Carnegie Mellon University

Roberto Gil

Roberto R. Gil

Research Professor
Director, NMR Center

  • Mellon Institute 302
  • 412-268-4313


Courtesy appointment:

  • Editor in-Chief, Magnetic Resonance in Chemistry (MRC)


Ph.D. in Chemistry, Córdoba National University, Córdoba, Argentina, 1989
BS/MS in Organic Chemistry, Córdoba National University, Córdoba, Argentina, 1983


Keywords: Nuclear magnetic resonance spectroscopy (NMR), residual dipolar coupling (RDC), residual chemical shift anisotropy (RCSA), 2H residual quadrupolar coupling (RQC), anisotropic polymer gels, natural products, characterization of nucleic acids, peptides, synthetic polymers, and small molecules

ResearcherID: A-4758-2008


  • Development of New NMR Methodologies for the Analysis of Small Molecules in Anisotropic Media. Residual Dipolar Coupling (2H RDC), Residual Chemical Shift Anisotropy (RCSA) and 2H Residual Quadrupolar Coupling (2H RQC).
  • Development of New Polymer Gels as Alignment Media for Small Molecules in Organic Solvents.
  • Characterization of the Structure and Physical Properties of Synthetic Polymers by NMR.
  • Structure Elucidation of Bioactive Natural Products from Plants.
  • NMR Analysis if Small Fragments of Peptide Nuclei Acids and DNA Duplexes.


Cross-Linked Poly-4-Acrylomorpholine: A Flexible and Reversibly Compressible Aligning Gel for Anisotropic NMR Analysis of Peptides and Small Molecules in Water
Farley, Kathleen A.; Koos, Martin R. M.; Che, Ye; Horst, Reto; Limberakis, Chris; Bellenger, Justin; Lira, Ricardo; Gil-Silva, Leandro F.; Gil, Roberto R. From Angewandte Chemie, International Edition (2021), Ahead of Print. DOI:10.1002/anie.202106794

Deuterium Residual Quadrupolar Couplings: Crossing the Current Frontiers in the Relative Configuration Analysis of Natural Products
Lesot, Philippe; Gil, Roberto R.; Berdague, Philippe; Navarro-Vazquez, Armando Journal of Natural Products (2020), 83(10), 3141-3148. DOI:10.1021/acs.jnatprod.0c00745

Reference-free NOE NMR analysis
Koos, Martin R. M.; Schulz, Karl H. G.; Gil, Roberto R. Chemical Science (2020), 11(36), 9930-9936. Language: English, Database: CAPLUS, DOI:10.1039/d0sc02970j

Computer-Assisted 3D Structure Elucidation (CASE-3D): The Structural Value of 2JCH in Addition to 3JCH Coupling Constants
Koos, Martin R. M.; Navarro-Vazquez, Armando; Anklin, Clemens; Gil, Roberto R. Angewandte Chemie, International Edition (2020), 59(10), 3938-3941. DOI:10.1002/anie.201915103

Herpotrichones A and B, Two Intermolecular [4 + 2] Adducts with Anti-Neuroinflammatory Activity from a Herpotrichia Species
Han, Wen-Bo; Wang, Guang-Yi; Tang, Jiang-Jiang; Wang, Wen-Ji; Liu, Han; Gil, Roberto R.; Navarro-Vazquez, Armando; Lei, Xinxiang; Gao, Jin-Ming Organic Letters (2020), 22(2), 405-409. DOI:10.1021/acs.orglett.9b04099

Effect of the solvent on the conformation of monocrotaline as determined by isotropic and anisotropic NMR parameters
de Melo Sousa, Cleyton Marcos; Giordani, Raquel Brandt; de Almeida, Wamberto Alristenio Moreira; Griesinger, Christian; Gil, Roberto R.; Navarro-Vazquez, Armando; Hallwass, Fernando Magnetic Resonance in Chemistry (2021), 59(5), 561-568. DOI:10.1002/mrc.4968

