Faculty

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411 Physical Sciences Laboratory Building 419.372.2080 pavel@bgsu.edu Visit

Joined the faculty in 2000
Ph.D., Czech Academy of Sciences, Prague (1997)
M.S., Charles University at Prague (1992)

Our work is focused on synthesis of novel pigments, chromophores, photoluminescent and electroluminescent materials as well as investigation of optical properties of materials capable of changes in color and luminescence for various real-life applications. More specifically we develop photonic materials and devices in two main areas: supramolecular materials for molecular sensing and materials that can be used in fabrication of OLEDs.

In the first area of research, we synthesize new supramolecular materials with interesting photonic and/or conductor properties. These polymeric materials are designed to change their photophysical or electrical properties as a result of association with other materials and species. As a part of this research we prepare new conjugated and/or semiconducting polymers with backbone-integrated receptors that are known to bind and sense biologically important materials such as anions, nucleotide phosphates and nucleotide-phosphonate based virostatics. Additionally, we are exploring self-assembled organometallic dendrimers capable of vectorial energy transfer, which is used to relay the information about the presence of various analyte.

The second main research area in the group is oriented toward the design and synthesis of new chromophores for applications in flat displays and development of OLED materials. Here we focus on synthesis of electroluminescent coordination polymers.

Zyryanov, G. V.; Kinstle, T. H.; Anzenbacher Jr, P.: Synthesis of Calix[4]pyrrole-Based Acrylate and Acrylamide Monomers: Precursors for Preparation of Anion-Selective Polymer Membranes. Synlett. 2008, 1171-1174

Montes, V. A.; Rodgers, M. A. J.; Anzenbacher, P., Jr.: Excited-State Equilibration over 30 in a Platinum(II) Quinolinolate-Bridge-Platinum(II) Porphyrin Complex. Inorg. Chem. 2007, 46, 10464-10466. DOI: 10.1021/ic701557q

Montes, V. A.; Prez-Bolvar, C.; Estrada, L.; Shinar, J.; Anzenbacher, Jr. P.: Ultrafast Dynamics of Triplet Excitons in Alq3-Bridge-Pt(II)Porphyrin Electroluminescent Materials. J. Am. Chem. Soc., 2007, 129, 12598-12599; DOI: 10.1021/ja073491x.

Zyryanov, G. V.; Palacios, M.; Anzenbacher Jr, P.: Rational Design of a Fluorescence-Turn-On Sensor Array for Phosphates in Blood Serum. Angew. Chem. Int. Ed. 2007, DOI: 10.1002/anie.200702611

Palacios, M. A.; Nishiyabu, R.; Marquez, M.; Anzenbacher, P., Jr.: Supramolecular Chemistry Approach to the Design of a High-Resolution Sensor Array for Multianion Detection in Water. J. Am. Chem. Soc. 2007, 129, 7538-7544; DOI: 10.1021/ja0704784.

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516 Life Sciences Building 419.372.8527 bullerj@bgsu.edu Visit

Ph.D., University of Virginia, Biology, 1984
A.B., Dartmouth College, Biology, 1977

Our work is currently focused on the regulation of nutrient-stress-inducible genes in cyanobacteria. We have identified genes and gene products inducible under nutrient (N, S, P) limitation and stationary phase conditions, and this work has aided in the development of whole-cell biosensors detecting the bioavailability of nutrients in environmental samples. Secondly, we examine the composition and dynamics of cyanobacterial communities in aquatic systems. Third, we are examining the structural requirements for productive electron transport in photosynthesis by studying the protein-protein interactions occurring between the copper protein plastocyanin and its reaction partners (Photosystem I and cytochrome f).

Hulsker, R., M.V. Baranova, G.S. Bullerjahn and M. Ubbink. 2008. Dynamics in the transient Prochlorothrix hollandica plastocyanin-cytochrome f complex. Journal of the American Chemical Society 130: in press.

Ivanikova, N.V., L.C. Popels, R.M.L. McKay and G.S. Bullerjahn. 2007. Lake Superior supports novel clusters of cyanobacterial picoplankton. Applied and Environmental Microbiology 73: 4055-4066.

Ivanikova, N.V., R.M.L. McKay, G.S. Bullerjahn and R.W. Sterner. 2007. Nitrate utilization in Lake Superior is impaired by low nutrient (P, Fe) availability and seasonal light limitation a cyanobacterial bioreporter study. Journal of Phycology 43: 475-484.

Boyanapalli, R., G.S. Bullerjahn, C. Pohl, P.L. Croot, P.W. Boyd and R.M.L. McKay. 2007. A luminescent whole-cell cyanobacterial bioreporter for measuring Fe availability in diverse marine environments. Applied and Environmental Microbiology 73: 1019-1024.

Wilhelm, S.W., G.S. Bullerjahn, J.M. Rinta-Kanto, M.L. Eldridge and R.A. Bourbonniere. 2006. Seasonal hypoxia and the genetic diversity of prokaryote populations in the central basin hypolimnion of Lake Erie: evidence for abundant picocyanobacteria and photosynthesis. Journal of Great Lakes Research 32: 657-671.

Ivanikova, N.V., R.M.L. McKay and G.S. Bullerjahn. 2005. Construction and characterization of a freshwater cyanobacterial bioreporter capable of assessing nitrate assimilatory capacity in freshwaters. Limnology & Oceanography: Methods 3: 86-93.

Hervas, M., E. Myshkin, N. Vintonenko, M.A. De la Rosa, G.S. Bullerjahn and J.A. Navarro. 2003. Mutagenesis of Prochlorothrix plastocyanin reveals additional features in Photosystem I interactions. Journal of Biological Chemistry 278: 8179-8183.

