Dr. Djamaladdin (Jamal) G. Musaev

Curriculum Vitae | Publications | Presentations | Research Summary | NATO Conference

Director, Principal Scientist
Cherry L. Emerson Center for Scientific Computation,
Emory University
Ph: 404-727-2382; Fax: 404-727-7412
e-mail: dmusaev@emory.edu

My Scientific Interests are (but not limited to):

* Understanding of fundamental principles of transition metal-catalyzed (including nano-scale catalysts) nitrogen fixation, hydrocarbon oxidation, sigma-bond (C-H, C-C etc) activation, alkene/alkyne boration, and olefin polymerization;
* Design of Solar energy-driven robust multi-electron-transfer catalysts for water splitting. Problems of Hydrogen production and storage.
* Search for new nano-scale materials with unusual physicochemical properties and reactivity.
* Elucidate mechanisms of enzymatic processes: Search for effective drugs against peroxynitrite toxicity. Application of nano-structures in biology.
* Seleno-metabolism: A search for effective Se-based anti-cancer drugs. Se transport mechanism in body.
* Understanding of fundamental principles and mechanisms of important metalloenzymatic catalysis such as oxidation (MMO, RNR), nitrogen fixation (FeMoco) and hydrogenation.

We have published 55+ papers during the years of 2005-2007 in peer-review journals (excluding conference proceedings etc.). Five most related papers (out of total 210+, for full publication list see link)

1. „The Principles of Dinitrogen Hydrogenation: Computational Insights." In Computational Modeling for Homogenous Catalysis and Biocatalysis, Eds: Morokuma, K. and Musaev, D. G.; Weinheim, Germany; Wiley-VCH., 2007, submitted
2. "Peroxynitrite Reductase Activity of Selenoprotein Glutathione Peroxidase: A Computational Study", Biochemistry, 2006, 45 (22), 6967-6977.
3. „The Computational Approaches to the Enzymes: The Studies of the structure of pyridoxal 5’–phosphate (PLP) dependent E.coli NifS CsdB protein." J. Comput. Chem. 2005, 26 (5) 443 - 446
4. „A Late-Transition Metal-Oxo Complex, O=Pt(H2O)L2, L=[PW9O34]9- „ Science, 2004, 306 (5704), 2074-2077.
5. „Epoxidation of Unfunctionalyzed Olefins by Mn(Salen) Catalyst Using Organic Peracids as Oxygen Source. A Theoretical Study" ", Proc. Nat. Acad. Of Sci. (USA) 2004, 101, 5743-5748.