Controlling magnetism of Au133(TBBT)52 nanoclusters at single electron level and implication for nonmetal to metal transition
Zeng, Chenjie; Weitz, Andrew; Withers, Gayathri; Higaki, Tatsuya; Zhao, Shuo; Chen, Yuxiang; Gil, Roberto R.; Hendrich, Michael; Jin, Rongchao Chemical Science (2019), 10(42), 9684-9691. DOI:10.1039/c9sc02736j

A study robust nickel catalyst with an unsymmetrical propyl-bridged diphosphine ligand for catalyst-transfer polymerization
Baker, Matthew A.; Ayuso-Carrillo, Josue; Koos, Martin R. M.; MacMillan, Samantha N.; Varni, Anthony J.; Gil, Roberto R.; Noonan, Kevin J. T. Polymer Journal (Tokyo, Japan) (2020), 52(1), 83-92. DOI:10.1038/s41428-019-0259-3

Shape selective bifacial recognition of double helical DNA
Thadke, Shivaji A.; Hridya, V. M.; Perera, J. Dinithi R.; Gil, Roberto R.; Mukherjee, Arnab; Ly, Danith H. Communications Chemistry (2018), 1(1), 1-10. DOI:10.1038/s42004-018-0080-5

Cyclic Peptide Design Guided by Residual Dipolar Couplings, J-Couplings, and Intramolecular Hydrogen Bond Analysis
Farley, Kathleen A.; Che, Ye; Navarro-Vazquez, Armando; Limberakis, Chris; Anderson, Dennis; Yan, Jiangli; Shapiro, Michael; Shanmugasundaram, Veerabahu; Gil, Roberto R. Journal of Organic Chemistry (2019), 84(8), 4803-4813. DOI:10.1021/acs.joc.8b02811

Application of anisotropic NMR parameters to the confirmation of molecular structure
Liu, Yizhou; Navarro-Vazquez, Armando; Gil, Roberto R.; Griesinger, Christian; Martin, Gary E.; Williamson, R. Thomas From Nature Protocols (2019), 14(1), 217-247. DOI:10.1038/s41596-018-0091-9

Phytochemical study of Senecio volckmannii assisted by CASE-3D with residual dipolar couplings and isotropic 1H/13C NMR chemical shifts
Castro, Sebastian J.; Garcia, Manuela E.; Padron, Jose M.; Navarro-Vazquez, Armando; Gil, Roberto R.; Nicotra, Viviana E. Journal of Natural Products (2018), 81(11), 2329-2337 DOI:10.1021/acs.jnatprod.8b00162

Au10(TBBT)10: The beginning and the end of Aun(TBBT)m nanoclusters
Zeng, Chen-jie; Zhou, Meng; Gayathri, Chakicherla; Gil, Roberto R.; Sfeir, Matthew Y.; Jin, Rongchao Chinese Journal of Chemical Physics (2018), 31(4), 555-562. DOI:10.1063/1674-0068/31/cjcp1806141

NMReDATA, a standard to report the NMR assignment and parameters of organic compounds
Pupier, Marion; Nuzillard, Jean-Marc; Wist, Julien; Schloerer, Nils E.; Kuhn, Stefan; Erdelyi, Mate; Steinbeck, Christoph; Williams, Antony J.; Butts, Craig; Claridge, Tim D. W.; Mikhova, Bozhana; Robien, Wolfgang; Dashti, Hesam; Eghbalnia, Hamid R.; Fares, Christophe; Adam, Christian; Kessler, Pavel; Moriaud, Fabrice; Elyashberg, Mikhail; Argyropoulos, Dimitris; Perez, Manuel; Giraudeau, Patrick; Gil, Roberto R.; Trevorrow, Paul; Jeannerat, Damien Magnetic Resonance in Chemistry (2018), 56(8), 703-715. DOI:10.1002/mrc.4737

