Olga DMYTRENKO
Experienced Computational Chemist, PhD.
Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
Ph. (302) 831-0887
Fax. (302) 831-6335
E-mail: odmitr@udel.edu
3 citations by the Nobel Prize winners in:
***Theory-guided discovery of unique chemical
transformations of cyclopropenes.
Weatherhead-Kloster
R.A., Corey E.J. ORGANIC LETTERS 8 (1): 171-174, 2006
***Breaking down barriers: The liaison between
sigmatropic shifts, electrocyclic
reactions, and three-center cations. Hoffmann R., Tantillo D.J.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 42 (47): 5877-5882
2003
***Helicoid shiftamers for the transport of pi-clumps
and charges.
Tantillo D.J., Hoffmann R. HELVETICA CHIMICA ACTA 86 (11): 3525-3532 2003
Press Releases on the research work performed in
collaboration with Olga Dmitrenko
1)ÒThe Shortest Metal-Metal Bond YetÓ C&E News article (2007), November 7: http://pubs.acs.org/cen/news/85/i46/8546news5.html
3)ÒComputational Chemistry A Click AwayÓ ACCESS NCSA| Vol 20 No 1| Spring
2007, p. 27 - on our new mechanism of the oxidation
step in enzymatic cytochrome P450 hydroxylation that was suggested based upon
computational results obtained by use of GridChem access to the
NCSA cyberinfrastructure.
3)ÒCalculations Solve an Enzyme RiddleÓ C&E News article (2001), Volume 79, Number 52, p.33. – about our
studies on the chorismate synthase reaction.
PROFESSIONAL
EXPERIENCE
*2008 Computational
Chemist.
Department of Chemistry and Biochemistry,
University of Delaware Computational design of chemical
reactivity of large organic systems and transition-metal complexes.
*2006
Computational Chemist.
Department of Chemistry and Biochemistry,
University of Delaware (Prof. C.Dybowski
group) Computational simulations of 207Pb NMR parameters in
molecular and ionic solid systems.
*2005
Computational Chemist.
Department of Chemistry and Biochemistry,
University of Delaware
Computational studies on the mechanism of enzymatic reactions involving
FAD and thiol/thiolate activity.
*1998-2005 Senior
Postdoctoral Fellow.
Department of Chemistry and Biochemistry,
University of Delaware (with Prof.
R. Bach). Computational design of chemical reactivity. Structure-function
relationships in reactions of oxygen, proton, hydrogen and hydride transfer.
*1998 Visiting
scientist.
Institute of Organic
Chemistry, University of Vienna and Institute
of Physical Chemistry, University of Vienna
Experimental studies of
the external electric field effect on the provitamin D photoisomerization.
Computational design of the complex electroconductive molecular coatings.
*1997 Visiting
professor.
Department of
Chemistry, University of Nevada, Reno
*1995 Visiting
scientist.
Institute of Organic Chemistry, University of
Vienna (Prof.Dr.W.ReischlÕs group)
Molecular mechanics and semi-empirical modeling of
previtamin D A-ring analogs. Conformational analysis.
*1991 -1999
Research scientist. Institute of Surface Chemistry, Laboratory of
Surface Photonics, Kiev, Ukraine
Experimental and
computational studies on photochemistry of adsorbed molecules on SiO2
and TiO2 surfaces. Analytical modeling of branched photochemical
reactions (Prof. A.M. EremenkoÕs group).
*1986-1990
PhD student. Institute of
Surface Chemistry & Institute of Physics,
Kiev,
National Academy of Science of Ukraine (with Prof. A.M. Eremenko and Prof. I.P. Terenetskaya).
SCIENTIFIC
BACKGROUND
*** Enzyme catalysis - theoretical studies.
*** Analytical modeling of branched photchemical
reactions.
*** Experimental Surface Chemistry/Photochemistry.
*** High level ab initio (including complete active space calculations) and
DFT methods. Molecular mechanics and semi-empirics. Modeling of organic,
inorganic and biomolecular systems (geometry/conformations, reactivity, UV-VIS
and IR-spectra, NMR chemical shifts, kinetic isotope effects, charge
distribution, dipole moments, solvent effects and more).
*** Mechanistic studies on photochemical reactivity.
*** Conformational analysis.
*** Modeling of UV-VIS and IR-spectra.
*** Structure-function analysis. Immunomodulation.
Antioxidant activity.
***Role of conical intersection in determining
selectivities in singlet and triplet reactions
*** Hydrogen-bonding interactions, H-bond assisted
catalysis.
*** Relativistic spin-orbit NMR calculations for the
ionic solids: ZORA formalism.
*** Spin-state energetics and metal-metal bonding in
complex organometallic systems.
INVITED
TALKS AND PRESENTATIONS
** 1995,
Institute of Organic Chemistry, University of Vienna, Austria.
** 1997,
University of Nevada, Reno, Department of
Chemistry.