Porta D., G.S. Bullerjahn, K.A. Durham, S.W. Wilhelm, M.R. Twiss and R.M.L. McKay. 2003. Physiological characterization of a Synechococcus sp. (Cyanophyceae) strain PCC7942 iron-dependent bioreporter. Journal of Phycology 39: 64-73.

Crowley, P.B. N. Vintonenko, G.S. Bullerjahn and M. Ubbink. 2002. Plastocyanin cytochrome f interactions: the influence of hydrophobic patch mutants studied by NMR. Biochemistry 41: 15698-15705.

Myshkin, E., N.B. Leontis and G.S. Bullerjahn. 2002. Computational simulation of the docking of Prochlorothrix plastocyanin to Photosystem I: modeling the electron transfer complex. Biophysical Journal 82: 3305-3313.

Navarro, J.A., E. Myshkin, M.A. De la Rosa, G.S. Bullerjahn and M. Hervas. 2001. The unique proline of the Prochlorothrix hollandica plastocyanin hydrophobic patch impairs electron transfer to Photosystem I. Journal of Biological Chemistry 276: 37501-37505.

Babu, C.R., B.F. Volkman and G.S. Bullerjahn. 1999. NMR solution structure of plastocyanin from the photosynthetic prokaryote, Prochlorothrix hollandica. Biochemistry 38: 4988-4995.

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510 Physical Sciences Laboratory Building 419.372.8439 cable@bgsu.edu

Joined the faculty in 1989
Ph.D., Cornell University (1986)
M.S., University of California – Riverside (1980)
B.S., University of California – Riverside (1979)

Our research is focused on determining the structures of conformationally flexible molecules and the effect that solvation and hydrogen bonding has on these structures. To carry out these investigations we make use of vibrationally resolved electronic spectroscopy in the ultracold environment of a supersonic jet expansion. Electronic spectroscopy permits structural information to be obtained on both ground and excited electronic states through analysis of the resolved vibrational structure that appears under these conditions.

We are currently investigating a number of phenyl substituted amines and amides. These types of molecules form strong hydrogen bonds with a variety of partners, including water, and have the potential to act as both donors and acceptors. By studying hydrogen bonded clusters at high spectral resolution it is possible to determine the mode of binding between the solute and solvent as well as to characterize the structural perturbations that arise from the strong interaction.

“Conformations of Isolated Model Dipeptides in Supersonic Jet Expansions”, Cable, J. R.; Sharp, J. C.; Miller, N. J. Phys. Chem A, submitted.

“The infrared spectroscopy of H-bonded bridges stretched across the cis-amide group:  II.  Ammonia and mixed ammonia/water bridges”, Fedorov, A. V.; Cable, J. R.; Carney, J. R.; Zwier, T. S. J. Phys. Chem A2001, 105, 8162.

“The infrared spectroscopy of H-bonded bridges stretched across the cis-amide group:  I.  Water bridges”, Carney, J. R.; Fedorov, A. V.; Cable, J. R.; Zwier, T. S. J. Phys. Chem A2001, 105, 3487.

“Spectroscopy of hydrogen-bonded formanilide clusters in a supersonic jet:  Solvation of a model trans amide”, Fedorov, A. V.; Cable, J. R. J. Phys. Chem. A2000, 104, 4943.

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509 Physical Sciences Laboratory Building 419.372.7513 castell@bgsu.edu Visit

Joined the faculty in 1998
Ph.D., The Johns Hopkins University (1996)
M.A., The Johns Hopkins University (1993)
B.A., Clark University (1991)

Since the end of 2002, a significant focus of our "basic" research program involves the investigation of supra-nanosecond and ultrafast photophysical processes in platinum(II) polyimine chromophores bearing a variety of carbon-based ligands. These strongly-coupled metal-organic systems are of fundamental interest and may serve in a variety of applications including optical power limiting, solar energy conversion, and photocatalysis. We are currently developing new synthetic methodologies for the preparation of novel platinum structures. Our interest in the design and photophysical characterization of metal-organic chromophores facilitates our fruitful collaboration with the Ziessel group (Strasbourg, France), where we continue to investigate the photophysical properties of p-conjugated metal-organic complexes. On the more "applied" side my group continues to develop novel inorganic compounds with pendant photochromic quenchers and their associated polymeric materials for nondestructive luminescence readout, potentially useful for binary optical data storage in both read-only and read-write-erase formats. In these systems, the luminescence response from the metal complex indirectly signals the photochromic state of the quencher, circumventing direct interrogation of the photochemically active species (nondestructive readout). Collaborators at the NMRC in Cork, Ireland have used our molecules in near-field spectroscopy in an effort to produce ultrahigh density binary memory systems with information bits of sub-micron size. A recent extension of our work in this area demonstrated the concept of optical data storage using luminescence lifetime modulation/readout. In 2005 we started to explore the solid-state vapochromism (color changes in response to VOCs) inherent in some of the platinum(II) MLCT complexes described above. We recently illustrated the concept of low power photon upconversion using simple photochemical concepts, highlighted as "News of the Week" in C & EN (August 8, 2005). This year we also established a new program in solar energy conversion, focusing largely on the design and synthesis of new Ru(II) inorganic chromophores for dye sensitized solar cells.

Photophysics of the Platinum(II) Terpyridyl Terpyridylacetylide Platform and the Influence of Fe(II) and Zn(II) Coordination. Muro, M. L; Diring. S.; Wang, X.; Ziessel, R.; Castellano, F. N.; Inorg. Chem., 2008, submitted.

