R Parthasarathi, Ph.D. Vishvigyan Bhavan, Principal Scientist 31, Mahatma Gandhi Marg Computational Toxicology Facility Lucknow - 226 001. Uttar Pradesh, India CSIR-Indian Institute of Toxicology Research Phone: +91-7704994437 https://scholar.google.co.in/citations?user=aC_1Qc0 Email: [email protected] AAAAJ&hl=en&oi=ao R&D Area & Expertise: Computational Predictive Toxicology utilizing Bio/Chemi informatics and Computational Biology Tools

Academic Records Bharathiyar University, India Biochemistry B.Sc 1999. Bharathiyar University, India Biochemistry M.Sc 2001. Madras University, India Computational Biochemistry Ph.D. 2007. Indiana University, Bloomington, USA Chemistry Department Postdoc, 2007-2009.

Professional Records . Principal Scientist, CSIR-IITR, 2016–present . Visiting Scientist, École polytechnique fédérale de Lausanne, Switzerland, Sep 2018 . Computational Chemist, Joint BioEnergy Institute, Lawrence Berkeley National Laboratory & Sandia National Laboratories, 2012–2016. . Director’s Fellow, Los Alamos National Laboratories, 2009–2012. . Post-doctoral Research Associate, Indiana University, Bloomington, 2007-2009. . DST-DAAD Exchange research scholar, Technical University of Kaiserslautern, Germany 2006-07. . Visiting Researcher, Jackson State University, Mississippi, 2004-2005 . SRF-Research Associate, Central Leather Research Institute, India, 2001–2007.

SELECTED PUBLICATIONS/PRODUCTS (TOTAL PUBLICATIONS: 101, CITATION: >4500, H-INDEX: 39) 1) Shraddha Pandit, Alok Dhawan and R Parthasarathi, Emerging Computational Methods for Predicting Chemically Induced Mutagenicity, In Mutagenicity: Assays and Applications, Academic Press, 2018, Pages 161-176, ISBN 9780128092521. 2) R Parthasarathi and Alok Dhawan, In Silico Approaches for Predictive Toxicology, In In Vitro Toxicology, Academic Press, 2018, Pages 91-109, ISBN 9780128046678, 3) Jian Sun, R. Parthasarathi, Tanmoy Dutta, Feng Xu, Jian Shi, Blake A. Simmons, and Seema Singh. One-pot integrated biofuel production using low-cost biocompatible protic ionic liquids. Green Chem. 19 (2017) 3152-3163. 4) V Stavila, R. Parthasarathi, Ryan Davis, K. Sale, B. Simmons, S. Singh, Mark D. Allendorf, MOF- Based Catalysts for Hydrogenolysis of Lignin Model Compounds, ACS Catalysis (2016)55–59 (Cover Article). 5) R. Parthasarathi, Jian Sun,Tanmoy Dutta, Ning Sun, Sivakumar Pattathil, Jian Shi, Blake A. Simmons, and Seema Singh. Biomass Activation for Improved Sugar yield at Lower Temperatures using Aqueous Tetrabutylammonium Hydroxide, Biotech for Biofuels 9.1 (2016) 160. 6) J Sun, S Konda, J Shi, R Parthasarathi, T Dutta, F Xu, CD Scown, BA Simmons, S Singh (2016) CO2 enabled process integration for the production of cellulosic ethanol using bionic liquids, Energy and Environmental Science, 9: 2822-2834. 7) Socha, AM, Parthasarathi R, Shi J, Pattathil S, Whyte D, Bergeron M, Venkatachalam S, Hahn MG, Simmons BA, and Singh S (2014) Efficient biomass pretreatment using ionic liquids derived from lignin and hemicellulose, Proceedings of the National Academy of Sciences, 111, E3587-E3595. 8) R. Parthasarathi, G. Bellesia, S. Chundawat, P. Langan, B. E. Dale, S. Gnanakaran, Insights into Hydrogen Bonding and Stacking Interactions in Cellulose, J. Phys. Chem. A 115 (2011) 14191– 14202. (Cover Article)

