and investigation of molecular and crystal
STC structure
of
various
organic
and
“Institute for Single Crystals”, organometallic compounds.
National Academy of Sciences
Research experience
The general direction of the research is the study of the molecular, crystal and electronic
structure, conformational analysis, chemical reactivity and intermolecular interactions of sixmembered carbo- and heterocycles. These investigations have been carried out for following
groups compounds and problem:
- novel partly hydrogenated carbo and heterocycles;
- conformational flexibility of six-membered rings including aromatic and partially
hydrogenated;
- electronic structure and weak intramolecular interactions;
- intermolecular interactions in the crystal phase and solution;
-
tautomerism in heterocyclic systems;
-
structure and intermolecular interactions in molecular complexes and supramolecular
systems.
Current topics of studies are following:
4
-
molecular structure, conformational dynamics and intramolecular interactions of nucleic
acid bases, nucleosides and nucleotides;
-
molecular structure and intermolecular interactions in stacked and hydrogen bonded
dimers of nucleic acid bases, nucleosides and nucleotides;
-
influence of intermolecular interactions (in particular hydration) on molecular structure
of nucleic acid bases, nucleosides and nucleotides;
-
relationship between aromaticity and conformational dynamics of six-membered
aromatic and dihydroaromatic rings;
Experimental experience
X-Ray diffraction (Siemens P3/PC, Syntex P21, Siemens SMART, CAD-4
diffractometers, Excalibur 3 with CCD detector) experimental technique (including operating
with unstable and liquid samples) and experience in the crystal structure solution and
refinement. Good experience in the application of molecular mechanics and quantum chemical
calculations (including ab initio and semi-empirical ones) to the different molecules. Experience
in calculation and analysis of normal vibrations of molecules. Experience in the crystal packing
analysis of organic molecules using atom-atom potentials method. The knowledge of Fortran
computer language and experience in programming.
Teaching experience
Experience in teaching for ten years in Khar'kov State University ("Quantum Organic
Chemistry", "Computational Methods in Organic Chemistry", "Theoretical Basis of Organic
Chemistry", “Stereochemistry and Conformational Analysis”, “Organic Crystal Chemistry”,
«Crystal Chemistry and X-ray structural analysis») and one year in the Russian Friendship
University (“X-Ray Structural Analysis”). Experience in scientific advising of graduate and
post-graduate studies.




Publications
Number of book chapters: 2
Number of papers in refereed journals: 327
Number of communications to scientific meetings: 163
Number of patents: 14
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List of selected publications
1. Shishkin
O.V.
(1995)
Conformational
flexibility
of
dihydropyrimidinone
and
tetrahydropyrimidin-2,4-dione rings in DNA bases. J.Chem.Soc. Chem. Commun. , 1539.
2. Collier P.E., Dunn S.C., Mountford P., Shishkin O.V., Swallow D. (1995) Exchange of
organoimido groups at a mononuclear titanium centre and a crystallographic evaluation of
the relative structural influence of the Nbut, N-4-C6H4Me and N-4-C6H4NO2 ligands.
J.Chem.Soc. Dalton Trans. 3743-3745.
3. Mascal M, Hext M.M, Shishkin O.V. (1996) Azatriquinane, azatriquinacene and a
remarkable dimerization product. Tetrahedron Letters, 37, 131-135.
4. D.S.Reddy, Yu.E.Ovchinnikov, O.V.Shishkin, Yu.T.Struchkov, G.R Desirajua (1996)
Supramolecular synthons in crystal engineering. Part 3. Solid state architecture and
synthon
robustness
in
some
2,3-dicyano-5,6-dihydro-1,4-dialkoxybenzenes,
J.Am.Chem.Soc., 118, 4085.
5. O.V.Shishkin (1997) Conformational flexibility of six-membered 1,4-dihydrocycles,
J.Mol.Struct., 412, 115.
6. V.N.Khrustalev, O.V.Shishkin, S.V.Lindeman, L.Yu.Ukhin, Zh.I.Orlova, T.N.Gribanova
(1998) Structure of 5-nitro-2-tosylaminobenzaldehyde di(morpholin-4-yl)-aminal complex
with carbon tetrachloride. Z.Krystallogr., 213, 296.