** 1997, University
of California, Riverside, Department of
Chemistry.
** 2001, University
of Delaware, Computational Chemistry and
Biochemistry Symposium.
** 2002, Univertsity
of Memphis, Department of Chemistry
** 2003, ACS
meeting. New Orleans.
** 2004, ACS
meeting. Philadelphia
** 2007, NMR of
Metals in Biological Systems and Materials International Symposium and
Workshop. Newark, DE
AWARDS/HONOURS
**** 1994-1997
****
Research Fellowship of President of Ukraine
**** 1995, 1998 ****
Fellowship of Republic of Austria Federal Ministry of Science and Research
EDUCATION
*** Ph.D. (Physical Chemistry); ISC of Ukrainian National Academy of Sciences, Kiev, Ukraine 1990.
Dissertation: "Comparative Studies of Provitamin D Photoisomerization
in Homogeneous and Heterogeneous Media." Supervisors: Prof.
A.M.Eremenko and Prof. I.P. Terenetskaya (Institute of Physics)
*** M.S. with Honours (Physics: Optical and Optoelectronic Systems); Kiev
State University, Kiev, Ukraine, 1986. Qualified as
Engineer-opticist-researcher (optics and spectroscopy). Thesis:
"Theoretical Studies on the Precision Characteristics and Construction
Requirements for Correlation Spectrometer of Zero-Type." Supervisor: Dr.
V.M. Volkov
*** Specialized Physical and Mathematical Republican
School at the Kiev State University, 1980 - with honors.
PROFESSIONAL
SERVICE AND MEMBERSHIPS
*Member of the ECCC (Electronic Computational
Chemistry Conferences) Scientific Organizing Committee http://eccc.monmouth.edu
*Co-Chair of
the ECCC11
*Co-Editor of
the ECCC9 Proceedings (a special issue of the online International Journal of
Molecular Sciences
*Member of Scientific Advisory Panel and referee for the Internet site
"Photochemistry and Photobiology" (www.photobiology.com)
* Member of Bioencapsulation Research Group 1997, 1998.
* Referee for Journal
of American Chemical Society, Journal of Physical Chemistry, Journal of Organic
Chemistry, Photochemistry and Photobiology, Journal of Raman Spectroscopy,
Phys. Chem. Lett. A., Theor. Chem. Accounts.
TEACHING
(2002, 2004) Introduction to the Computational Surface
Chemistry, UNIX and Gaussian03 (Chemistry 874)
DISSERTATION DIRECTED -
Dishke, N.V. - M.S. (Physics) 1992,
Kiev, Ukraine
Current Student supervision – 1 graduate, 2 undergraduate and 1 high school student.
COMPUTER
SKILLS AND EXPERIENCE SUMMARY
Commercial electronic structure and molecular dynamics
simulation packages (ADF, Gaussian, PCMODEL, G-MMX, QCFF, TINKER, HYPERCHEM,
ACES II, GAMESS, MOLPRO), Unix system, FORTRAN, Perl.
Graphics/visualization: RASMOL, Insight II, GNUPlot, Molecule 2, Swiss-PdbViewer,
Qmol,B&S, ChemDraw, Cricket Graph, GaussView, ADFview, iMol, Molden,
MacMolPlt, WebMO, ConQuest, Mercury.
Platforms: Unix,
Windows, MacOS
Proposals writing:
NSF, NIH and NCSA (cpu time).
PR, events organization and sponsorship involvement.
HOBBY
http://www.artabus.com/english/dmytrenko/
Dr.
Olga Dmitrenko (maiden name - Perminova)
LIST
OF PUBLICATIONS
Peer Reviewed Papers:
2007-
2008
59. Cobalt(III)
Imido Complex and itÕs Spin States
Energetics.: Computational study. Klaus H. Theopold, Olga Dmitrenko at al.
– in preparation.
58.
Comment on "In
vitro model of vitamin D3
(cholecalciferol)
synthesis by UV
radiation:
dose-response relationships" by W.J. Olds, A.R. McKinley, M.R.
Moore and
M.G. Kimlin, J. Photochem. Photobiol. B: Biol. 93 (2008) 88-93. L. O. Bjšrn, F. R. de Gruijl, M. Norval , O. Dmitrenko – submitted to J. Photochem. Photobiol. B.
57. Prediction of
207Pb NMR Parameters for the Solid Ionic Lead(II) Halides Using the
Relativistic ZORA-DFT Formalism. Comparison with the Lead-containing Molecular
Systems. O. Dmitrenko, Shi Bai, and C. Dybowski. Solid State Nuclear
Magnetic Resonance 2008,
34(3), 186-190.
