You are here: Home → Directory → Graduate Students → Manoj Kumar

Manoj Kumar

Graduate Student Name
Phone: 502-852-2330
Email: chem.manoj@gmail.com
Office: CHEM 135
Advisor: Prof. Pawel M. Kozlowski

Education

BSc 2004, SVSD PG College Bhatoli, Una, Himachal Pradesh, India

MSc 2006, Department of Chemistry, Panjab University, Chandigarh, India

PhD 2007-Spring, 2012, Department of Chemistry, University of Louisville, Louisville, KY, USA.

 

Research Interests

 Molecular modelling of homogenous/heterogenous catalysis
Computational exploration of the structure-reactivity relationship in the complex biological systems

Current Specific Aims:

(i) Understanding the Mechanistic Routes of the Catalytic Cycles of B12-Dependent Enzymes
(ii) Studying the Reactivation Cycles of Methyltransferases and ATP:corrinoid Adenosyltransferases
(iii) Computational Modelling of the B12-Redox Chemistry.
 

Research Highlights


Computationally validated the existance of an unprecedented Co(I)--H Interaction that has significant catalytic relevance for a broad family of methyltransferases and adenosyltransferases.

Fellowships, Honors and Awards


University of Louisville PhD Dissertation Completion Award, Spring 2012.

NSF Travel Award for attending 4th International Workshop and School “Time-Dependent Density-Functional Theory: Prospects and Applications” Benasque, Spain, 2nd - 15th January, 2010.

 

UCSD Travel Award for attending 2009 CTBP Summer School, UCSD, La Jolla, San Diego, 4th - 7th August, 2009.

University of Louisville Presitigous Graduate Fellowship, fall 2007 - fall 2008.

Department of Science and Technology (Govt. of India) Award (DST) for attending 18th meeting of “Noble Laureates and Students in Chemistry”, Lindau, Germany, 25th - 30th June, 2006.

Rajiv Gandhi National Talent Research Scholar Award (in the category of Theoretical Sciences), 2005, JNCASR, Bangalore.

Gold Medalist, BS 2004.

National Merit Scholarship, 1999-2004.

State Merit Scholarship, 1994-1999.

 

Significant Research Publications 


1. Manoj Kumar, Neeraj Kumar, Hajime Hirao and Pawel M. Kozlowski, “Co2+/Co1+ Redox Tuning in Methyltransferases Induced by a Conformational Change at the Axial Ligand", Inorg. Chem. 2011 (being Revised).

2. Pawel M. Kozlowski, Takashi Kamachi, Manoj Kumar, and Kazunari Yoshizawa, “Intial Step of B12-Dependent Enzymatic Catalysis: Energetic Implications Regarding the Involvement of One-Electron Reduced form of Adenosylcobalamin Cofactor”, J. Biol. Inorg. Chem. 2011 (in press).

3. Manoj Kumar, and Pawel M. Kozlowski, “A Biologically Relevant Co1+--H Bond: Possible Implications in the Protein-Induced Redox Tuning of Co2+/Co1+ Reduction”, Angew. Chem. Int. Ed. 2011, 50, 8705-8707.

4. César A. Masitas, Manoj Kumar, Mark S. Mashuta, Pawel M. Kozlowski and Craig A. Grapperhaus “Controlled Sulfur Oxygenation of the Ruthenium Dithiolate (bmmp-TASN)RuPPh3 under Limiting O2 Conditions Yields Thiolato/Sulfinato, Sulfenato/Sulfinato, and Bis-Sulfinato Derivatives”, Inorg. Chem. 2010, 49, 10875-10881.

5. Pawel M. Kozlowski, Takashi Kamachi, Manoj Kumar, Tomonori Nakayama and Kazunari Yoshizawa, “Theoretical Analysis of Diradical Nature of Adenosylcobalamin Cofactor–Tyrosine Complex in B12-Dependent Mutases: Inspiring PCET driven Enzymatic Catalysis”, J. Phys. Chem. B 2010, 114, 5928-5939.

6.  Manoj Kumar and Pawel M. Kozlowski, “Role of Tyrosine Residue in the Activation of Co-C bond in Coenzyme B12-Dependent Enzymes: Another Case of Proton-Coupled Electron Transfer?”, J. Phys. Chem. B 2009, 113, 9050-9054.

7. Pawel M. Kozlowski, Manoj Kumar,  Piotr Piecuch, Wei Li, Piotr Lodowki, and Maria Jaworska,“The Co-C Bond Dissociation in Methylcobalamin: New Benchmark Analysis Based on DFT, CASSCF/CASPT2 and Completely Renormalized Coupled-Cluster Calculations.”, being revised with respect to the J. Chem. Theory Comput.

 

Document Actions
 
Personal tools