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Biographical Sketch
Musaev, Djamaladdin (Jamal) G. Director, Cherry L. Emerson Center for Scientific Computation, Emory University
Professional Preparation: Undergraduate, graduate and postdoctoral training
Institution Major/Area Degree Year Azerbaijan State University, Azerbaijan Quantum Physics BS & MS 1978 USSR Academy of Sciences, Moscow, Russia Quantum Chem Ph.D. 1985 Institute for Molecular Sci., Okazaki, Japan Quantum Chem JSPS fellow 1991-93 Appointments: 1. Director, Cherry L. Emerson Center, Emory University (2006-present); 2. Visiting Professor, Universitat de les Illes Balears, Palme de Mallorca, Spain, (Oct 2007); 3. Visiting Professor The University of Tokyo, Japan (May 2002 – May 2003); 4. Manager, Cherry L. Emerson Center, Emory University, (1993-2006); 5. JSPS Research Associate, Institute for Molecular Science, Okazaki, Japan, (1991-1993); 6. Senior Researcher, Inst. for New Chemical Problems, USSR Academy of Sciences, Chernogolovka, Moscow Region, Russia, (1986-1993); 7. Junior Researcher, Inst. for New Chemical Problems, USSR Academy of Sciences, Chernogolovka, Moscow Region, Russia, (1981-1986); 8. Visiting Scientist, Nesemyanov's Inst. of Organo-Element Compounds, USSR Academy of Science, Moscow, Russia, (1978-1981); 9. Junior Scientist, Institute for Theoretical Problems of Chemical Processes, Azerbaijan Acad. of Science, Baku, Azerbaijan, (1978-1981). RESEARCH INTERESTS:
1. Theoretical/Computational Studies of: (on Catalysis, Enzymatic Processes, Drug Design): • Understanding of fundamental principles of transition metal-catalyzed (including nano-scale catalysts) nitrogen fixation, hydrocarbon oxidation, σ-bond (C-H, C-C etc) functionalization, alkene/alkyne boration, and olefin polymerization;
• Designing of Solar energy-driven robust multi-electron-transfer catalysts for water splitting. Hydrogen production, storage and transportation
• 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, targeted drug delivery.
• Stereoselective C-H bond functionalization (oxidation, amination, alkylation, etc.)
2. The development of hybrid computational methods applicable to nano-scaled systems. HONORS:
• Editorial Board Member, Organometallics, (2015-current) • Japan Society for Promotion of Science (JSPS) Senior Fellowship, 2013 • Turkish Scientific and Technological Research Council fellow, 2011 • Visiting Professor: Universitat de les Illes Balears, Palme de Mallorca, Spain, (Oct. 2007) • Visiting Professor: The University of Tokyo, Tokyo, Japan (2002) • Japan Society for Promotion of Science (JSPS) Fellowship (1991-1993)
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PUBLICATIONS: more than 355 papers, two Books, and six book chapters: H-Index: 62 (Sixty One); Total number of citations: more than 12800;
Lecture delivered: more than 300 lectures were delivered at the Universities and R&D companies of USA, Japan, Canada, Russia, Germany, France, Spain, Italy, Sweden, Israel, China, Korea, Taiwan, Turkey, Azerbaijan,….
Synergistic Activities (short list):
• Founding Member of the National Science Foundation (NSF, USA) funded “Center for Stereoselective C-H Functionalization”. Center includes 14 top Universities of USA, 2 leading pharma Companies, 25 Principal Investigators and over 70 researchers. (see http://www.nsf-cchf.com/), Sept., 2009-current
• Founding Member of the “Emory BioInspired Renewable Energy Center”. (see http://ebrec.emory.edu/), Sept. 2006-current
• Founder of the Emerson Center Lectureship Award with annual Symposium (2003-current). Award Winners are World’s leading scientists. (see: http://www.emerson.emory.edu/conferences/index.html)
• Organizer of the International (NATO) Symposium “From Simplicity to Complexity in Chemistry and Beyond: Interplay Theory and Experiment” (with Drs. C. Hill (USA), A. Muller (Germany), V. Farzaliyev (Azerbaijan)), May 26-29, 2008, Baku Azerbaijan.
• Organizer of the Symposium “The Interface of Computation with Chemistry and Biochemistry: Methods and Applications” within 55th Southeast Regional Meeting of the American Chemical Society (SERMACS-03), November 16-19, 2003, Atlanta, Georgia.
