Olga DMYTRENKO

Olga DMYTRENKO (Dmitrenko in publications)

Experienced Computational Chemist, PhD.

Department of Chemistry and Biochemistry

University of Delaware

Newark, DE 19716

Ph. (302) 831-0887

Fax. (302) 831-6335

AWARDS/HONOURS

Research Fellowship of President of Ukraine

Fellowship of Republic of Austria Federal Ministry of Science and Research

****3 citations by the Nobel Prize winners in:

(1)Theory-guided discovery of unique chemical transformations of cyclopropenes.

Weatherhead-Kloster R.A., Corey E.J. ORGANIC LETTERS 8 (1): 171-174, 2006

(2) 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

(3)Helicoid shiftamers for the transport of pi-clumps and charges. Tantillo D.J., Hoffmann R. HELVETICA CHIMICA ACTA 86 (11): 3525-3532 2003

PROFESSIONAL SERVICE AND MEMBERSHIPS

* Owner of Computational Chemistry group on Linkedin.com

*Co-Chair of the ECCC11, Co-Editor of the ECCC9 Proceedings (a special issue of the online International Journal of Molecular Sciences, and Member of the ECCC (Electronic Computational Chemistry Conferences) Scientific Organizing Committee.

*Member of Scientific Advisory Panel and referee for the Internet site "Photochemistry and Photobiology" (www.photobiology.com)

* 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, Journal of Computational Chemistry.

PROFESSIONAL EXPERIENCE

Computational Chemist – S-contracts.

Department of Chemical Engineering, Department of Civil &Environmental Engineering and Department of Chemistry& Biochemistry, University of Delaware COSMO Solvation models: theoretical studies; Calculations of free energy of adsorption on quartz surface. Computational design of chemical reactivity of large organic systems and Rh- or Co-based catalysts. Simulations on The Diels-Alder reaction of modified E-cyclooctenes with 1,2,4,5-tetrazine. Conformational analysis of cyclooctene in the ground and lowest triplet state.

Computational Chemist – S-contract.

Department of Chemical Engineering, University of Delaware Computational simulations of ²⁹Si and ²⁷Al NMR parameters in zeolites.

Computational Chemist – research associate.

Department of Chemistry and Biochemistry, University of Delaware

Studies on molecular and electronic structure of dinuclear chromium diazadiene complexes. Mechanistic studies of SN2 disulfide bond cleavage by phosphorus nucleophiles and of thiolate−disulfide interchange reactions.

Computational studies of transient inverted metastable iron hydroperoxides in Fenton Chemistry (A nonenzymatic model for cytochrome P450 hydroxylation).

Computational Chemist – research associate.

Department of Chemistry and Biochemistry, University of Delaware Computational simulations of ²⁰⁷Pb NMR parameters in molecular and ionic solid systems.

Computational Chemist – research associate.

Department of Chemistry and Biochemistry, University of Delaware Computational studies on the mechanism of enzymatic reactions involving FAD and thiol/thiolate activity, and on the mechanism of thiolate-disulfide interchange. DFT studies on the “somersault” mechanism for the P-450 hydroxylation of hydrocarbons.

Postdoctoral Fellow.

Department of Chemistry and Biochemistry, University of Delaware Computational studies on proton, hydrogen and hydride transfer involved into chemical and biochemical reactions (enzymatic catalyses, epoxidations, oxidations, isomerizations). Studies on electronic requirements for oxygen atom transfer from alkyl hydroperoxides. Model studies on sultisubstrate flavin-containing monooxygenases Theoretical estimations on strain energy of small ring compounds. TD-DFT computational insight into the origin of wavelength-dependent E/Z photoisomerization of Urocanic Acid.

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.

Visiting Professor.

Department of Chemistry, University of Nevada, Reno

Theoretical studies of the first strongly allowed singlet states of previtamin D, Vitamin D and their E-isomers.

Visiting Scientist.

Institute of Organic Chemistry, University of Vienna

Molecular mechanics and semi-empirical modeling of previtamin D A-ring analogs. Conformational analysis.

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.

EDUCATION

*** Ph.D. (Physical Chemistry); ISC of Ukrainian National Academy of Sciences, Kiev, Ukraine. 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. 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, - with honors.

TEACHING

Introduction to the Computational Surface Chemistry, UNIX and Gaussian03 (Chemistry 874)

COMPUTER SKILLS AND EXPERIENCE SUMMARY

Commercial electronic structure and molecular dynamics simulation packages (ADF, Gaussian, MOLPRO, ACES II, GAMESS, NWChem, PCMODEL, G-MMX, QCFF, TINKER, HYPERCHEM, CheckDen, MOE, Chimera, Avogadro).

Graphics/visualization: RASMOL, Insight II, GNUPlot, MatLab, Molecule 2, Swiss-PdbViewer, Qmol, B&S, ChemDraw, Cricket Graph, GaussView, ADFview, iMol, Molden, CrystalMaker, MacMolPlt, WebMO, ConQuest, Mercury, CrystalMaker. GridChem.