Design of Bivalent Nucleic Acid Ligands for Recognition of RNA-Repeated Expansion Associated with Huntington's Disease
Thadke, Shivaji A.; Perera, J. Dinithi R.; Hridya, V. M.; Bhatt, Kirti; Shaikh, Ashif Y.; Hsieh, Wei-Che; Chen, Mengshen; Gayathri, Chakicherla; Gil, Roberto R.; Rule, Gordon S.; Mukherjee, Arnab; Thornton, Charles A.; Ly, Danith H. Biochemistry (2018), 57(14), 2094-2108. Language: English, Database: CAPLUS, DOI:10.1021/acs.biochem.8b00062

Isotropic/Anisotropic NMR Editing by Resolution-Enhanced NMR Spectroscopy
Marco, Nuria; Gil, Roberto R.; Parella, Teodor From ChemPhysChem (2018), 19(9), 1024-1029. Language: English, Database: CAPLUS, DOI:10.1002/cphc.201800094

New Stretching Method for Aligning Gels: Its Application to the Measurement Residual Chemical Shift Anisotropies (RCSAs) without the Need for Isotropic Shift Correction
By Hellemann, Erich; Gil, Roberto R. From Chemistry - A European Journal (2018), 24(15), 3689-3693. Language: English, Database: CAPLUS, DOI:10.1002/chem.201704541

Measurement of residual chemical shift anisotropies in compressed polymethylmethacrylate gels. Automatic compensation of gel isotropic shift contribution
Hallwass, Fernando; Teles, Rubens R.; Hellemann, Erich; Griesinger, Christian; Gil, Roberto R.; Navarro-Vazquez, Armando Magnetic Resonance in Chemistry (2018), 56(5), 321-328. DOI:10.1002/mrc.4711

Computer-Assisted 3D Structure Elucidation (CASE-3D) of Natural Products Combining Isotropic and Anisotropic NMR Parameters
By Navarro-Vazquez, Armando; Gil, Roberto R.; Blinov, Kirill From Journal of Natural Products (2018), 81(1), 203-210. DOI:10.1021/acs.jnatprod.7b00926


Years Position
2012–present Research Professor, Carnegie Mellon University
08/2002–present Director, NMR Center, Department of Chemistry, Carnegie Mellon University
07/2008–2012 Associate Research Professor, Carnegie Mellon University
08/2002–06/2008 Research Scientist (Faculty Track), Carnegie Mellon University
06/2001–08/2002 Associate Professor, Córdoba National University, Córdoba, Argentina
04/2001–08/2002 Associate Dean, College of Chemistry, Córdoba National University
02/2000–02/2001 Visiting Assistant Professor, Carnegie Mellon University
03/1995–06/2001 Assistant Professor, Córdoba National University, Córdoba, Argentina
03/1992–02/1995 Visiting Assistant Professor, University of Illinois at Chicago
07/1989–02/1992 Postdoctoral Fellow, Córdoba National University, Córdoba, Argentina

Awards and Distinctions

Years Award
1996 Top Ten Youngsters of the Year. Granted by the Stock Exchange Market of Córdoba. Córdoba. Argentina.
1996 Top Twelve Outstanding Citizens and/or Institutions of the Year of Catamarca Province - Argentina. Sponsored by the City of Catamarca and Catamarca Province Governments.
1996 CATAMARCA 96. Given to the best of the twelve candidates above. Sponsored by the City of Catamarca and Catamarca Province Governments.
1992 National Research Council of Argentina — 2 year International Fellowship (University of Illinois at Chicago).
1988 National Research Council of Argentina — 4 year Doctoral Fellowship (Córdoba National University, Córdoba, Argentina).
04/1983–12/1983 Undergraduate Research Fellowship. Córdoba National University, Natural Products Laboratory — Organic Chemistry Department.
07/1983–11/1983 Undergraduate Research Fellowship. The Air Force of Argentina to work at the laboratories of the Air Force in Córdoba. Field: UV-Vis and Infrared Spectroscopy.