Shahar Keinan - Curriculum Vitae

Department of Chemistry

Duke University

Durham, NC 27708

Tel: (919) 660-1640 (W)

Please go to http://www.chem.duke.edu/people/ for e-mail address

http://www.chem.duke.edu/~yang

Education:

PhD, Chemistry, 2000, The Hebrew University of Jerusalem , Jerusalem , Israel .

BS, Chemistry, 1994, The Hebrew University of Jerusalem , Jerusalem , Israel .

Research Experience:

2001 -2004, Post-doctoral fellow

Duke University, with Prof. Weitao Yang and Prof. David Beratan

• Inverse Design With an Emphasis on Nonlinear Optical.

 

2001 -2004, Post-doctoral fellow

Northwestern University, with Prof. Tobin J. Marks and Prof. Mark A. Ratner

• Theoretical design of hydrogen-bonded, self-assembled supra-molecular chromophores for non-linear optics. Special attention is given to high accuracy description of the molecular geometry with first principles methods. Both linear and non-linear optical properties of the chromophores are investigated. Collaboration with experimental groups allows rapid developments of electro-optic devices based on theoretical predictions. The same methods are used in designing novel, supra- molecular, hydrogen-bonding systems, such as molecular tapes.

 

1995 - 2000, Graduate Studies

The Hebrew University of Jerusalem, with Prof. David Avnir

Thesis title: "The Applications of the Continuous Symmetry and Chirality Measures"

• Continuous symmetry measures and their application, both in quantitative structure- activity relationships (QSAR) of drug design and in inorganic materials, where the interactions between light and molecule are governed by symmetry.

 

Teaching experience:

2001-2003 Teaching computational chemistry as part of a quantum chemistry graduate course. 1995-2000 Teaching assistant in various chemistry courses and laboratories for B.Sc. students, including basic chemistry, physical chemistry, basic organic spectroscopy courses and inorganic-organic laboratory.

1997-1999 Vice-Chairman and Treasurer of the Organization of Ph.D. Candidates,

Teaching Assistants and Instructors at the Hebrew University .

Awards:

2002 The Lise-Meitner Minerva Center Junior Award.

2001 The R. Levine Prize of the Israeli Chemical Society for outstanding chemistry

graduate. 1996 The Kenet Prize for Educational Merit.

1."Continuos Symmetry Analysis of Hyperpolarizabilities. Characterization of the Second- Order Nonlinear Optical Response of Distorted Benzene" Kanis, D.R.; Wong, J.C.; Marks, T.S.; Ratner, M.A.; Zabrodsky, H; Keinan, S; Avnir, D.; J. Phys. Chem.(\995) 99 11061.

2. "How Much Chirality was there in Pasteur's Tartarate? The Quantitative Evaluation of the Chirality of Crystals" Keinan, S.; Zabrodsky Hel-Or, H.; Avnir, D.; Enantiomer (1996) 1 351-357.

3. "The Measurement of Symmetry and Chirality: Conceptual Aspects" Avnir, D.; Katzenelson, O.; Keinan, S.; Pinsky, M.; Pinto, Y.; Salomon, Y. and Zabrodsky Hel-Or, H.; at: Concept in Chemistry, Ed: Rouvray, D.H. pp. 283-324, (1997).

4. "Quantitative Chirality in Structure-Activity Correlations. Shape Recognition by Trypsin, by the D2 Dopamine Receptor and by Cholinesterases" Keinan, S. and Avnir, D.; J. Am. Chem. Soc. (1998) 120 6152-6159.

5. "The Measurement of Symmetry: Bridging Order and Disorder" Avnir, D.; Katzenelson, O.; Keinan, S.; Pinsky, M.; Pinto, Y.; Salomon, Y. and Zabrodsky Hel-Or, H.; Symmetry: Culture and Science, (1998) 9(2-4) 131-134.

6. "Quantitative Evaluation of the Near €2 Symmetry of the Bacterial Photosynthetic Reaction Center" Keinan, S.; Pinsky, M.; Plato, M.; Edelstein, J. and Avnir, D.; Chem. Phys. Lett. (1998) 298 43-50.

7. "Quantitative Symmetry in Structure Activity Correlations. The Near €2 Symmetry of Inhibitor/HIV Protease complexes" Keinan, S. and Avnir, D.; J. Am. Chem. Soc. (2000) 122 4378-4384.

8. "Continuous Symmetry Analysis of Tetrahedral/Planar Distortions. Copper Chlorides and Other AB 4 Species" Keinan, S. and Avnir, D.; Inorganic Chemistry (2001) 40(2) 318-323.