56. Photokinetic
Analysis of PRODAN in Isotropic Solvents from Multivariate Fluorescence. Brad
A. Rowe, Carol A. Roach, Joanna Lin, Vincent Asiago, Olga Dmitrenko and Sharon
L. Neal. J. Phys. Chem. A. – in press
55. The Curtius
Rearrangement of Cyclopropyl- and Cyclopropenoyl Azides. A Combined Theoretical
and Experimental Mechanistic Study. Fox, J.; Bach, R.D.; Tarwade, V.;
Dmitrenko, O. J. Org. Chem. 2008, 73(21), 8189-8197
54. Triplet and
Ground State Potential Energy Surfaces of 1,4-Diphenyl-1,3- butadiene: Theory
and Experiment. J. Saltiel, O. Dmitrenko, Z. S. Pillai, R. Klima, S. Wang, J.
T. Wharton, Z.-N. Huang, B. van de Burgt
and J. Arranz . Photochemical & Photobiological Sciences,
2008, 7(5), 566-577.
53. A
Computational Analysis of the Interaction between Flavin and Thiol(ate) Groups.
Implications for Flavoenzyme Catalysis. Dmitrenko, O.;
Thorpe, C. Journal of Sulfur Chemistry, 2008,
29(3), 415-424.
52. Mechanism of
Thiolate-Disulfide Interchange Reactions in Biochemistry
Bach, R. D.; Dmitrenko, O.; Thorpe, C. J. Org. Chem.; (Featured Article); 2008; 73(1); 12-21.
51. The
Relationship between 207Pb NMR Chemical Shift and Solid-State Structure in
Pb(II) Compounds. Dmitrenko, O.; Bai, S.; Beckmann, P. A.; van Bramer, S.;
Vega, A. J.; Dybowski, C. J. Phys. Chem. A.; 2008; 112(14); 3046-3052.
50. Mechanism of
SN2 Disulfide Bond Cleavage by Phosphorus Nucleophiles. Implications for
Biochemical Disulfide Reducing Agents Dmitrenko, O.; Thorpe, C.; Bach, R. D. J.
Org. Chem.; 2007; 72(22);
8298-8307.
49. The Shortest
Metal-Metal Bond Yet: Molecular and Electronic Structure of a Dinuclear
Chromium Diazadiene Complex
Kreisel, K. A.; Yap, G. P. A.; Dmitrenko, O.; Landis, C.
R.; Theopold, K. H.
J. Am. Chem. Soc.;
(Communication); 2007; 129(46);
14162-14163.
2003-2006
48. Azide
Reactions for Controlling Clean Silicon Surface Chemistry: Benzylazide on
Si(100)-2 x 1. Bocharov, S.; Dmitrenko, O.; Mendez De Leo, L.P.; Teplyakov,
A.V. J. Am. Chem. Soc.; (Communication); 2006; 128(29); 9300-9301.
47. The Effect of
Carbonyl Substitution on the Strain Energy of Small Ring Compounds and Their
Six-Member Ring Reference Compounds. Bach, R. D.; Dmitrenko, O. J. Am. Chem.
Soc.; 2006; 128(14);
4598-4611.
46. The
"Somersault" Mechanism for the P-450 Hydroxylation of Hydrocarbons.
The Intervention of Transient Inverted Metastable Hydroperoxides. Bach, R. D.;
Dmitrenko, O. J. Am. Chem. Soc.; 2006; 128(5); 1474-1488.
45. Chemical
Behavior of the Biradicaloid (HOÉONO) Singlet States of Peroxynitrous Acid. The
Oxidation of Hydrocarbons, Sulfides and Selenides. Bach,R.D.; Dmitrenko,
O.; EstŽvez, C. M. J. Am. Chem. Soc. 2005, 127(9), 3140-3155.
44.
Resolution of Three Fluorescence Components in the Spectra of
All-trans-1,6-diphenyl-1,3,5-hexatriene under Isopolarizability Conditions.
A. M. Turek, G. Krishnamoorthy, D. F. Sears, Jr., I. Garcia, O. Dmitrenko
and J. Saltiel J. Phys. Chem. A. 2005, 109(2), 293-303.
43. Computational
Studies of Nucleophilic Substitution at Carbonyl Carbon: the SN2 Mechanism
versus the Tetrahedral Intermediate in Organic Synthesis. Fox, J.M.; Dmitrenko,
O.; Liao, L.; Bach, R.D. J. Org. Chem. 2004; 69(21); 7317-7328
42. A
Reactivity/Affinity Switch for Parallel Kinetic Resolution:a-Amino
Acid Quasienantiomers and the Resolution of Cyclopropene Carboxylic Acids. Liao,
L.; Zhang, F.; Dmitrenko, O.; Bach, R. D.; Fox, J. M.; J. Am. Chem. Soc.; (Communication);2004;126(14);4490-4491.
41. Reassessment
of the Level of Theory Required for the Epoxidation of Ethylene with
Dioxiranes. Dmitrenko, O.; Bach, R. D.; J. Phys. Chem. A.; 2004; 108(33); 6886-6892.
