Mangesh Chaudhari

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Postdoctoral Appointee


Bachelor’s Degree: Oils, Oleochemicals and Surfactants; Institute of Chemical Technology, Mumbai, India (2002-2006)

Doctoral Degree: Chemical Engineering; Tulane University (2008-2013)

Postdoctoral Fellowships: Sandia National Laboratories (2014-present)

During Chaudhari’s doctoral studies at Tulane University, he worked on molecular simulations of polymer solutions. His thesis was titled "Molecular Simulations to Study Thermodynamis of Poly-(ethylene) Oxide Solutions." Molecular simulations allow researchers to explore experimentally inaccessible regions. His research interests were focused on developing new, more efficient oil spill dispersants.

Research Interests

  • Chemical Recognition on Lipid Membranes Recognition events at the membrane surface initiate important cellular processes, such as endocytosis, immunological synapse formation, and antigen binding. Interactions of signaling molecules, viral particles, and other biomolecules to membrane receptors reorganize membrane components to form supramolecular complexes that perform a specific mechanical (e.g., endocytosis) or chemical activity (e.g., enzymatic cleavage).  We have studied host-guest interactions on lipid films and recognition-induced mechanical processes in minimal systems in an effort to understand how binding events affect membrane behavior.  Examples include chemical recognition on lipid films resulting in molecular aggregation via multivalent binding interactions or curvature induced on membrane domains through steric interactions of surface bound proteins.  We continue to pursue the understanding of forces that drive in-plane organization of molecular complexes and how to generate novel supramolecular membrane complexes from these interactions. Relevant Publications:
    • “Cholesterol-Enriched Domain Formation Induced by Viral-Encoded, Membrane-Active Amphipathic Peptide” Hanson, J. M.; Gettel, D. L.; Tabaei, S. R.; Jackman, J.; Kim, M. C.; Sasaki, D. Y.; Groves, J. T.; Liedberg, B.; Cho, N.-J.; Parikh, A. N. J. 2016, 110, 176-187.
    • “Targeting Proteins to Liquid-Ordered Domains in Lipid Membranes” Stachowiak, J. C.; Hayden, C. C.; Sanchez, M. A. A.; Wang, J.; Bunker, B. C.; Voigt, J. A.; Sasaki, D. Y.  Langmuir  2011, 27, 1457 – 1462. (Invited article – Special Issue on Supramolecular Chemistry at Interfaces)
    • “Synthetic Polypeptide Adsorption to Cu-IDA Containing Lipid Films:  A Model for Protein-Membrane Interactions”  M. S. Kent, H. Yim, J. K. Murton, D. Y. Sasaki, B. D. Polizzotti, M. B. Charati, K. L. Kiick, I. Kuzmenko, S. Satija, Langmuir  2008, 24, 932 – 942.
    • “In Situ Scanning Probe Microscopy Studies of Tetanus Toxin-Membrane Interactions” A. L. Slade, J. S. Schoeniger, D. Y. Sasaki, C. M. Yip, Biophys. J., 2006, 91, 4565 – 4574.
    • “Direct Observation of Substrate-Enzyme Complexation by Surface Forces Measurement” Takehiro Suzuki, Yuan-Wei Zhang, Tanetoshi Koyama, Darryl Y. Sasaki, Kazue Kurihara, J. Am. Chem. Soc. 2006, 128. 15209 – 15214.