• Chair of the Organizing Committee of the Intern. Symposium: “In the Frontiers of Quantum Chemistry and Chemical Reactions” (Emory University, 21-22 May 1999 ).
• Local Committee member (coordinator of the scientific program) of the 9th Intern. Congress of Quantum Chemistry (9-14 June, 1997, Emory University, Atlanta, USA).
Graduate and Postdoc Advisers O. P. Charkin (Moscow, Russia) and K. Morokuma (Emory Univ.)
Scientific Reviewer of the dozens peer-reviewed scientific journals (such as Nature, Science, JACS; JPC; Org. Let.; Organometallics; Inorg. Chem.; J. Comp. Chem., J. Mol. Str (Theochem), Biochemistry, Angwante Chem., Phys.Chem. Chem. Phys., and more). Ad-hoc member of NIH reviewer panel, 2008-2011 DOE grant reviewer and panelist, 2009- NSF grant reviewer and panelist, 2005- ACS-PRF and OTHER agency 2000- SELECTED PAPERS (15 out of ~355 total):
1. Qiushi Yin, Jeffrey Miles Tan, Claire Besson, Yurii V. Geletii, Djamaladdin G. Musaev, Aleksey E. Kuznetsov, Zhen Luo, Ken I. Hardcastle, Craig L. Hill „A soluble molecular fast organic-structure-free water oxidation catalyst based on abundant metals“ Science, 2010, 328, 342-345
2. Zhuangqun Huang, Zhen Luo, Yurii V. Geletii, James Vickers, Qiushi Yin, David Wu, Yu Hou, Yong Ding, Djamaladdin G. Musaev, Craig L. Hill, Tianquan Lian, „Efficient light-driven carbon-free Cobalt-based molecular catalyst for water oxidation“ J. Am. Chem. Soc, 2011, 133, 2068-2071.
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3. Valentine P. Ananikov, Nikolay V. Orlov, Sergey S. Zalesskiy, Irina P. Beletskaya, Victor N. Khrustalev, Keiji Morokuma and Djamaladdin G. Musaev, „ Catalytic Adaptive Recognition of Thiol (SH) and Selenol (SeH) Groups Towards Synthesis of Functionalized Vinyl Monomers“,J. Am. Chem. Soc, 2012, 134, 6637-6649 (see also: Chemical & Eng. News, 2012, April 16, page 40)
4. Lv, Hongjin; Geletii, Yurii V.; Zhao, Chongchao: Vickers, James W.; Zhu, Guibo; Luo, Zhen;Song, Jie; Lian, Tianquan; Musaev, Djamaladdin G.; Hill, Craig L. „Polyoxometalate water oxidation catalysts and the production of green fuel,“ Chem. Soc. Rev., 2012, 41, Issue: 22, 7572-7589.
5. Alexey L. Kaledin, Adri C. T. van Duin, Craig L. Hill, Djamaladdin G. Musaev „Parameterization of Reactive Force Field: Dynamics of the [HxNb6O19](8-x) Lindqvist Polyoxoanion in Bulk Water“, J. Phys. Chem. A, 2013, 117, 32, 6967-6974
6. Djamaladdin G. Musaev, Travis M. Figg, Alexey L. Kaledin, “Versatile Reactivity of Pd-Catalysts: Mechanistic Features of the Mono-N-Protected Amino-Acid Ligand and Cesium-Halide Base in Pd-Catalyzed C-H Bond Functionalization“ Chem. Soc. Rev. 2014, 43, 5009-5031.
7. Hongjin Lv, Jie Song, Yurii V. Geletii, James W. Vickers, Jordan M. Sumliner, Djamaladdin G. Musaev, Paul Kögerler, Petro F. Zhuk, John Bacsa, Guibo Zhu, Craig L. Hill, „An Exceptionally Fast Homogeneous Carbon-Free Cobalt-Based Water Oxidation Catalyst“, J. Am. Chem. Soc. 2014, 136 (26), pp. 9268-9271.
8. Alexey L. Kaledin, Tianquan Lian, Craig L. Hill, Djamaladdin G. Musaev „An infinite order discrete variable representation of an effective mass Hamiltonian: Application to exciton wavefunctions in quantum confined nanostructures.“ J. Theor. Comp. Chem., 2014, 10 (8), pp 3409–3416.
9. Kei Muto, Junichiro Yamaguchi, Djamaladdin G. Musaev, Kenichiro Itami, „Decarbonylative organoboron cross-coupling by nickel catalysis. The ester Suzuki–Miyaura coupling“, Nature Communication, 2015, 6, 7508.