40. TD-DFT
Computational Insight into the Origin of Wavelength-Dependent E/Z
Photoisomerization of Urocanic Acid. Dmitrenko, O.; Reischl, W.; Bach, R. D.;
Spanget-Larsen, J.; J. Phys. Chem. A.; 2004; 108(26); 5662-5669.
39. Strain Energy
of Small Ring Hydrocarbons. Influence of C-H Bond Dissociation Energies.
Bach, R. D.; Dmitrenko, O.; J. Am. Chem. Soc.; 2004; 126(13); 4444-4452.
38. Model Studies
on p-Hydroxybenzoate Hydroxylase. The Catalytic Role of Arg-214 and Tyr-201 in
the Hydroxylation Step Bach, R. D.; Dmitrenko, O.; J. Am. Chem. Soc.; 2004; 126(1); 127-142.
37. Editorial:
Proceedings of the 9th Electronic Computational Chemistry
Conference. Robert Q. Topper and Olga Dmitrenko Int. J. Mol. Sci. 2004, 5, 35-36.
36. Theoretical
Analysis of Peroxynitrous Acid: Characterization of Its Elusive Biradicaloid
(HOáááONO) Singlet States Bach, R. D.; Dmitrenko, O.; Estevez, C. M.; J. Am.
Chem. Soc.; (Communication);
2003; 125(52);
16204-16205.
35. Biindanylidenes:
Role of Central Bond Torsion in Nonvertical Triplet Excitation Transfer to the
Stilbenes. Jack Saltiel, Jonathan E. Mace, Lucas P. Watkins, David A. Gormin,
R. J. Clark and Olga Dmitrenko. J.Am.Chem.Soc (Communication)
2003, 125(52), 16158-16159.
34. Effect of a Charge-Transfer
Interaction on the Catalytic Activity of Acyl-CoA Dehydrogenase: A Theoretical
Study of the Role of Oxidized Flavin. Dmitrenko, O.; Thorpe, C.; Bach, R. D.; J.
Phys. Chem. B. ; 2003;
107(47); 13229-13236.
33. Spiro versus
Planar Transition Structures in the Epoxidation of Simple Alkenes. A
Reassessment of the Level of Theory Required. Bach, R. D.; Dmitrenko, O.;
J. Phys. Chem. A.; 2003; 107(21);
4300-4306.
32. Relative
Reactivity of Peracids versus Dioxiranes (DMDO and TFDO) in the Epoxidation of
Alkenes. A Combined Experimental and Theoretical Analysis. Bach, R. D.;
Dmitrenko, O.; Adam, W.; Schambony, S.; J. Am. Chem. Soc.; 2003; 125(4); 924-934.
31. Effect of
Cations in Infrared and Computational Analysis of Vanadium-Containing
Six-Coordinate Oxotungstates. Dmitrenko, O.; Huang, W.; Polenova, T. E.;
Francesconi, L. C.; Wingrave, J. A.; Teplyakov, A. V. J. Phys. Chem. B.
2003,107(31), 7747-7752.
30. Computational
Insight into the Effect of C(19) Substituents on [1,7]-Hydrogen Shift in Previtamin
D. O. Dmitrenko, W. Reischl, R. Sicinski, R.D. Bach Theor.Chem.Acc. 2003, 109 (4),
170-175.
29. Electronic
Requirements for Oxygen Atom Transfer from Alkyl Hydroperoxides. Model Studies
on Multisubstrate Flavin-Containing Monooxygenases Bach, R. D.;
Dmitrenko, O.; J. Phys. Chem. B. ; 2003; 107(46); 12851-12861.
1998-2002
28. The Effect of
Substitutents on the Strain Energies of Small Ring Compounds, Bach, R. D.;
Dmitrenko, O. J. Org. Chem. 2002, 67(8), 2588-2599.
27. C-HáááCarboxylate
Oxygen Hydrogen Bonding in Substrate Activation by the Acyl-CoA Dehydrogenases:
Synergy between the H-bonds, R.D.Bach, C.Thorpe, O.Dmitrenko, J.Phys.Chem.B.
2002, 106, 4325-4335.
26. The
Effect of Geminal Substitution on the Strain Energy of Dioxiranes. The Origin
of the Low Ring Strain of Dimethyldioxirane. R.D. Bach, O. Dmitrenko J. Org.
Chem. 2002, 67(11),
3884-3896.
25. Neutral
versus Charged Species in Enzymatic Catalysis Classical and Free Energy
Barriers for Oxygen Atom Transfer from C4a-hydroperoxyflavin to Dimethyl
Sulfide. C. Canepa, O. Dmitrenko, R. D. Bach J.Org.Chem
2002, 67,
8653-8661.
24. Previtamin D
conformations and the wavelength-dependent photoconversions of previtamin D,
O.Dmitrenko, J. H. Frederick, W. Reischl. J.Photochem. Photobiol. A:
Chem 139 (2001) 125-131
23. The Triplet
Potential Energy Surface of s-trans-2,4-Hexadiene. A Comparison of Theory
and Experiment, J. Saltiel, O. Dmitrenko, W. Reischl, R.D. Bach J.Phys.Chem,
A105 (2001) 3934-3939.