Ligand Localized Triplet Excited States in Platinum(II) Bipyridyl and Terpyridyl Perylene Acetylides. Rachford, A. A.; Goeb, S.; Ziessel, R.; Castellano, F. N.; Inorg. Chem. 2008, accepted.

Photochemical Upconversion Approach to Broad-Band Visible Light Generation. Singh-Rachford, T. N.; Islangulov, R. R.; Castellano, F. N.; J. Phys. Chem, A. 2008 ASAP Article

Bi- and Terpyridyl Platinum(II) Chloro Complexes: Molecular Catalysts for the Photogeneration of Hydrogen from Water or Simply Precursors for Colloidal Platinum. Du, P.; Schneider, J.; Li, F.; Zhao, W.; Patel, U.; Castellano, F. N.; Eisenberg, R.; J. Am. Chem. Soc. 2008, ASAP Article.

Pd(II) Phthalocyanine-Sensitized Triplet-Triplet Annihilation from Rubrene. Singh-Rachford, T. N.; Castellano, F. N.; J. Phys. Chem. A. 2008, ASAP Article.

Accessing the Triplet Excited State in Perylenediimides. Rachford, A. A.; Goeb, S.; Castellano, F. N.; J. Am. Chem. Soc. 2008, 130, 2766-2767.

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211 Physical Sciences Laboratory Building 419.372.3229 kglusac@bgsu.edu Visit

Joined the faculty in 2006
Ph.D., University of Florida, 2003
B.A., Belgrade University, Yugoslavia, 1999

I am interested in a study of coupled proton and electron motion in hydrogen-bonded D/A systems. Electron transfer (ET) mediated by hydrogen bonds (H-bonds) is essential to the function of redox proteins in many biological processes, particularly photosynthesis and respiration. Apart from providing a medium for ET, H-bonds in ET proteins have other functions. For example, ET in biological systems is often accompanied with a proton transfer along a certain H-bonded surface with the goal to achieve catalytic activity or drive proton pumps. Even though some insight into the general ET and proton transfer pathways in proteins has been obtained, a full understanding of the coupled effects that proton and electron motion have on each other is yet to be achieved.

Apart from its significance in biological systems, the understanding of ET through H-bonded systems will be valuable for the development of future devices. For example, the design of an efficient solar cell requires a donor/acceptor (D/A) system with a long-lived charge separated state. To achieve this goal, a specific H-bonded D/A system can be envisioned in which the initial charge separation induces the proton motion along the H-bonded surface and makes the charge recombination highly inefficient. In other words, the H-bonded surface could act as a unidirectional gate for the electron flow in D/A systems.

In order to obtain information on both electron and proton dynamics, we use two techniques: VIS pump-VIS probe and VIS pump-IR probe spectroscopy. After excitation using a VIS pump beam, the ET processes is studied by probing the transient species in the VIS spectral region, while the proton motion is observed by probing the vibrational modes of the transient species in the IR region. The model compounds are designed with the goal to elucidate the mechanism of coupled electron and proton motion both along H-bonded D/A systems and along H-bonded D/water/A systems.

D. B. Spry, K. D. Glusac, A. Goun and M. D. Fayer, "Excited State Proton Transfer as a Probe of Confined Water in Nafion Membranes," J. Am. Chem. Soc. 2007, 129, 8122-8130.

K. Glusac, M. E. Kose, H. Jiang, and K. S. Schanze, "Triplet Excited State in Platinum-Acetylide Oligomers: Triplet Loclizatiion and Effects of Conformation," J. Phys. Chem. B 2007, 111, 929-940.

K. D. Glusac, A. Goun and F. M. Fayer, "Photoinduced Electron Transfer and Teminate Recombination in the Group Head Region of Micelles," J. Chem. Phys., 2006, 125, 054712.

A. Goun, K. D. Glusac and M. D. Fayer, "Photoinduced Electron Transfer and Geminate Recombination in Liquids on Short Time Scales: Experiments and Theory," J. Chem. Phys., 2006, 124, 08454.

E. E. Silverman, T. Cardiolaccia, X. Zhao, K.-Y. Kim, K. D. Glusac and K. S. Schanze, "The Triplet State in Pt-Acetylide Oligomers, Polymers and Copolymers," Coord. Chem. Rev., 2005, 249, 1491.

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409 Physical Sciences Laboratory Building 419.372.8678 tkinstl@bgsu.edu Visit

Joined the faculty in 1971
Ph.D., University of Illinois (1963)
A.B., Bowling Green State University (1958)

Our program in natural products/bio-organic chemistry is concerned with the synthesis and biological evaluation analogs of plant derived phenolic compounds known to be inhibitors of tumor formation.  Ellagic acid, present in various fruits and vegetables, particularly strawberries, is a planar biaryl polyphenol.  Epigallocatechin gallate (EGCG) is a flavanoid polyphenol found in high concentration in brewed green tea.  Analogs, chosen on the basis of computerized molecular modeling studies, are being synthesized.

A long- term program in the chemistry of strained bicyclic ring compounds is proceeding in the areas of synthesis, mechanism and spectroscopy. We are particularly interested in partially fluorinated bicyclo[2.1.0] pentanes.  Flash vacuum pyrolysis techniques have allowed us to synthesize several novel non-natural molecules.

