The University of Iowa

Claudio J. Margulis

Claudio J. Margulis
Associate Professor
118 IATL
  • B.A., Universidad de Buenos Aires (1996)
  • Ph.D., Boston University (2001)
  • Post Doc., Columbia University (2001-2003)

Computational and Theoretical Chemistry, Room-Temperature Ionic-Liquids, Sugar-Protein Interactions.

Research Interests: 

The research in my group focuses mainly on two areas; the structure and dynamics of novel materials called room-temperature ionic liquids and the association of sugars and proteins.
Modern ionic liquids are salts that are liquid at room temperature. We are interested in understanding their organizational patterns, the dynamics of solutes dissolved in them as well as electron transfer processes and other dynamical properties. We are also very interested in analyzing and predicting x-ray scattering experiments as these tell us about short and long range order in these complex systems.
Carbohydrates are important recognition agents. We are currently interested in cyanovirin and its mutants. This protein binds carbohydrates on the surface of the HIV virus.

Recent Publications: 
  1. Communication: Anomalous Temperature Dependence of the Intermediate Range Order in Phosphonium Ionic Liquids. Jeevapani Hettige, Hemant K. Kashyap, Claudio Margulis J. Chem. Phys., 140, 111102, 2014
  2. The Role of Glu41 in the Binding of Dimannose to P51G-m4-CVN. Sai Kumar Ramadugu, Zhen Li, Hemant Kashyap, Claudio Margulis. Biochemistry, 53 (9), pp 1477–1484, 2014 DOI: 10.1021/bi4014159
  3. Dynamics of Excess Electronic Charge in Aliphatic Ionic Liquids Containing the Bis(trifluoromethylsulfonyl)amide Anion. Changhui Xu, Aleksander Durumeric, Hemant K. Kashyap, Jorge J. Kohanoff, and Claudio Javier Margulis. J. Am. Chem. Soc., 135 (46), pp 17528–17536, 2013 DOI: 10.1021/ja409338z
  4. Structure of 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)amide Ionic Liquids with Linear, Branched and Cyclic Alkyl Groups. Kashyap, Hemant; Santos, Cherry; Murthy, N. Sanjeeva; Hettige, Jeevapani; Ramati, Sharon; Kerr, Kijana; Gwon, JinHee; Gohdo, Masao; Lall-Ramnarine, Sharon; Wishart, James; Margulis, Claudio; Castner, Edward. J. Phys. Chem. B, 117 (49), pp 15328–15337, 2013 DOI: 10.1021/jp403518j
  5. How does the Ionic Liquid Organizational Landscape Change when Nonpolar Cationic Alkyl Groups Are Replaced by Polar Isoelectronic Diethers? Hemant Kashyap, Cherry Santos, Ryan Daly, Jeevapani Hettige, N. Murthy, Hideaki Shirota, Edward Castner Jr., Claudio J. Margulis. J. Phys. Chem. B, 117 (4), pp 1130–1135, 2013 DOI: 10.1021/jp311032p
  6. Anions, the Reporters of Structure in Ionic Liquids. Jeevapani J. Hettige, Hemant K. Kashyap, Harsha V. R. Annapureddy and Claudio J. Margulis. J. Phys. Chem. Lett., 4 (1), pp 105–110, 2013 DOI: 10.1021/jz301866f
  7. Theoretical Deconstruction of the X-ray Structure Function Exposes Polarity Alternations in Room Temperature Ionic Liquids. H. K. Kashyap and C. J. Margulis. For the 222nd ECS Meeting in Honolulu, Hawaii. ECS Transactions, 50 (11), 301–307, 2012. doi:10.1149/05011.0301ecst
  8. SAXS Anti-Peaks Reveal the Length-Scales of Dual Positive/Negative and Polar/Apolar Ordering in Room-Temperature Ionic Liquids. Hemant K. Kashyap, Jeevapani J. Hettige, Harsha V. R. Annapureddy and Claudio J. Margulis. ChemComm (Special Issue on Ionic Liquids), 48, 5103-5105, 2012 DOI: 10.1039/C2CC30609C
  9. Temperature-dependent structure of ionic liquids : X-ray scattering and simulations. Hemant K. Kashyap, Cherry S. Santos, Harsha V. R. Annapureddy, N. Sanjeeva Murthy, Claudio J. Margulis and Edward W. Castner, Jr. Faraday Discussions, 154, 133,  2012 (Advance Article, Accepted 15 Jun 2011, published on web Jul 19, 2011) DOI: 10.1039/C1FD00059D
  10. Dry Excess Electrons in Room-Temperature Ionic Liquids. Claudio Javier Margulis , Harsha V. R. Annapureddy , Pablo Martin De Biase , David Coker , Jorge Kohanoff, and Mario G. Del Popolo, Journal of the American Chemical Society, 2011, 133 (50),  20186–20193 DOI: 10.1021/ja203412v
  11. Searching and Optimizing Structure Ensembles for Complex Flexible Sugars. Junchao Xia, Claudio J. Margulis, and David A. Case. Journal of the American Chemical Society (Communication), 2011, 133 (39), 15252–15255 DOI: 10.1021/ja205251j