10. Kuangbiao Liao, Solymar Negretti, Djamaladdin G. Musaev, John Bacsa, Huw M. L. Davies, “Site-selective and stereoselective Functionalization of unactivated C–H bonds,” NATURE, 2016, 533(7602), pp. 230-234.
11. Weiwei Guo, Hongjin Lv, Kevin P. Sullivan, Wesley O. Gordon, Alex Balboa, George W. Wagner, Djamaladdin G. Musaev, John Bacsa, Craig L. Hill, “Broad-Spectrum Liquid- and Gas-Phase Decontamination of Chemical
Warfare Agents by One-Dimensional Heteropolyniobates”, Angew.
Chem. Int. Ed., 2016, 55, 7403-7407.
12. Brandon E. Haines, Jin-Quan Yu, Djamaladdin G. Musaev, „ An enantioselectivity model for Pd-catalyzed C-H Functionalization Mediated by the Mono-N-Protected Amino Acid (MPAA) Family of Ligands“, ACS Catalysis, 2017, 7, 4344-4354
13. Brandon E. Haines, Takahiro Kawakami, Kei Murakami, Kenichiro Itami, Djamaladdin G. Musaev, “Key Mechanistic Details and predictive Models for Cu-catalyzed Aromatic C-H Imidation with N-Fluorobenzenesulfonimide.” Chem. Sci., 2017, 8 (2), 988-1001 (see also: Chemical & Eng. News, 2016, November 7, page 13)
14. Kuangbiao Liao, Tom Pickle, Vyacheslav Boyarskikh, John Bacsa, Djamaladdin G. Musaev, Huw M. L. Davies, “ Catalyst-Controlled Site-Selective and Stereoselective Functionalization of Non-Activated Tertiary C–H Bonds, NATURE, 2017, DOI:10.1038/nature24641
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http://dx.doi.org/10.1038/nature24641
15. Kenji Usui, Brandon E. Haines, Djamaladdin G. Musaev, Richmond Sarpong, “Understanding C–H functionalization site-selectivity in a directed alkynylation“, 2017, submitted
Externally Funded research Projects
Current
1. Title: “Solar energy-driven robust multi-electron-transfer catalysts for water splitting”. Sponsor: Department of Energy (DOE (DE-FG02-07ER-15906)) Principal Investigator: Hill, Craig L. (Emory) Role: Co-PI Total award: ~$1,080,000; Dates of project: 09/01/16 – 08/31/19 ~$360,000 for Musaev’s research Number of person months per year devoted to project: 1 month -------------------------------------------------- 2. Title: NSF-CCI; “Center in Catalytic Stereoselective C–H Functionalization”, Phase-III Sponsor: National Science Foundation (CCI-NSF: CHE-1700982) Principal Investigator: Davies, Huw (Emory) Role: Co-PI Total Award: $20,000,000; Dates of project: 09/01/17 - 08/31/22 ~$1,050,000 for Musaev’s research Number of person months per year devoted to project: 2.0 months -------------------------------------------------- 3. Title: Multidisciplinary Research for the Advancement of Filtration Materials:
in situ/operando Studies of Ambient Surface Chemistry Sponsor: DOD-DTRA (W911NF-15-2-0107) Principal Investigator: John R. Morris (Virginia Tech) Total award: $5,000,000 Dates of project: 9/1/14-8/31/19 ~$377,000 for Musaev’s research Number of person months per year devoted to project: 1 month
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Previous 1. Title: “Principles of Selective O2-Based Oxidation by Optimal (Binuclear) Catalytic Sites”. Sponsor: Department of Energy (DOE, Catalysis, DE-FG02-03ER15461) Principal Investigator: Musaev, D. G. (Emory) Total award: ~$1,839,943.00: Dates of project: 09/01/03 – 08/31/14 Co-PI’s Hill, C. (Emory) and K. Morokuma (Emory) ---------------------------------------------------- 2. Title: “Acquisition of Computer Systems for Computational Chemistry and Chem. Physics”,
Sponsor: National Science Foundation- (MRI-R2) (CHE-0958205) Principal Investigator: D. Lynn (Emory), Role: Co-PI Total award: $368,000; Dates: 10/01/10-9/30/13 ------------------------------------------
3. Title: NSF-CCI; “Center in Catalytic Stereoselective C–H Functionalization”, Phase-I Sponsor: National Science Foundation (CCI-NSF: CHE-0943980) Principal Investigator: Huw Davies (Emory) Role: Co-PI Total Award: $1,500,000; Dates of project: 09/01/09 - 08/31/12 $300,000 for Musaev’s research --------------------------------------------- 4. Title: NSF-CCI; “Center in Catalytic Stereoselective C–H Functionalization”, Phase-II Sponsor: National Science Foundation (CCI-NSF: CHE-1205646) Principal Investigator: Huw Davies (Emory) Role: Co-PI Total Award: $20,000,000; Dates of project: 09/01/12 - 08/31/17 $1,375,000 for Musaev’s research ----------------------------------------------- 5. Title: “Multifunctional nanomolecules underlying detecting and catalytically decontaminating