22. A Theoretical
Study of the Effect of a Tetraalkylammonium Counterion on the Hydrogen Bond
Strength in Z-Hydrogen Maleate, R. D. Bach, O. Dmitrenko, M. N.
Glukhovtsev, J. Am. Chem. Soc. 2001, 123(29), 7134-7145
21. A Theoretical
Study of the Chorismate Synthase Reaction, O. Dmitrenko, H. B. Wood, Jr., R. D.
Bach, and B. Ganem Organic Letters 2001, 3(26), 4137-4140.
20. Ab Initio
Calculations on Previtamin D, Vitamin D and their Simplest Models, Dmitrenko,
O., Frederick, J.H., Reischl W. J.Mol.Struc.(Theochem), 530 (2000) 85-96
19. A
Computational Study Of The Hydroxyl-Group Directivity In The Peroxyformic Acid
Epoxidation Of The Chiral Allylic Alcohol (Z)-3-Methyl-3-Penten-2-ol: Control
Of Threo Diastereoselectivity Through Allylic Strain And Hydrogen Bonding,
Adam, W.; Bach, R.D.; Dmitrenko, O.; Saha-Moeller C.R., J.OrgChem
65(20) (2000) 6715-6728.
18. Reactivity of
Alkyl versus Silyl Peroxides. The Consequences of 1, 2-Silicon Bridging
on the Epoxidation of Alkenes with Silyl Hydroperoxides and
Bis(trialkylsilyl)peroxides, C.M. Estevez, O.Dmitrenko, J.E.Winter, R.D.Bach J.OrgChem
65 (2000) 8629-8639
17. Modeling of
Previtamin D Conformational Equilibrium: Effect of Intramolecular Electrostatic
Interactions, Dmitrenko, O., Reischl W., J.Mol Struc. (Theochem),
431 (1998) 229-236
16. Theoretical
Studies of the First Strongly Allowed Singlet States of 3-Desoxy Analogs of
Previtamin D, Vitamin D and Their E-Isomers, Dmitrenko, O., Vivian, J.T.,
Reischl, W., Frederick, J.H., J.Mol.Struc.(Theochem), 467 (1999) 195-210
15. Ground
and Ecxited States Properties of Previtamin D Conformers, Dmitrenko,
O.,Reischl, W., Vivian, J.T., Frederick, J.H., Refered publication #C5(contributed
paper in Proceedings of the First Internet Conference on Photochemistry
and Photobiology
Nov 17 -Dec 19 1997) at Internet
site:www.photobiology.com/v1/contrib.htm or
www.photobiology.com/v1/dmitrenko/dmitrenko.htm, 1998 http://www.photobiology.com/v1/dmitrenko/dmitrenko.htm;
14. Previtamin D Photosynthesis
In Vitro, Dmitrenko, O., Reischl, W., Internet Photochem. Photobiol. (1998) http://www.photobiology.com/reviews/previtamin/index.html
Journal; General Review; Online Computer File written in English.
1989-1997
13. Molecular Mechanics-Based Conformational Analysis of Previtamin D and
its A-ring Analogues, Dmitrenko, O., Reischl, W., Monat. f. Chem.
127 (1996)
445-453
12. Model Analysis of Branching Photoreactions with Conformationally
Flexible Intermediate, Dmitrenko, O.G., Serikov, A.A, Terenetskaya, I.P., J.Photochem.
Photobiol., A: Chem. 96 (1996) 7-12
11. Features of Vitamin D3 Interaction with Aerosil Surface,
Dmitrenko, O.G., Telbiz, G.M., Terenetskaya, I.P., Ukr. Biokhim. Zhurn.
1 (1997) 103-107
10. Ground-State Conformational Equilibrium of Previtamin D and its
E-Isomer: Effect on the Absorption Characteristics, Dmitrenko, O., Reischl, W.,
Res. Chem. Intermed. 23 (1997) 691-702
9. Stability and Thermoconversion of Vitamin D3 on Aerosil
Surface, Dmitrenko, O.G., Telbiz, G.M., Kikteva, T.A., Eremenko, A.M., Chuiko
A.A., Proc. Indian Acad. Sci.: Chemical Sciences 109 (5) (1997) 333-338
8. Solvent Effect on Previtamin D Conformational Equilibrium and its
Photoreactions, Dmitrenko, O.G., Terenetskaya, I.P., Reischl, W.,J.