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212 Physical Sciences Laboratory Building 419.372.8663/2753 leontis@bgsu.edu

Joined the faculty in 1987
Ph.D., Yale University, New Haven (1986)
A.M., Harvard University (1980)
B.S., Ohio State University (1977)

Nucleic Acids (DNA and RNA) play diverse roles in living organisms. Not only do they encode genetic information but they actively participate in its readout from transcription to translation, including splicing, editing, and regulation at each stage. Single-stranded DNA and RNA molecules fold into complex 3-dimensional structures to carry out these roles. We are investigating the logic of the 3D architecture of these molecules using an integrated biophysical, biochemical, and bioinformatic approach. These complex structures are able to specifically bind other molecules, including potential drug molecules. Photosensitizers that can specifically bind DNA or RNA molecules have tremendous potential for overcoming present limitations of photodynamic therapy, by directing damage to molecules specific to the target cells. We are investigating the binding of potent photosensitizers to complex nucleic acids using biophysical and biochemical methods. See also: Geometric Classification of Non-Canonical Basepairing.

Lescoute, A., N. B. Leontis, et al. (2005). "Recurrent structural RNA motifs, Isostericity Matrices and sequence alignments." Nucleic Acids Res 33(8): 2395-409.

Razga, F., J. Koca, et al. (2005). "Hinge-like motions in RNA kink-turns: the role of the second a-minor motif and nominally unpaired bases." Biophys J 88(5): 3466-85.

Razga, F., N. Spackova, et al. (2004). "Ribosomal RNA kink-turn motif--a flexible molecular hinge." J Biomol Struct Dyn 22(2): 183-94.

Leontis, N. B. and E. Westhof (2003). "Analysis of RNA motifs." Curr Opin Struct Biol 13(3): 300-8.

Reblova, K., N. Spackova, et al. (2003). "Non-Watson-Crick basepairing and hydration in RNA motifs: molecular dynamics of 5S rRNA loop E." Biophys J 84(6): 3564-82.

Sponer, J., A. Mokdad, et al. (2003). "Unique tertiary and neighbor interactions determine conservation patterns of Cis Watson-Crick A/G base-pairs." J Mol Biol 330(5): 967-78.

Yang, H., F. Jossinet, et al. (2003). "Tools for the automatic identification and classification of RNA base pairs." Nucleic Acids Res 31(13): 3450-60.

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021 Overman Hall 419.372.1840 hplu@bgsu.edu Visit

Joined the faculty in 2006
Ph.D., Columbia University (1991)
M.S., Peking University, P.R. China (1984)

Our research is focused on the use of single molecule techniques to understand molecular dynamic processes and the effects of the local environment on these processes. We have been developing and applying time-resolved, nanoscale site-specific, single molecule methods that are an effective alternative to conventional methods, providing information under conditions most applicable to the natural processes underlying the area of research interest. Single-molecule approaches are useful and unique in studying heterogeneous and complex systems because the inhomogeneity can be identified and/or removed by studying one molecule at a time. Single molecules and molecular complexes can be observed as they traverse a wide range of energy states in real-time and the effect of this ever changing "system configuration" on chemical/biological reactions and other dynamical processes can be mapped.

Our current research work has been focused on (1) conformational dynamics and reaction in proteins and protein complexes under physiological conditions, and our long-term goal is to study single-molecule protein conformational dynamics and reactions in living cells; and (2) inhomogeneous interfacial chemical and biological reaction dynamics in solar energy conversion, bioremediation, and environmental systems, focusing on fundamental understanding of the controlling physical and chemical properties, such as, Franck-Condon coupling and barrier, vibrational and solvent relaxation energetics, molecular distributions, redox states identification, and molecular motions.

Probing Real-time Protein Interactions

Team Captures Individual Protein Interactions

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132 Overman Hall 419.372.2034 neckers@photo.bgsu.edu Visit

Joined the faculty in 1973
Ph.D., University of Kansas (1963)
A.B., Hope College (1960)

One area of research uses visible light photoinitiators synthesized in my laboratory to form photopolymers. We want to develop new photopolymerization systems and understand the molecular details of how polymerization occurs after the absorption of light. We are also interested in controlling polymerization in all dimensions from the surface of a developing system. This has many applications such as three-dimensional imaging and direct laser writing.

In the general area of laser-initiated photopolymerization, we are concerned with: investigating the photochemistry of molecules which initiate polymerization by either free radical mechanisms or cationic mechanisms after they absorb radiation; synthesis of new photoinitiators and new monomers which can be photopolymerized; development of new photosensitive materials and composite materials; and studying the process of photopolymerization by new transient spectroscopic techniques.

Mudiyanselage, T. K.; Neckers, D. C. Highly Absorbing Superabsorbent Polymers, J. Polym. Sci., A 2008, 46, 1357-1364.

Mondal, R.; Okhrimenko, A. N.; Shah, B. K.; Neckers, D. C. Photodecarbonylation of a-Diketones: A Mechanistic Study of Reactions Leading to Acenes. J. Phys. Chem., B 2008, 112, 11-15.

Hu, Y.; Wex, B.; Perkovic, M. W.; Neckers, D. C. Tunable Blue-Emitting Fluorophores - Benzo[1,2-b:3-b]dithiophene and Trithia[5]helicenes End-Capped with Electron-rich or Electron-deficient Aryl Substituents. Tetrahedron 2008, 64, 2251-2258.

Mudiyanselage, T. K.; Neckers, D. C. Photochromic Superabsorbent Polymers. Soft Matter 2008, 4, 768-774.

Palayangoda, S. S.; Adhikari, R. M.; Neckers, D. C. Carbazole-Based Donor-Acceptor Commpounds: Highly Fluorescent Organic Nanoparticles. Org. Lett, 2008, 10, 281-284.