7. O.V.Shishkin (1998) Conformational flexibility of six-membered 1,2-dihydrocycles and
substituent electronic effects. J.Mol.Struct. 447, 217.
8. O.V.Shishkin (1998) Conformational flexibility of di- and tetrahydropyrimidine rings in
nucleic acid bases. An ab initio HF/6-31G** study. J.Mol.Struct., 447, 1.
9. O.V.Shishkin, J.Sponer, P.Hobza (1999) Intramolecular flexibility of DNA bases in
adenine-thymine and guanine-cytosine Watson-Crick base pairs. J.Mol.Struct., 477, 15.
10. O.V.Shishkin, J.Leszczynski (1999) The contribution of ring conformational flexibility
into the relative stability of isomeric cyclohexadienes. Chem.Phys.Lett., 302, 262.
11. A. Yu. Kovalevsky, M. Yu. Antipin, Z. N. Tarakhno, O. V. Shishkin (2000) Molecular
structure and substituent electronic effects in 10-arylidenanthrones-9. Z. Kristallogr., 215,
299.
12. O. V. Shishkin, L. Gorb, J. Leszczynski (2000). Does the hydrated cytosine retain the
canonical structure? A DFT study. J. Phys. Chem. B, 104, 5357.
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13. O. V. Shishkin, L. Gorb, J. Leszczynski (2000). Modelling of the first hydration shell of
uracil and thymine. Int. J. Mol. Sci., 1, 17.
14. C. O. Kappe, O. V. Shishkin, G. Uray, P. Verdino (2000). X-ray structure, conformational
analysis enetioseparation and determination of absolute configuration of the mitotic
kinesin Eg5 inhibitor monastrol. Tetrahedron, 56, 1859.
15. O. V. Shishkin, L. Gorb, P. Hobza, J. Leszczynski (2000) Structural non-rigidity of
nucleic acid bases. Post Hartree-Fock ab initio study. Int. J. Quantum Chem., 80, 1116.
16. O. V. Shishkin, A. Pelmenschikov, D. M. Hovorun, J. Leszczysnki (2000) Molecular
structure of free canonical 2’-deoxyribonucleosides: a density functional study. J. Mol.
Struct., 526, 329.
17. O.V.Shishkin, L. Gorb, J. Leszczynski (2000) Conformational flexibility of pyrimidine
ring in adenine and related compounds. Chem. Phys. Lett., 330, 603.
18. Yu. M. Volovenko, G. G. Dubinina, S. M. Yarmolyuk, S. V. Shishkina, O. V. Shishkin
(2001) Reaction of N-substituted 3,4-dichloromaleinimides with -mercaptoazaheterocycles. Heterocycles, 55, 2189.
19. S. V. Shishkina, O. V. Shishkin, J. Leszczynski (2002) Three-stage character of ring
inversion in cyclohexene. Chem. Phys. Lett., 354, 428.
20. O.V.Shishkin, O.S.Sukhanov, J.Leszczynski (2002). Interactions of water with mono- and
diamino derivatives of N,N’-dimethyluracil. J.Phys.Chem.A, 106, 7828.
21. O.Ya.Borbulevych, O.V.Shishkin, M.Yu.Antipin (2002). X-ray diffraction and ab initio
quantum –chemical study of the charge density in the crystal of Meisenheimer complexes
– derivatives of 2,4,6-trinitrobenzene and 5,7-dinitroquinoline. J.Phys.Chem.A, 106, 8109.
22. O.V.Shishkin, M.Elstner, T.Frauencheim, S.Suhai (2003). Structure of stacked dimers of
N-methylated Watson-Crick adenine-thymine base pairs. Int.J.Mol.Sci., 4, 537.
23. O.S.Sukhanov, O.V.Shishkin, L.Gorb, Y.Podolyan, J.Leszczynski (2003). Molecular
structure and hydrogen bonding in polyhydrated complexes of adenine. A DFT study.