Press Releases:

1)“The Shortest Metal-Metal Bond Yet” C&E News article (2007), November 7: http://pubs.acs.org/cen/news/85/i46/8546news5.html

Dichromium complex sporting a quintuple Cr_Cr bond sets a new record at 1.8028 Å.

By Stephen K. Ritter on our JACS communication http://pubs.acs.org/doi/abs/10.1021/ja076356t

2)“Computational Chemistry A Click Away” ACCESS NCSA| Vol 20 No 1| Spring 2007, p. 27. http://access.ncsa.illinois.edu/Stories/5inFocus/spring07.html

“…By using GridChem and the computing resources of the CCG, Robert Bach and Olga Dmitrenko, researchers at the University of Delaware, were able to complete a series of model theoretical calculations that suggests a new mechanism for the oxidation step in enzymatic cytochrome P450 hydroxylation of saturated hydrocarbons…”

3)“Calculations Solve an Enzyme Riddle” C&E News article (2001), Volume 79, Number 52, p.33.

Density functional theory calculations shed light on the mechanism of chorismate synthase. http://pubs.acs.org/cen/science/science2001.html

PUBLICATION LIST

Peer Reviewed Papers [Olga Dmitrenko (maiden name - Perminova)]:

2010

66. Solid-State NMR and Density Functional Theory Studies of Ionization States of Thiamin. Paramasivam, Sivakumar; Dmitrenko, Olga; Godert, Amy; Begley, Tadhg; Jordan, Frank; Polenova, Tatyana; Balakrishnan, Anand J. Phys. Chem. B. J. Phys. Chem. B, Articles ASAP (Publication Date (Web): December 22, 2010

65. Solid-State ²⁰⁷Pb Nuclear Magnetic Resonance Studies of Adducts of 1,10-Phenanthroline with Lead(II) Halidesd. Alicia Glatfelter, Shi Bai, Olga Dmitrenko, Dale L. Perry, Scott E. Van Bramer, and Cecil Dybowski – accepted to the Canadian Journal of Chemistry.

64. Rhodium(II)-Catalyzed Enantioselective C−H Functionalization of Indoles

Andrew DeAngelis, Valerie W. Shurtleff, Olga Dmitrenko, and Joseph M. Fox – J. Am. Chem. Soc., (Communication) – in press

63. Temperature Dependence of the 1,6-Diphenyl-1,3,5-hexatriene Triplet Lifetime in Solution and Theoretical Evaluation of Triplet Conformer Interconversion. Jack Saltiel, Rodney Klima, L. J. van de Burgt, Shujun Wang, and Olga Dmitrenko. J. Phys. Chem. B, 2010, 114(5), 14480-14486.

62. Transient Inverted Metastable Iron Hydroperoxides in Fenton Chemistry. A Nonenzymatic Model for Cytochrome P450 Hydroxylation. R.D. Bach, O. Dmitrenko J. Org. Chem., 2010, 2010, 75 (11), 3705–3714.

61. ¹⁵N and ¹³C NMR Chemical Shifts of 6-(Fluoro, Chloro, Bromo, and Iodo)purine 2’-Deoxynucleosides: Measurements and Calculations. Shi Bai, Olga Dmitrenko, Cecil Dybowski Magn. Reson. Chem. 2010, 48, 61 – 67.

2007-2009

60. The Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters. A. DeAngelis, O. Dmitrenko, G. P. A. Yap, J. M. Fox J. Am. Chem. Soc., (Communication); 2009, 131 (21), 7230–7231

59. Revisiting HgCl₂: A Solution- and Solid-State ¹⁹⁹Hg NMR and ZORA-DFT Computational Study. R. E. Taylor, C. T. Carver, R. E. Larsen, S. Bai, O. Dmitrenko, C. Dybowski –J. Mol.Structure, 2009, 930, 99–109.

58. L.O. Bjoörn, F.R. de Gruijl, M. Norval, O. Dmitrenko, 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, J. Photochem. Photobiol. B: Biol. 95 (2009) 138-139.

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, 2008, 112 (51), 13402–13412

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 (HO…ONO) Singlet States of Peroxynitrous Acid. The Oxidation of Hydrocarbons, Sulfides and Selenides. Bach, R.D.; Dmitrenko, O.; Estévez, 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 (HO···ONO) 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-H···Carboxylate 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. Org. Chem 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 review.

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, 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, , Prachatice, Czech, 1999, 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 ó 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. ²⁰⁷PbChemical Shielding in PbMoO₄ and PbCl₂: Effects of Temperature and Lattice Expansion. C. Dybowski, S. Bai, S. van Bramer, P. Beckmann, and O. Dmitrenko. 48^th Experimental NMR Conference. Daytone Beach, Fl, April 22-27, 2007 (presented by Cecil Dybowski).

32. Density Functional Theory Calculations of ²⁰⁷PbNMR 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).