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138C Overman Hall 419.372.9231 mogawa@bgsu.edu Visit

Joined the faculty in 1991
Ph.D., Northwestern University (1988)
M.S., Northwestern University (1983)
B.A., Oberlin College, Ohio (1980)

Our group is developing a new class of hybrid inorganic/biological materials possessing novel photochemical properties.

In one project we are using the principles of “metalloprotein design” to prepare a new class of miniature metalloproteins containing luminescent Cu(I) centers. The photophysical properties of these systems have been found to mimic many features found in natural photosynthetic reaction centers and can be used to develop new routes towards solar energy conversion. A related project uses supramolecular coordination chemistry to direct the assembly of novel peptide structures. We have found that such metal-mediated peptide assemblies possess a diverse range of morphologies ranging from nanometer-scale hollow spheres to nano-cylinders, making them possible candidates for drug delivery vehicles. Thus, a central theme of our laboratory is to combine inorganic coordination chemistry/photochemistry with protein design in order to prepare new types of hybrid materials which possess potentially useful chemical properties.

Metal-mediated Peptide Assembly:  Use of Metal Coordination to Change the Oligomerization State of an α-helical Coiled-coil, Tsurkan, M. V. and Ogawa, M Y., Inorg. Chem. 2007, 46, 6849-6851.

Electron-Transfer Functionality into Synthetic Metalloproteins from the Bottom-up, (Inorganic Forum Article), Hong, J, Kharenko, O. A. and Ogawa, M. Y., Inorg. Chem. 2006, 45, 9974-9984.

Electron-Transfer Functionality of Synthetic Coiled-coil Metalloproteins,  Ogawa, M. Y., Fan, J., Fedorova, A., Hong, J. Kharenko, O. A., Kornilova, A. Y., Lasey, R. C., Xie, F. J. Braz. Chem. Soc. 2006, 17, 1516-1521.

A Miniature Cu(I) Metalloprotein Undergoes Collisional Electron-transfer in the Inverted Marcus Region, J. Hong, O. A. Kharenko, A. K. Petros, B. R. Gibney, and M. Y. Ogawa,  Angew. Chem. Int. Ed. 2006, 37, 6137-6140.

Cu(I) Luminescence from the Tetranuclear Cu4S4 Cofactor of a Synthetic 4-Helix Bundle O. A. Kharenko, D. C. Kennedy, B. Demeler, M. J. Maroney, and M. Y. Ogawa, J. Am. Chem. Soc. 2005, 127, 7678. 

OFFICE: PHONE: EMAIL: WEBSITE:

302 Physical Sciences Laboratory Building 419.372.7606 molivuc@bgsu.edu Visit

Joined the faculty in 2006
Ph.D., M.S., University of Bologna, Italy (1988)

We use conventional and novel computational tools to investigate the reactivity of organic and biological molecules in their electronically excited states. One major target of our work is the mapping of the photon-induced "force field" which sets an equilibrium molecular structure into motion in realistic molecular environments (e.g. in solution or in a protein cavity). This force field can be calculated and represented in terms of photochemical reaction paths: ie. paths that start on an excited state potential energy surface and end on the ground state energy surface. Photochemical reaction paths comprise mechanistic elements that are not involved in the description of thermal reactions. These correspond to real crossings of different potential energy surfaces. For photochemical reactions prompted by direct irradiation these crossings often correspond to conical intersections that are regarded as the photochemical analogues of transition states. Given the central role of photochemical reaction paths and conical intersections (as well as singlet/triplet surface crossings) in the investigation of the excited state reactivity of proteins (e.g. biological photoreceptors) or solvated molecules (e.g. dyes in solution), we also develop computational strategies based on a combination of ab-initio quantum chemical methods and molecular mechanics methods that allow to study the effects of light irradiation on complex molecular systems.

Manuel Frutos, L.-M., Tadeusz Andruniow, T., Fabrizio Santoro, F., Nicholas Ferre N. and Olivucci, M. Tracking the Excited State Time Evolution of the Visual Pigment with Multiconfigurational Quantum Chemistry Proc. Nat. Acad. Sci. 2007, in press.

Zanirato, V., Pollini, G.-P., Di Risi, C., Valente, F., Melloni, A., Fusi, S., Barbetti, J., Olivucci, M. Synthesis of Bio Mimetic Light-Driven Molecular Switches Via a Cyclopropyl Ring-Opening/Nitrilium Ion Ring-Closing Tandem Reaction. Thetrahedron 2007, in press.

Migani, A.; Bearpark, M. J.; Olivucci, M.; Robb, M. A. Photostability vs. Photodegradation in the Excited-State Intramolecular Proton Transfer of Nitro Enamines: Competing Reaction Paths and Conical Intersections. J. Am. Chem. Soc. 2007, 129, 3703-3713.

Frutos, L.-M., Sancho, U., Garavelli, M., Olivucci, M. and Castano, O. The Role of the Intersection Space in the Photochemistry of Tricyclo[3.3.0.02.6]octa-3,7-diene. J. Phys. Chem. A 2007, 111, 2830-2838.

Strambi, A., Brana, P., Ferre, N. and Olivucci, M. Effects of Water Re-location and Cavity Trimming on the CASPT2/CASSCF/AMBER Excitation Energy of Rhodopsin. Theo. Chem. Acc. 2007, published on-line

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311 Physical Sciences Laboratory Building 419.372.7607 rodgers@bgsu.edu Visit

Joined the faculty in 1988
Ph.D., Chemistry, University of Manchester, UK (1966)
M.S., Chemistry, University of Manchester, UK (1964)
B.S., Chemistry, Royal Institute of Chemistry, UK, (1963)

Studies in photodynamics.