J.Phys.Chem.B, 107, 2846.
24. O.V.Shishkin, O.S.Sukhanov, L.Gorb, J.Leszczynski (2003). The interaction of the most
stable guanine tautomers with water. Structure and properties of monohydrates.
Phys.Chem.Chem.Phys., 4, 5359.
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25. Z.V.Voitenko, T.Y.Yegorova, A.V.Kovtunenko, R.I.Zubatyuk, S.V.Shishkina, O.
V.Shishkin, M.D.Tsapko, A.V.Turov (2004). The structure of cyanine dyes of
tetrazoloisoindole row. 1. 1-bis-(1-methyl-tetrazolo[5,1-a]isoindole-5)monomethyncyanine
perchlorate. J.Mol.Struct. 707, 193.
26. O.V.Shishkin, L.Gorb, O.A.Zhikol, J.Leszczynski (2004). Conformational analysis of
canonical 2’-deoxyribonucleotides. 1. Pyrimidine nucleotides. J.Biomol.Struct.Dyn., 21,
537.
27. O. V. Shishkin, M.V.Zhigalko, L.Gorb, J.Leszczynski (2004). Out-of-plane deformability
of aromatic systems in naphthalene, antracene and phenanthrene. J.Mol.Struct., 693, 153.
28. L. Gorb, O. V. Shishkin, J. Leszczynski (2005). Charges of phosphate groups. A role in
stabilization of 2’-deoxyribonucleotides. A DFT investigation. J.Biomol.Struct.Dyn., 22,
441.
29. O.V.Shishkin, L.Gorb, O.A.Zhikol, J.Leszczynski (2005). Conformational analysis of
canonical 2’-deoxyribonucleotides. 2. Purine nucleotides. J.Biomol.Struct.Dyn., 22, 227.
30. S.A.Kotlyar, M.S.Fonari, Yu.A.Simonov, G.Bocelli, O. V. Shishkin, S.V.Shishkina,
V.V.Tkachuk, R.Ya.Grigorash, G.L.Kamalov (2005). Structure of dibenzocrown ethers
and their H-bonded adducts. 1. [1.5]Dibenzo-18-crown-6 and biphenyl-20-crown-6:
complexes with amidosulfuric acid. J.Incl.Phenomena Macrocyclic Chem., 52, 75.
31. O.A.Zhikol, O. V. Shishkin, K.A.Lyssenko, J.Leszczynski (2005). Electron density
distribution in stacked benzene dimers: a new approach toward the estimation of stacking
interaction energies. J. Chem. Phys., 122, art.no.144104.
32. O. V. Shishkin, G.V.Palamarchuk, L.Gorb, J.Leszczynski (2006) Intramolecular hydrogen
bonds
in
canonical
2’-deoxyribonucleotides.
An
Atoms
in
Molecules
study.
J.Phys.Chem.B, 110, 4413.
33. O. V. Shishkin, I.V.Omelchenko, M.V.Krasovska, R.I.Zubatyuk, L.Gorb, J.Leszczynski
(2006). Aromaticity of monosubstituted derivatives of benzene. The application of out-ofplane ring deformation energy for a quantitative description of aromaticity. J.Mol.Struct.,
791, 158.
34. N.G.Lukyanenko, A.Yu.Lyapunov, T.I.Kirichenko, R.I.Zubatyuk, O. V. Shishkin (2006).
Self-assembly of a [2]catenane incorporating a fluorenonophane-containing azobenzene
moiety. Mendeleev Commun., 143
8
35. R.I.Zubatyuk,
Yu.M.Volovenko,
O.V.Shishkin,
L.Gorb,
J.Leszczynski
(2007)
Aromaticity controlled tautomerizam and resonance-assisted hydrogen bonding in
heterocyclic enaminone-iminoenol systems. J.Org.Chem., 72, 725.
36. S.V.Shishkina, O. V. Shishkin, S.M.Desenko, J.Leszczynski (2007) Heterocyclic
analogues of cyclohexene: theoretical studies of the molecular structure and ring inversion
processes. J. Phys. Chem. A, 111, 2368.