Photochem. Photobiol., A:Chem. 104 (1997) 113-117
7. Effect of
Environment on the Conformational Equilibrium and Photoconversions of
Previtamin D, Terenetskaya, I.P., Perminova, O.G., Yeremenko, A.M., J.Mol.Structure
267 (1992) 93-98
6. Theoretical
Basis for the Possibility of the Conformational Control of the Products of
Provitamin D Photochemical Conversion, Dmitrenko, O.G., Terenetskaya, I.P. ,Teoret.
i Exper. Khim. 29(4)
(1993) 326-332
5. Features of
Vitamin D Thermoconversions on Dispersive SiO2 Surfaces, Dmitrenko,
O.G., Terenetskaya, I.P., Lopuhovich, N.Yu., Ogenko, V.M., Zhurn.Phiz.Khim.
68(2) (1994) 2285-2286
4. Conformational
Control in Previtamin D Photosynthesis by Heterogeneous Media, Terenetskaya,
I.P., Dmitrenko, O.G., Eremenko, A.M., Res. Chem. Intermed. 21(6)
(1995) 653-664
3. Triplet-triplet
Energy Transfer in Sensitized cis-trans Isomerization of
Previtamin D, Tatikolov, A.S., Dmitrenko, O.G., Terenetskaya, I.P., Chem.
Phys. Reports 14(4) (1995)
461-466
2. Investigation
of Provitamin D Photoisomerization in the Adsorbed State, Perminova,
O.G., Terenetskaya, I.P., Eremenko, A.M., Chuiko, A.A. Manuscript, dep. in
All-Union ISTI, 14.08.1989,
No. 5459-B89 (in Russian)
1. Photoisomerization
of Provitamin D in Dispersive Systems, Terenetskaya, I.P., Perminova, O.G.,
Yeremenko, A.M. J.Mol.Structure 219 (1990) 359-364
inventions:
Control Method of Time-Coherence Degree of Irradiation,
Volkov, V.M., and Perminova, O.G. - patent (USSR) 1987 No. 1385764 - in Russian
Conference
papers:
1. Modelling
of previtamin D Photosynthesis in View of its Conformational Flexibility,
Dmitrenko, O.G., Terenetskaya, I.P., in VITAMIN D. Proc.of the IX
Workshop, 1994, Edited by
A.W.Norman, R.Bouillon and M.Thomasset, p.89-90.
2. Thermal
Conversion of Vitamin D3 Incorporated into Silica Gel Porous System, Dmitrenko,
O.G., Terenetskaya, I.P., Eremenko, A.M., Chuiko,A.A., Proceedings of the
International Workshop on Bioencapsulation V, Potsdam, Germany, September
1996, P7, 4 p.
3. Conformational
Equilibria of Previtamin D and its 10-desmethyl analogs. Molecular Modeling,
Dmitrenko, O.G. and Reischl, W., In: Vitamin D Proc. of the X Workshop,
France, 1997, Eds.:
A.W.Norman, R.Bouillon and M.Thomasset, p.69-70.
4. Conformational
Flexibility in Previtamin D Molecule: Heterogeneous Media-Induced Effects,
Dmitrenko, O.,In: Spectroscopy of Biological Molecules: Modern Trands; Eds.:
P.Carmona, R.Navarro and A.Hernanz, Kluwer Acad. Publishers, Dordrecht,
1997, p.617-618.
5. Density
Functional Studies on a [1,7]-H Shift in the Thermal Isomerization of
Previtamin D, O. Dmitrenko , R. D. Bach and W. Reischl, in
VITAMIN D. Proc.of the XI Workshop, Nashville,TN, 2000, Edited by A.W.Norman, R.Bouillon and
M.Thomasset.
6. Does Hula-Twist
Contribute to Z/E Isomerization in Solvents? Brief Notes on the Hula-Twist
Mechanism. Olga Dmitrenko and Wolfgang Reischl . Third Internet
Conference on Photochemistry and Photobiology. November 24-Dec 24 2000
http://www.photobiology.com/photobiology2000/index.htm
7.Theoretical Insight On The Urocanic Acid E/Z Photoisomerization
Wavelengths Dependence. Olga Dmitrenko and Wolfgang Reischl, Third
Internet Conference on Photochemistry and Photobiology. November 24-Dec 24 2000 http://www.photobiology.com/photobiology2000/index.htm
8. Synergy Between H-Bonding Interactions and Its Role in the
Enzyme-Catalyzed alpha-Proton Abstraction. DFT Studies On the Acyl-CoA
Dehydrogenase Model Systems. Robert D. Bach, Colin Thorpe and Olga Dmitrenko. #
9, 2002 - The 8th Electronic Computational Chemistry Conference (ECCC8), http://eccc8.cooper.edu/
9. Effect of C(19)-substituents on previtamin D - vitamin D thermal
interconversion. A comparison of theory and experiment. Olga Dmitrenko, Robert
D. Bach, Rafal R. Sicinski and Wolfgang Reischl. # 32 , 2002 - The 8th Electronic
Computational Chemistry Conference (ECCC8), http://eccc8.cooper.edu/
10. Modeling of the Charge-Transfer Complexes Related to the
Catalytic Activity of Acyl-CoA-Dehydrogenase. Robert D. Bach, Colin
Thorpe and Olga Dmitrenko # 6 2003 -The 9th Electronic Computational Chemistry
Conference (ECCC9), http://eccc9.cooper.edu/
Conference contributions
1. Study of Provitamin D Photoisomerization in
Various Media by Method of UV-spectroscopy, Perminova, O.G., Terenetskaya, I.P.
and Eremenko, A.M. Abstr.XX All-Union Congress on Spectroscopy, USSR, Kiev,1988, Part I, P.463.