1. Excited state dynamics of tetrapyrrole macrocycles.
2. Photodynamic damage in biology.
3. Energy transfer involving oxygen.
4. Electron transfer in proteins and peptides.
5. The design, assembly and use of high-technology instrumentation for transient spectroscopy.

Cheng, G.; Peng, X.; Hao, G.; Kenndey, V. O.; Ivanov, I. N.; Knappenberger, K.; Hill, T. J.; Rodgers, M. A. J. Synthesis, photochemistry and electrochemistry of a series of phthalocyanines with graded steric hindrance. J. Phys. Chem. A, in press.

Chiorboli, C.; Rodgers, M. A. J.; Scandola, F. Ultrafast processes in bimetallic dyads with extended aromatic bridges. Energy and electron transfer pathways in tetrapyridophenazine-bridged complexes J. Am. Chem. Soc. 2003,125 (2), 483-491.

Rodgers, M. A. J. Chromic phenomena: technological applications of color chemistry by Peter Bamfield. J. Am. Chem. Soc. 2002, 124 (46), 13960.

Merzlikine, A. G.; Voskresensky, S. V.; Danilov, E. O.; Rodgers, M. A. J.; Neckers, D. C. Observations of different triplet conformations in time-resolved infrared spectra of alkyl phenylglyoxylates. J. Am. Chem. Soc. 2002, 124 (49), 145.

Gusev, A.; Danilov, E. O.; Rodgers, M. A. J. Association complexes between cationic metallophthalocyanines and anionic metalloporphyrins II: ultrafast studies of excited state dynamics. J. Phys. Chem. A 2002,106, 1993-2001.

Gusev, A.; Rodgers, M. A. J. Association complexes between cationic metallophthalocyanines and anionic metalloporphyrins I: spectrometric studies of electronic interactions. J. Phys. Chem. A 2002,106, 1985-1992.

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124 McFall Center 419.372.9450 snavely@bgsu.edu

Joined the faculty in 1985
Ph.D., Physical Chemistry, Yale University (1983)
B.S., Chemistry, Ohio State University (1977)

The research group of Professor Deanne Snavely has developed a radical chain polymerization method that uses the absorption of visible light by vibrational overtone states to initiate polymerization reactions. Vibrational overtone absorptions of the fifth and third CH stretching vibrational transitions are used to activate a radical precursor capable of initiating polymerization. This new photopolymerization process does not use typical excited electronic state photochemistry that governs most photopolymerization processes. Vibrational overtone photochemistry is initiated through excited vibrational states of the ground electronic state, so initiators employed in thermal polymerization processes are used. This distinction between excited electronic state and excited vibrational state means that the photon energies needed for initiation can be lower that those needed in electronic state photopolymerization. Furthermore it is possible to vary the rate of the polymerization reaction by tuning the excitation laser wavelength to different vibrational overtone absorption features or wavelengths where no absorption occurs. Vibrational overtone polymerization offers the possibility of long wavelength photoinitiation, laser selective photo-degeneration and wavelength selectivity.

Future research in this area will capitalize on and investigate the unique aspects of vibrational overtone polymerization.

• Long wavelength initiation and monomers for medical applications Vibrational overtone polymerization will be employed in micro-fabrication processes or in medical application where small quantities of polymer are required in precise locations. Often these processes require wavelength selectivity and long wavelength initiation so as to penetrate into flesh or not damage surrounding components.
  
  
• Average molecular mass and thermal characteristics of vibrational overtone polymers Given the novel polymerization process, a study of the average molecular mass and thermal characteristics should be undertaken. The results of these studies will be compared to thermal polymerization.
  
  
• Spatial control for imaging or surface structure Starting with a suitable monomer, vibrational overtone techniques will be used to photo-crosslink a polymer film. Initial studies will involve a spin-coated film with timed irradiation in order to create cross-linked patterns on the film. The wavelength selectivity of this process will be investigated.
  
  
• Laser selective degradation of polymer films Laser vibrational overtone irradiation will be used to degrade polymer films. Polymers with photoreactive groups will be irradiated on their various vibrational overtone absorption features. The surface will then be imaged to observe the photo damage. This process will be initiated by long wavelength light and it is anticipated that it will have the selectivity of vibrational overtone polymerization.

“Vibrational overtone initiated photopolymerization of acrylonitrile”, H.Gu and D.L. Snavely, J. Appl. Poly. Sci., 90(2), 565-571 (2003).

“Vibrational Overtone Activated Photo-Cross-Linking of Ethylene Glycol Dimethacrylate Using Benzoyl Peroxide and 2,2'-(Azobis)isobutyronitrile as Initiators”, Gu, H.; Snavely, D. L.; Macromolecule, 36(9); 3160-3165 (2003).

“Vibrational overtone spectroscopy of ethyleneglycol diacrylate and ethyleneglycol dimethacrylate, monomer and polymer”, Timofey Gerasimov and D. L. Snavely, Appl. Spect., 56, 2, (2002).

“Vibrational Photopolymerization of methyl methacrylate and quantitative analysis of polymerization results”, T.G. Gerasimov and D.L. Snavely, Macromolecule, 35(15) 5796-5800 (2002).