  • Designing Lipids for Phase Selectivity Fluorescent probes are often used to label membranes in order to identify microdomains involved in cellular processes. However, predicting which probe can selectively label specific microdomains has been problematic due to a poor understanding of the relationship between molecular structure and domain partitioning behavior.  Most commercially available fluorescent-labeled lipids partition selectively to the liquid disordered phase (Ld), but most microdomains of interest are considered to exist in the liquid ordered phase (Lo).  Our work has thus focused on developing lipid designs that target the (Lo) phase.  Our results have found that an interplay between several factors determine phase selectivity, including the packing parameters of the lipid tail, headgroup hydrophobicity, and spacer chemistry.  We demonstrate with biotin and fluorescent tags and that we can achieve excellent control and predictability in phase partitioning with our lipid designs, thus allowing selective labeling of microdomains with proteins and optical probes. Relevant Publications:
    • “Engineering Lipid Structure for Recognition of the Liquid Ordered Membrane Phase” Bordovsky, Stefan S.; Wong, Christopher S.; Bachand, George D.; Stachowiak, Jeanne C., Sasaki, Darryl Y. Langmuir 2016, 32, 12527-12533. (Invited article – Special Issue in tribute of Prof. Toyoki Kunitake)
    • “Designing lipids for selective partitioning into liquid ordered membrane domains” Momin, N.; Lee, S.; Gadok, A. K.; Busch, D. J.; Bachand, G. D.; Hayden, C. C.; Stachowiak, J. C.; Sasaki, D. Y. Soft Matter 2015, 11, 3241-3250.
    • “Directed Formation of Lipid Membrane Microdomains as High Affinity Sites for His-Tagged Proteins” Carl C. Hayden, Jane S. Hwang, Elisa A. Abate, Michael S. Kent, Darryl Y. Sasaki, J. Am. Chem. Soc., 2009, 131(25), 8728 – 8729.
  • Membrane Curvature Lipid membranes provide a dynamic substrate for biomolecular interactions that underlies environmental response and compartmentalized function in cells.  Highly curved membrane structures are critical for a variety of cellular processes including endocytosis, cytoskeletal protrusion, organelle synthesis, and cell division.  Curved membrane assemblies such as lipid tubules and buds have also been of interest as controllable nanomaterials such as scaffolds for biological-synthetic hybrid materials and conduits to move species within nano-fluidic networks.  For this area of research, we have explored the collaborative interaction between proteins and lipid domains that result in membrane curvature by developing simplified synthetic model systems in giant unilamellar vesicles. Relevant Publications:
    • “Dynamics of Crowding-Induced Mixing in Phase Separated Lipid Bilayers” Zeno, Wade F.; Johnson, Kaitlin E.; Sasaki, Darryl Y.; Risbud, Subhash H.; Longo, Marjorie L. Phys. Chem. B 2016, 120, 11180-11190.
    • “Nanoscale Patterning of Membrane-Bound Proteins Formed through Curvature-Induced Partitioning of Phase-Specific Receptor Lipids” Ogunyankin, M. O.; Huber, D. L.; Sasaki, D. Y.; Longo, M. L., Langmuir 2013, 29, 6109-6115.
    • “Membrane bending by protein-protein crowding” Stachowiak, J. C.; Schmid, E. M.; Ryan, C. J.; Ann, H. S.; Sasaki, D. Y.; Sherman, M. B.; Geissler, P. L.; Fletcher, D. A.; Hayden, C. C. Nature Cell Biol.  2012, 14(9), 944 – 949.
    • “Orientation of Lipid Domains in Giant Vesicles Using an Electric Field” Zendejas, F. J.; Meagher, R. J.; Stachowiak, J. C.; Hayden, C. C.; Sasaki, D. Y.  ChemComm 2011, 47(26), 7320 – 7322. (Invited article – Special Issue on Supramolecular Chemistry)
    • “Steric Confinement of Proteins on Lipid Membranes Can Drive Curvature and Tubulation” Stachowiak, Jeanne C.; Hayden, Carl C.; Sasaki, Darryl Y., Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(17), 7781 – 7786.