2. Comparative Investigation of Ergosterol Photoisomerization
in Solutions and Heterogeneous Systems, Perminova, O.G., Terenetskaya, I.P.,
Eremenko, A.M. , Abstr. VI All-Union USSR Conference on Photochemistry,
USSR, Novosibirsk, 1989,
P.291.
3. Photoisomerization of Provitamin D in Dispersive
Systems,Terenetskaya I.P., Perminova, O.G., Eremenko, A.M., Abstr. XIX
EUCMOS, Dresden, GDR, 1989,
P.246.
4. The Role of Previtamin Conformations on the Course
of Provitamin D Photoisomerization, Terenetskaya I.P., Perminova, O.G., Abstr.VI
International Conference on energy and electron transfer, Prague, Czech, 1989, B3-07.
5. Photoisomerization of Provitamin D in Solutions
and Heterogeneous Media, Terenetskaya I.P. and Perminova O.G. , Abstr. III
Congress of ESP, Budapest, Hungary, 1989,
P.239.
6. Laser-induced Photoisomerization of
provitamin D in solutions and heterogeneous media, Gundorov, S.I., Perminova,
O.G., Terenetskaya, I.P. Abstr. Inter. Conference "Lasers and
Medicine", Tashkent, USSR, 1989,
Part I, P.44-45.
7. Photochemistry of Ergosterol Adsorbed on Silica
Gel Surface. Laser and Lamp Irradiation, Perminova, O.G., Terenetskaya, I.P.,
Eremenko, A.M. Abstr. VII All-Union Co-ordinative Conference on
Photochemistry of Laser Media, Lutsk, USSR,
1990, P.71-72.
8. Comparative Study of Provitamin D Photoisomerization
Kinetics in Solutions and Heterogeneous Media, Terenetskaya, I.P., Perminova,
O.G. Abstr.XIII IUPAC Symposium on Photochemistry, London, UK, 1990, P.131.
9. Photoisomerization of Provitamin D in Micellar
Media, Terenetskaya, I.P., Perminova, O.G., Eremenko, A.M. Abstr. XV
International Conference on Photochemistry,
Paris France, 1991,
P.28.
10. Photonics of Bioactive Compounds in Heterogeneous
Media, Eremenko, A.M., Yakimova, O.I., Perminova, O.G., Ulberg, Z., Chuiko,A.A.
Abstr. XI International Congress
on Photobiology, Kyoto, Japan, 1992,
P.222.
11. Study of the Luminescence Decays of Rhodamine 6G
on SiO2 and TiO2 Surfaces, Perminova, O.G., Dishke, N.V., Eremenko, A.A. Abstr.
of International Conference of CIS (former USSR) on Photochemistry, Kiev,
Ukraine, 1992, P.83.
12. Photobehaviour of Surface-Active Provitamin D in
Self-Organized Systems, Perminova, O.G., Terenetskaya, I.P., Eremenko,
A.M., Abstr. XXI EUCMOS, Vienna, Austria, 1992, P.148.
13. Provitamin D Photoisomerization under Restricted
Conformatinal Flexibility, Perminova, O.G., Terenetskaya, I.P., Eremenko, A.M. Abstr.
XXI EUCMOS, Vienna, Austria, 1992,
P.147 .
14. Measurements of the Luminescence Decays of
Rhodamine 6G on Dispersive Solid Supports, Perminova, O.G., Dishke, N.V., Eremenko,
A.A., Abstr.II International Conference "Solar energy storage and
applied photochemistry",Cairo, Egypt, 1993.
15. Adsorption and Photostability of Atropine and
Pilocarpine in Gelatinous Lenses Filled by Aerosil, Eremenko, A.M., Dmitrenko,
O.G., ULberg, Z.R., Kokosha, N.V., Ogenko, V.M., Abstr. Conference of CIS on
Colloid Chemistry and Phys.-Chem.Mechanics of natural dispersive systems,
Odessa, Ukraine, 1993, P.9.
16. Theoretical Evaluation on the Conformational
Effect in Previtamin D Photosynthesis, Dmitrenko, O.G., Terenetskaya, I.P., Abstr.of
X Inter.l Conference on Photochem.l Conversion and Storage ofSolar Energy, July 1994, Interlaken, Switzerland p.301-302
17. Triplet Energy Transfer in Sensitized cis-trans
Isomerization of Previtamin D, Dmitrenko, O.G., Tatikolov, A.S., Terenetskaya,
I.P. Abstr.of X International Conference on Photochemical Conversion and
Storage of Solar Energy, July 1994,
Interlaken, Switzerland, p.303-304.