OFFICE: PHONE: EMAIL: WEBSITE:

309 Physical Sciences Laboratory Building 419.372.3865 atarnov@bgsu.edu Visit

Joined the faculty in 2005
Ph.D., S. I. Vavilov State Optical Inst, St. Petersburg, Russia (1993)
M.S., Institute of Fine Optics, St. Petersburg, Russia (1986)

The focus of our research interests is two-fold:

• Developing a molecular-level understanding of the dynamics of chemical reactions occurring in solution, and;
  
  
• Gaining a deep, detailed insight into the dynamics and
  mechanisms of ultrafast (femto- and picosecond) photoinduced processes.

In our research, we use state-of-the art experimental methods of ultrafast, time-resolved spectroscopy.

Ultrafast Formation of I2 Following 350-nm Photodissociation of Difluorodiiodomethane in n-Hexane, P. El-Khoury, A. N. Tarnovsky. Chem. Phys. Lett., 2008, 453, 160-166.

The Reactivity of the Iso-Diiodomethane and Iso-Iodoform Isomers Towards the Double Bond of a Variety of Cycloalkenes, A. N. Tarnovsky, I. Pascher, T. Pascher, J. Phys. Chem. A 2007, 11, 11814-11817.

Watching Eltrafast Barrierless Excited-State Isomerization of Pseudocyanine in Real-Time, B. Dietzek, A., Yartsev, A. N. Tarnovsky, J. Phys. Chem. B., 2007, 11, 4520-4526.

Photoexcitation of Aqueous Ruthenium(ii)-Tris(2,2'-Bipyridine) with High-Excitation Femtosecond Laser Pulses, A. N. Tarnovsky, W. Gawelda, M. Saes, C. Bressler, M. Chergui, J. Phys. Chem. B., 2006, 110, 26497-26505.

Spin-Orbit Ab Initio Investigation of the Photolysis of Bromoiodomethane, Ya-J, Liu, D. Ajitha, J. Wisborg-Krogh, A. N. Tarnovsky, R. Lindh, ChemPhysChem, 2006, 7, 955-963.

OFFICE: PHONE: EMAIL: WEBSITE:

411 Physical Sciences Laboratory Building 419.372.7245 bruno@kottan-labs.bgsu.edu Visit

Diploma, Technical High School of St. Polten, Austria (1981)
Diploma, University of Vienna (1985)
Ph.D., University of Vienna (1988)

• Materials Science
• Thin Films

OFFICE: PHONE: EMAIL:

310 Physical Sciences Laboratory Building 419.372.2035 rmw@bgsu.edu

Joined the faculty in 2005
Ph.D., Massachusetts Institute of Technology (1965)
B.S., The Pennsylvania State University (1961)

Our research interests are directed towards photochemical application of lasers, primarily argon ion lasers, and fall into two broad categories: the laser synthesis of new materials and the development of reagents for the photochemical manipulation of biological systems.  These include:

• The use of CW laser plasmas to prepare carbon bowls, Bucky Bowls and the study of the properties of these bowl-shaped “aromatic” hydrocarbons.
• The development of new reagents for the photochemical cross-linking of nucleic acids, primarily RNA, with proteins.
• The development of new reagents for the photochemical cleavage of nucleic acids, primarily RNA.
• The development of the aforementioned two techniques to study the interactions between nucleic acids and proteins using mass spectrometry to obtain detailed structural information about the nature of these interactions

“The Vocabulary of Organic Chemistry”, 2nd Edition, Wiley-Interscience, 2005, with Milton Orchin, Allan Pinhas, and Roger Macomber.

“Photoaffinity Labeling with 8-Azidoadenosine and Its Derivatives: The Chemistry of Closed and Open Adenosine Diazaquinodimethanes”, Biochemistry, 2005, 44, 11241-11253, with Dmitrii Polshakov, Saroj Rai, Eric T. Mack, Martin Vogel, Jeanette Krause, Gotard Burdzinski, and Matthew S. Platz.

“DNA Photocleavage and Biological Activity of a Pyrene Dihydrodioxin”, Bioorganic and Medicinal Chemistry Letters, 2005, 15, 2173-2176, with Eric T. Mack, Dagne Birzniece, Darren Veach, and William Coyle.

“Thermal and Photochemistry of a Pyrene Dihydrodioxin (PDHD) and Its Radical Cation: A Photoactivated Masking Group for ortho-Quinones”, Journal of the American Chemical Society, 2004, 126, 15324, with Eric T. Mack, A. Björn Carle, and J. T.-M. Liang, W. Coyle.

OFFICE: PHONE: EMAIL: WEBSITE:

538A Life Science Building 419.372.4645 zxu@bgu.edu Visit

Microorganisms represent the major portion of biomass on Earth with enormous diversity in morphology, genetics, and metabolism, which implies huge application potentials. We are interested in using genetic, biochemical, and photochemical approaches to develop microbial systems that can be applied to environmental processes, such as remediation of hazardous substances, development of detection or monitoring systems, and production of high value products from agricultural or industrial by-products or wastes. Currently, we are focusing on the following projects:

1. Genetic engineering of the surface layer (S-layer) protein RsaA of Caulobacter crescentus for heavy metal retrieval. Caulobacter crescentus is a harmless dimorphic bacterium widely found in aquatic environments. In common with many other prokaryotic organisms, Caulobacter cells are coated with an orderly structured S-layer, which is composed of identical subunits of protein or glycoprotein. Because of their external location and crystalline arrangement, S-layer proteins become ideal carriers to display foreign peptides on the surface of a host cell, allowing us to build remediation bioreactors with heavy metal removal capacity or to fabricate nano-scale constructs for photodegradation of organic pollutants.