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9) R. Parthasarathi, R. A. Romero, A. Redondo, S. Gnanarakaran. Theoretical Study of the Remarkably Diverse Linkages in Lignin, J. Phys. Chem. Lett., 2 (2011) 2660–2666. 10) D. W. Cho, R. Parthasarathi, A. S. Pimentel, G. D. Maestas, H. J. Park, U. C. Yoon, D. Dunaway- Mariano, S. Gnanakaran, P. Langan, P. S. Mariano. The Nature and Kinetic Analysis of Carbon- Carbon Bond Fragmentation Reactions of Cation Radicals Derived from SET-Oxidation of Lignin Model Compounds, J. Org. Chem. 75 (2010) 6549–6562 11) R. Parthasarathi, Ye Hi, J. P. Reilly, and K. Raghavachari. New Insights into the VUV Photodissociation of Peptides, J. Am. Chem. Soc. 132 (2010) 1606–1610. 12) R. Parthasarathi, V. Subramanian, N. Sathyamurthy. Hydrogen Bonding Without Borders: An Atoms-In-Molecules Perspective. J. Phys. Chem. (A) 110 (2006) 3349-3351. (Most-Accessed & Most–Cited Articles: 2006) 13) J. Padmanabhan, R. Parthasarathi, V. Subramanian, P. K. Chattaraj. Group Philicity and Electrophilicity as Possible Descriptors for Modeling Ecotoxicity Applied to Chlorophenols. Chem. Res. Toxicol. 19 (2006) 356-364. (Most-Cited Articles: 2006) 14) R. Parthasarathi, R. Amutha, V. Subramanian, B. U. Nair, T. Ramasami. Bader’s and reactivity descriptors’ analysis of DNA base pairs. J. Phys. Chem. (A) 108 (2004) 3817-3828

Patents/Disclosures: 4 filled and 3 granted (International).

Synergistic Activities  Talk & Presentations: >50 presentations at International Conferences & 10 - Invited Talks  Session Chair, Lignin Biosynthesis, Characterization and Modifications: Anselme Payen Award Symposium in Honor of Dr. John Ralph, CELL: Division of Cellulose and Renewable Materials, 247 ACS National Meeting, Dallas, TX. March 16-20, 2014.  Session Chair, Catalysis, 250th American Chemical Society National Meeting & Exposition, August 16-20, 2015, Boston, MA.  Symposia Organizer- Co-Chair, Computational Catalysis, ACS National Meeting, 2016. PA.  Active reviewer for the following journals: Journal of Physical Chemistry & Letters, Energy & Fuels, Journal of the American Chemical Society, Cellulose, Proceedings of the National Academy of Sciences (PNAS), Biotech etc  Department of Energy, USA reviewer - Computational Biology and Bioinformatics and Physical Bioenergy programs (Department of Energy, US Proposal Year:2013)  Principal Investigator: Awarded 200K/year for two years from LANL-LDRD for the fellowship proposal on Nanotoxicity 2009-2011.  Funded Research Grants: LDRD – Awarded on Bio-Emulative MOF-Based Lignin Degradation Catalysts, Proposal Number 15-0458, 550K/year for 3 years – 2014 –(Role: team member - Computational Lead)  DOE BER funded Joint Bioenergy Institute FY12-17 (Part of Biomass Pretreatment: Lead for Computational Chemistry)  Time Allocation Grants: Proposal to DOE’s PNNL-EMSL user facility. 2013-2015-Co-PI, Principal Investigator – NERSC, LBL

HONORS AND AWARDS  LANL- Top 10 Science & Technology Developments of 2010.  Prestigious Director’s Fellowship, Los Alamos National Lab, May 2009.  Young Associate, Indian Academy of Sciences, Bangalore 2008.  Young Scientist, CSIR Foundation day, CLRI, 2007.  2004-2005 Travel grant from CSIR and DST, GOI

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Dr R Parthasarathi Principal Scientist Computational Toxicology Facility Centre for Innovation and Translational Research CSIR-Indian Institute of Toxicology Research, Lucknow-226001, India Mobile : +91-7704994437 E-mail : [email protected], [email protected] https://scholar.google.co.in/citations?user=aC_1Qc0AAAAJ&hl=en&oi=ao

Dr. Parthasarathi is working as a Principal Scientist in CSIR-IITR in the broad area of Computational Toxicology utilizing bio/chemi informatics, computational biology methods and leading Computational Toxicology Facility, Centre for Innovation and Translational Research (CITAR). Prior to joining CSIR Dr Partha worked as a scientist with highly reputed institutions like the Lawrence Berkeley National Labs, Los Alamos National Laboratory and Sandia National Laboratories, USA. He also served as Lead Computational Chemist and Discovery Team developing applied technologies and product/process development at the Joint Bioenergy Institute, USA. Dr. Partha continued his PhD studies at CSIR-CLRI and received his doctorate in the Computational Biochemistry. He has more than 17 years of research experience in applied computational chemistry and biology area and published more than 100 research articles in journals of high repute (H-Index:39, Time cited: > 4500) and four international patents filed from his research contributions. Dr. Parthasarathi has received several awards, including a prestigious Directors Fellowship, Los Alamos National Laboratory (2009) and the Young Associate of Indian Academy of Sciences (2008). His expertise includes computational predictive toxicity development, advanced biofuels, renewable chemicals, bionic liquids and nanotoxicity.

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