18. UV Spectroscopy of Bioactive Compounds in
Heterogeneous Media, Eremenko, A.M., Luxutova, O.I., Dmitrenko, O.G., Abst.
of Pittcon'96 (Pittsburg Conference on Analytical Chemistry and Applied
Spectroscopy), 1996,
Chicago, USA, 558P .
19. Features of Previtamin D Complex Formation with
Silica Gel Surface and its Photochemical Conversion, Dmitrenko, O.G.,
Terenetskaya, I.P., Abstr. of XVI Symposium on Photochemistry, Helsinki,
Finland, 1996, P.185-186.
20. Vibrational Spectroscopy of the Adsorption
Complexes of Photoactive Biocompounds with Silica Surface, Dmitrenko, O.G.,
Telbiz, G.M., Eremenko, A.M., Abstr. XXIII EUCMOS, 25-30 August 1996, Balatonfuered, Hungary, P.352
21. Stability Of Vitamin D In Aerosil Tablettes,
Dmitrenko, O., Abstr.Bioencapsulation VII
and 1998 Mini-Symposium
on microencapsulation, Easton,
MD,USA.
22. Previtamin D Photosynthesis: Theoretical Studies
And Molecular Modeling, O. Dmitrenko,W. Reischl, Abstr.Inter.Conf.Photochemistry (ICP99), Durham,NC, 1999 . PS-102
23. Previtamin D Conformations And Estimation On
Their Role In The Wavelength Dependence Of Previtamin D Photosynthesis In
Vitro, O. Dmitrenko, J.H. Frederick, W. Reischl, - poster contribution to
Second Internet Conference on Photochemistry and Photobiology. July 16-Sept 7 1999,
http://www.photobiology.com/photobiology99/contrib/olga/index.htm;
24. Theoretical Studies And Molecular Modeling Of
Previtamin D Photosynthesis, Olga Dmitrenko, John H. Frederick and Wolfgang
Reischl, 18th Conferece on isoprenoids, 10-16 September 1999, Prachatice,
Czech, PS-38 published - Chem.Listy,Symposia 1999, 93, 50.
25. Density Function Study Of Previtamin D: Modeling
Of Its Photosynthesis And UV Spectral Characteristics, Olga Dmitrenko,Wolfgang
Reischl, First Inter.Conference on chemistry and biology of vitamin D
analogs in honor of A.W.Norman, September
26-28, 1999, Providence, Rhode Island, USA, P-2.
26. Density Functional Studies On [1,7]-H Shift In
The Thermal Isomerization Previtamin D — Vitamin D, O. Dmitrenko, R. D.
Bach and W. Reischl, XI Workshop on Vitamin D, May 27 - June 1, 2000, Nashville, TN,USA.
27. Spiro versus Planar Transition Structures in the
Epoxidation of Simple Alkenes. A Reassessment of the Level of Theory
Required. Robert D. Bach and Olga Dmitrenko March 2003, ACS meeting. New Orleans, LA.
28. TD DFT computational isight on the origin of
wavelengths-dependent E/Z photoisomerization of urocanic acid. Olga Dmitrenko,
Wolfgang Reischl and Robert D. Bach. Gordon Conference on Photochemistry, Mount
Holyoke College, S. Hadley, NH July 20-24, 2003.
29. Hydride transfer in acyl-CoA dehydrogenases model
systems: Computational assessment on the effect of H-bonding between FAD and
the THR136 and THR168 functional residues. Olga Dmitrenko and Robert D. Bach.
The 228th ACS National Meeting, Philadelphia, PA, August 22-26, 2004.
30. Effect of C(19) Substituents on Previtamin D/Vitamin D
themal interconversion. O. Dmitrenko, R.D. Bach, R. Sicinski, W. Reischl.
Cancer Chemoprevention&Cancer Treatment: Is There a Role for Vitamin D, 1a.25(OH)2-vitamin
D, or New Analogs (Deltanoids)? NIH, Bethesda, Maryland USA, November 17-19, 2004
31. 207Pb Chemical Shielding in PbMoO4 and PbCl2: Effects of Temperature and Lattice Expansion. C. Dybowski, S. Bai, S. van Bramer, P. Beckmann, and O. Dmitrenko. 48th Experimental NMR Conference. Daytone Beach, Fl, April 22-27, 2007 (presented by Cecil Dybowski).
32. Density Functional Theory Calculations of 207Pb NMR Parameters for Lead-based Ionic Solids. C. Dybowski, O. Dmitrenko, A. J. Vega. NMR of Metals in Biological Systems and Materials International Symposium and Workshop. Newark, DE. June 8-10, 2007 (presented by Olga Dmitrenko).