9. "Studies in Copper(II) complexes: Correlation between quantitative symmetry and physical properties" Keinan, S. and Avnir, D.; Dalton Trans. (2001) 941-947.

10. "Twisted it-systems Electro-Optic Chromophores. A CIS vs. MRD-CI Theoretical Study." Keinan, S.; Zojer, E.; Bredas, J.-L.; Ratner, M.A. and Marks, T.J.; THEOCHEM (2003) 633 227-235.

11. "A Free, Tricoordinate Stannylium Cation." Lambert, J. B.; Lin, L.; Keinan, S. and Muller, T.; J. Am. Chem. Soc. (2003) 125 6022-6023.

12. "The CsSiMey^ Cation: Pyramidal, Bicyclic, or Cyclohexadienyl?" Lambert, J. B.; Lin, L.; and Keinan, S.; Org. Biomol. Chem. (2003) 1 2559-2565.

14. "Molecular Zippers - Designing a Supramolecular System." Keinan, S.; Ratner, M. A. and Marks, T. J.; Angew. Chemie. (2004) submitted.

15. "Multiple Hydrogen Bonds Dimers: A Comparative Study of Theoretical Methods." Keinan, S.; Ratner, M. A. and Marks, T. J.; in preparation.

16. "NLO switches - excited states enhancement of nonlinear optical response" Keinan, S.; Ratner, M. A. and Marks, T. J.; in preparation.

17. "Variable Response of Twisted Merocyanine-Based Electro-Optic Chromophores and Their Dependence on Self-Assembly Connectors - A Theoretical MRD-CI Study." Keinan, S.; Zojer, E.; Bredas, J. -L.; Ratner, M. A. and Marks, T J.; in preparation.

Seminars, Posters and Abstracts:

1. "The C 2 symmetry of HIV Protease" Keinan, S. and Avnir, D. The Lise Meitner Minerva Center for Computational Quantum Chemistry 1st Symposium, Jerusalem, March 1998.

2. "How Much Chirality was There in Pasteur's Tartarate Crystals?" Keinan, S.; McBride, M. and Avnir, D. ICSD7, Jerusalem, August 1995. The 61st meeting of the Israel Chemical Society, Jerusalem , February 1996.

3. "Quantitative Evaluation of the Near Ca Symmetry of the Bacterial Photosynthetic Reaction Center" Keinan, S.; Edelstein, J.; Plato, M.; Pinsky, M. and Avnir, D. The 63rd meeting of the Israel Chemical Society, Tel-Aviv, February 1998.

4. "Quantitative Symmetry: Structural Correlations across Chemistry" Avnir, D.; Katzenelson, O.; Keinan, S.; Pinsky, M.; Pinto, Y. and Salomon, Y. Hebrew University/Berlin Technical University Meeting, February 1998.

5. "The Ca symmetry of HIV Protease. Influence of Symmetry on Inhibitors Binding Affinities" Keinan, S. and Avnir, D. Bi-national Italian-Israeli Conference on Physical Organic Chemistry, Jerusalem, August 1998.

6. "The Measurement of Symmetry: Enzymatic Activity" Avnir, D. and Keinan, S. International Symposium on the Treatment of Complex Chemical Systems: New Concepts in Theory and Experiment, Darmstadt University of Technology, May 1999.

8. "The Measurement of Symmetry: recent Advances. The Near C2 Symmetry of Inhibitor/HIV Protease Complexes" Keinan, S. and Avnir, D. WATOC99, London , August 1999.

9. "Variable NLO response of twisted merocyanine-based chromophores and their dependence on spacers - A theoretical study" Keinan, S.; Yang, Y.; Ratner, M. A. and Marks, T. J. The 34th Midwest Theoretical Chemistry Conference, Minneapolis, MN, October 2001.

10. "A theoretical study of hydrogen bonds self-assembly layers using molecules with high NLO response" Keinan, S.; Zhu, P.; Ratner, M. A. and Marks, T. J. WATOC02, Lugano, August 2002.

11. "Molecular zippers: A theoretical study of designing new hydrogen bonding supramolecular systems" Keinan, S.; Ratner, M. A. and Marks, T. J. 226th ACS National Meeting, New York , NY , September 2003.

12. "Molecular zippers: A theoretical study of designing new hydrogen bonding supramolecular systems" Keinan, S.; Ratner, M. A. and Marks, T. J. 44 th Sanibel symposium, St. Augustine , FL , March 2004.