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

*2009 Computational Chemist – Supplemental Professional.

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

*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:

 

 2009

62. Cobalt(III) Imido Complex and itÕs  Spin States Energetics.: Computational study. Klaus H. Theopold, Olga Dmitrenko at al. – in preparation.

61. A Series of Iron(I) Complexes and their reaction with O2. Fernando A. Jove, Chandi Pariya, Michael Scoblete, Glenn P. A. Yap, Olga Dmitrenko and Klaus H. Theopold – submitted to Angewandte Chemie.

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 – accepted to JACS.

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 – accepted to J.Mol.Structure.

58. L.O. Bjošrn, F.R. de Gruijl, M. Norval, O. Dmitrenko, Comment on ÓIn vitro model of vitamin D3 (cholecalciferol) synthesis by UV radiation: dose-response relationshipsÓ 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.

2007- 2008

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 (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).