  • Actuated Nanocomposites Nature abounds with intricate composite architectures composed of hard and soft materials synergistically intertwined to provide both useful functionality and mechanical integrity.  Recent synthetic efforts to mimic such natural designs have focused on nanocomposites.  In this area we have investigated the mechanically responsive behavior of polydiacetylene films and have developed novel functionalized diacetylene amphiphiles that self-assemble into hexagonal, cubic, or lamellar structures in silica sol-gel materials.  The resultant conjugated polymer/silica nanocomposite films offer unique insights into the interplay between the dynamic organic structural agents and the static inorganic scaffold that they organize.  For example, one of our nanocomposite materials exhibits unique thermal-, mechano-, and solvato-chromic properties resulting in rapid and reversible optical behavior previously unreported for polydiacetylene materials. Relevant Publications:
    • “Polydiacetylene Films:  A Review of Recent Investigations into Chromogenic Transitions and Nanomechanical Properties” R. W. Carpick, D. Y. Sasaki, M. S. Marcus, M. A. Ericksson, A. R. Burns, J. Phys.:  Cond. Matt. 2004, 16, R679 – R697.
    • “Functional Nanocomposites Prepared by Self-Assembly and Polymerization of Diacetylene Surfactants and Silicic Acid” Yang, Y., Y. Lu, M. Lu, J. Huang, R. Haddad, G. Xomeritakis, N. Liu, A. P. Malanoski, D. Sturmayr, H. Fan, D. Y. Sasaki, R. A. Assink, J. A. Shelnutt, F. v. Swol, G. P. Lopez, A. R. Burns, and C. J. Brinker. J. Am. Chem. Soc. 2003,125(5),1269 – 1277.
    • “Self-assembly of mesoscopically ordered chromatic polydiacetylene/silica nanocomposites” Yunfeng Lu, Yi Yang, Alan Sellinger, Mengcheng Lu, Jinman Huang, Hongyou Fan, Raid Haddad, Gabriel Lopez, Alan R. Burns, Darryl Y. Sasaki, John Shelnutt, C. Jeffrey Brinker, Nature 2001, 410, 913 – 917.
    • “High Molecular Orientation in Mono- and Trilayer Polydiacetylene Films Imaged by Atomic Force Microscopy” Darryl Y. Sasaki, Robert W. Carpick, Alan R. Burns, J. Coll. Interface Sci. 2000, 229, 490.
  • Delivery of Genetic Tools from Nanostructured Materials Gene editing and gene silencing-based therapeutics are a current strategy towards mitigation of disease and pathogenic threats.  Using CRISPR and siRNA strategies to modify host behavior or directly address the pathogenic organism offers a means to rapidly develop countermeasures that specifically target new and emerging diseases. Therapeutic measures, however, is dependent upon successful in vivo delivery of these large biomacromolecular cargo to target specific organs with good biocirculation and triggered release.  We have been developing strategies to functionalize and coat nanoparticle delivery vehicles for the efficient loading and delivery of CRISPR agents and siRNA.  Our coating techniques demonstrate excellent biocompatibility and triggered release in vitro with current efforts to demonstrate in vivo delivery. Relevant Publications:
    • “Photonic Gene Circuits by Optically Addressable siRNA-Au Nanoantennas” Lee, S. E.; Sasaki, D. Y.; Park, Y.; Xu, R.; Brennan, J. S.; Bissell, M. J.; Lee, L. P. ACS Nano  2012, 6(9), 7770 – 7780.
    • “Biologically Functional Cationic Phospholipid-Gold Nanoplasmonic Carriers of RNA” Somin Eunice Lee, Darryl Y. Sasaki, Thomas D. Perroud, Daniel Yoo, Kamlesh D. Patel, and Luke P. Lee, J. Am. Chem. Soc. 2009, 131(39), 14066 – 14074.