2. Site-directed mutagenesis of bacterial sensory rhodopsin for wanted optical properties. In Anabaena (Nostoc) sp. PCC7120, the light sensory rhodopsin ASR is responsible for sensing green light and activating a cascade of light-sensitive reactions in the cell body. In this project, we aim to generate ASR mutants that can absorb light at different wavelengths. The application of the results can be foreseen in a variety of aspects, such as development of molecular light switches in nanotechnology and light-induced gene expression in biotechnology. This project is in collaboration with Dr. Massimo Olivucci at the BGSU Department of Chemistry.

3. Genetic modification of cellulases to improve the enzyme catalytic efficiency, thermostability, and substrate specificity or stereoselectivity. Due to global energy crisis, developing renewable forms of energy like hydro, solar and bio-energy has become increasingly important. Energy from biomass has a promising future because it ensures self-reliance through the use of local resources with simple technologies and less production hazards. This project aims to utilize genetic tools to facilitate the hydrolysis of cellulose, which becomes useful as a food and energy source once it is broken down into soluble cellobiose (β-1,4 glucose dimer) and glucose.

Zhang Q, Sun M, Xu Z, Yu Z. 2007. Cloning and characterization of pBMB9741, a native plasmid of Bacillus thuringiensis subsp. kurstaki strain YBT-1520. Current Microbiology. Accepted.

Dutton R.J., Z. Xu and J.W. Gober. 2005. Linking structural assembly to gene expression: a novel mechanism for regulating the activity of a σ54 transcription factor. Molecular Microbiology. 58 (3): 743-757.

Xu Z., B. Yao, M. Sun and Z Yu. 2004. Protection of mice infected with Plasmodium berghei by Bacillus thuringiensis crystal proteins. Parasitology Research, 92(1): 53-57.

Xu Z., A. Mulchandani and W. Chen. 2003. Detection of benzene, toluene, ethyl benzene and xylenes (BTEX) using toluene dioxygenase-peroxidase coupling reactions. Biotechnology Progress. 19: 1812-1815.

Lee S.Y., J.H. Choi and Z. Xu. 2003. Microbial cell surface display. Trends in Biotechnology, 12(1): 45-52.

Xu Z., W. Bae, A. Mulchandani, R.K. Mehra and W. Chen. 2002. Heavy metal removal by novel CBD-EC20 sorbents immobilized on cellulose. Biomacromolecules, 3:462-465.

Lee S.Y., Z. Xu, and J.H. Choi. 2001. Expression vectors encoding Escherichia coli OmpC as a cell surface anchoring motif. US Patent: US 6: 274,345.

Xu Z., S.Y. Lee and Z. Yu. 1999. Physiological characteristics of recombinant E. coli cells displaying poly-His peptides. Biotechnology Letters, 21: 1091-1094.

Xu Z., and S.Y. Lee. 1999. Display of polyhistidine peptides on the Escherichia coli cell surface by using outer membrane protein C as an anchoring motif. Applied and Environmental Microbiology, 65: 5142-5147.

OFFICE: PHONE: EMAIL: WEBSITE:

521A Life Science Building 419.372.8007 wyang@bgsu.edu Visit

My research focuses on three major projects: nucleocytoplasmic trafficking mechanism, nuclear envelope disassembly and assembly mechanisms and application of quantum dots in biological systems. Methodologies and techniques in my lab include single molecule methods, biotechnology, advanced imaging methods and nanotechnology. The following are the brief introduction for each project.

In eukaryotic cells, nuclear pore complexes mediate bidirectional transport of proteins, RNAs, and ribonucleoprotein complexes across the double-membrane nuclear envelope. Dysfunction of transport or mutation of nuclear porins can result in numerous human diseases including leukemia, cancers, and primary biliary cirrhosis. However, the transport mechanism is still poorly understood though numerous models have been postulated. Single molecule methods we developed have been proven to be a powerful way to elucidate the problems. My primary focus is to continue exploring the transport mechanism.

During mitosis, a single nucleus gives rise to two nuclei that are identical to the parent nucleus. Mitosis consists of a continuous sequence of events that must be carried out once and only once. Two such important events are the disassembly of the nuclear envelope (also known as nuclear envelope breakdown) during the first stages of mitosis, and its accurate reassembly during the last stages of mitosis. These mechanisms have been described by various models but are still controversial. I expect our novel techniques to shed light on these problems.

Highly photostable fluorescent bio-probes can make a revolutionary progress for drug-delivery study and biomedical imaging. Quantum dots are such promising candidates which have many advantages over organic dyes people used. The quantum dots attached to specific drugs can be microinjected into living cell and small animals. Then the cyto-localization of quantum dots can be studied by combining fluorescence microscopy and electron microscopy methods.

Yang W. and Musser M. S. (2006) Nuclear transport time and efficiency are dependent on importin ß concentrations Journal of Cell Biology, 174, 951-961.

Yang W. and Musser M. S. (2006) Visualizing single molecules transiting through nuclear pore complexes using narrow-field epifluorescence microscopy Methods, 39, 316-328.

Yang W., Gelles J. and Musser M. S. (2004) Imaging of single-molecule translocation through nuclear pore complexes. Proc. Natl. Acad. Sci. USA, 101, 12887-12892.

Wang P. N., Yang W., et al. (2004) Photoluminescence from High Purity InN and InGaN Nanoparticles Synthesized by Pulsed Discharge in Focus on Nanotechnology Research, Eugene V. Dirote (Editor), Nova Science Publisher. Chapter 8, 155-172.

Yang W., Wang P.N., Li F.M. and Cheah K.W. (2002) "Synthesis of oxygen-free InN nanoparticles by pulse discharge". Nanotechnology, 13, 65-68.