materials” Sponsor: DOD-DTRA (BRBAA07-H-2-0021) Principal Investigator: Hill, C. (Emory) Role: Co-PI
Total award: ~$950,000; Dates of project: 11/01/07 – 10/31/11 ------------------------------------------------- 5. Title: “Solar energy-driven robust multi-electron-transfer catalysts for water splitting”. Sponsor: Department of Energy (DOE: Solar, DE-FG02-07ER-15906)
Principal Investigator: Hill, C. (Emory) Role: Co-PI Total award: ~$1,800,000; Dates of project: 09/01/07 – 08/31/13 ~$600,000 for Musaev’s research ----------------------------------------------------
6. Title: “Fundamental Understanding of Propellant/Nozzle Interaction to Mitigate Erosion for Very High Pressure Missile Propellant Application”, Sponsor: Department of Defense (DOD, Office of Naval Research, MURI): Principal Investigator: K.K. Kuo, (Penn State University, The Mechanical Engineering Depar.),
(Prime # N00014-04-1-0683 and Subaward # 2794-EU-ONR-0683) Role: Co-PI Total award: ~$7,000,000; Dates: 07/01/2004-12/31/2010
~$800,000 for Musaev’s research -----------------------------------------------------
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7. Title: “Theoretical Studies of Structures and Reactions of Transition Metal Atoms, Ions, Complexes and Cluster Complexes” Sponsor: National Science Foundation (NSF: CHE-0209660) Principal Investigator: K. Morokuma (Emory), Role: Co-PI Total award: ~$832,000; Dates: 07/01/98-06/30/06
~$200,000 for Musaev’s research --------------------------------------------------- 8. Title: “Designing of new non-metallocene based catalysts for synthesis of high-density polyethylene:
Joint Experimental and Theoretical Studies.” Sponsor: US Civilian Research and Development Foundation (CDRF-16066) Principal Investigator: C. Hill (Emory), Role: Co-PI Total award: ~$40,000; Dates: 03/01/08-02/28/10
~$8,000 for Musaev’s research --------------------------------------------------- 9. Title: “Computational Methods for Catalyst Design. Development of Group 4 Metallocene
Polymerization Catalysts Based on Theoretical Computation and Experiment.” Sponsor: Phillips Petroleum Company and NIST ATP project, Principal Investigator: K. Morokuma (Emory), Role: Co-PI Total award: ~$500,000; Dates: 9/30/95-9/29/98
~$150,000 for Musaev’s research ---------------------------------------------------- 10. Title: “Acquisition of IBM computer system”,
Sponsor: IBM-SUR (Shared University Research Award) Principal Investigator: K. Morokuma (Emory), Role: Co-PI Total award: ~$625,000; Dates: Sept. 2000
---------------------------------------------------- 11. Title: “Acquisition of Computer Systems for Computational Chemistry and Chem. Physics”,
Sponsor: National Science Foundation-MRI (CHE-0079627) Principal Investigator: K. Morokuma (Emory), Role: Co-PI Total award: ~$300,000; Dates: 10/01/00-9/30/03
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12. Title: “Acquisition of Computer Systems for Computational Chemistry and Chem. Physics”, Sponsor: Air Force Office of Scientific Research Principal Investigator: K. Morokuma (Emory), Role: Co-PI Total award: ~$213,569; Dates: 04/01/04 - 03/31/05
---------------------------------------------------- 13. Title: “Complexity and Simplicity in Chemistry and Beyond: Interplay Theory and Experiment.”
Sponsor: NATO Scientific Council (For NATO workshop in Baku, Azerbaijan, May 26-28, 2008 Principal Investigator: C. Hill (Emory), Role: Co-PI Total award: ~$32,000; Dates: 03/01/08-02/28/09
-------------------------------------------------------- 14. Multiple Deals with the vendors (IBM, SUN, SGI, Microwaves, Schrodinger Inc., etc.) Total: ~1 mil.