  • Awards, Honors, and Memberships Peter Salamon Young Scientist Award, Telluride Science Research Center (2014 and 2016) First Author Publication Award, Department of Chemical Engineering at Tulane University (2013) First Author Publication Award, Department of Chemical Engineering at Tulane University (2010) IBM Fellowship, Center for Computational Sciences at Tulane University (Academic year 2009-2010) Kapoor’s Trustmerit Scholarship, University Institute of Chemical Technology (2002-2006) Vice President and Treasurer, Tulane Cricket Club (2008-2012) Member, University of New Mexico Cricket Team and Colorado Cricket League (2014-2016) President, Albuquerque Cricket Club (2015) Member, American Chemical Society and American Institute of Chemical Engineers (2009-2015) Member, Electro Chemical Society and American Physical Society (2015-Present)
  • Selected Publications Ang Gao, Liang Tan, Lawrence R. Pratt, Mangesh I. Chaudhari, Susan B. Rempe, Dilip Asthagiri and John Weeks,“The Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects", (Accepted to J. Phys. Chem. Lett.) AjayMuralidharan,Mangesh I. Chaudhari, Lawrence R. Pratt and Susan B. Rempe, “LithiumIon Transport through Model Solid Electrode Interface (SEI) Layer”, (Accepted to Scientific Reports), (2018). Ajay Muralidharan, Mangesh I. Chaudhari, Susan B. Rempe, Gary Hoffman and Lawrence R. Pratt, “Molecular Simulation Results on Charged Carbon-Nanotube Forest Supercapacitors", Chem. Succ. Chem., 11, 1-7, (2018). Mangesh I. Chaudhari and Susan Rempe, “Hydration of Strontium ion and the potassium channel blocking site", J. Chem. Phys., 148, 222831, (2018). Ajay Muralidharan, Lawrence R. Pratt, Mangesh I. Chaudhari and Susan B. Rempe, “Comparison of Single-Ion Molecular Dynamics in Common Solvents", J. Chem. Phys., 148 (22), 222821 (2018). Christopher Baker, Ben Schudel,Mangesh I.Chaudhari, KerrieWu,DerekDunford,Anup Singh, Anson Hatch and Susan Rempe, “Nanoporous hydrogels for the observation of anthrax exotoxin translocation dynamics", ACS App. Mat. & Int. (2018). Mangesh I. Chaudhari, Ajay Muralidharan, Lawrence R. Pratt and Susan B. Rempe, “Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions", Topics of Current Chemistry, 376 (7), (2018). Liang Tan, Lawrence R. Pratt and Mangesh I. Chaudhari, “Molecular-scale Description of SPAN80 Desorption from the Squalane-Water Interface", J. Phys. Chem. B, (2017) Ma Piao, Alfredo Cardenas, Mangesh I. Chaudhari, Ron Elber and Susan B. Rempe, “The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics from Molecular Dynamics Simulations and Milestoning Theory", J. Am. Chem. Soc., 139 (42),14837–14840, (2017).  Mangesh I. Chaudhari, Susan B. Rempe and Lawrence R. Pratt, “Quasi-chemical theory of F−(aq): The 2/5 “no split-shell occupancy rule” revisited", J. Chem. Phys., 147 (16), 161728, (2017). Mangesh I. Chaudhari, Lawrence R. Pratt, and Susan B. Rempe, “Utility of Chemical Computations in Predicting Solution Free Energy of Metal Ions”, Mol. Sim., 110–116, (2017). Mangesh I. Chaudhari, Lawrence R. Pratt, Fernando Soto, Perla Balbuena and Susan B. Rempe, “Scaling Atomic Partial Charges of Carbonate Solvents for LithiumIon (Li+) Solvation and Diffusion”, J. Comput. Theo. Chem., 112, (12), 5709–5718, (2016). Lawrence R. Pratt, Mangesh I. Chaudhari, and Susan B. Rempe, “Statistical Analyses of Hydrophobic Interactions- A Mini Review”, J. Phys. Chem. B, 120, (27), 6455–6460, (2016). Xinli You, Mangesh I. Chaudhari, Susan B. Rempe and Lawrence R. Pratt, “Dielectric properties of ethylene carbonate and propylene carbonate using molecular dynamics simulations”, J. Phys. Chem. B, 120 (8), 1849-1853, (2016). Mangesh I. Chaudhari, Susan B. Rempe, Dilip Asthagiri, Liang Tan, and Lawrence R. Pratt, “Molecular theory for effects of attractive solute forces on hydrophobic interactions”, J. Phys. Chem. B, 120 (8), 1864-1870, (2016). Kevin Leung, Mangesh I. Chaudhari, Susan B. Rempe, Kyle R. Fenton, Harry D. Pratt, Chad L. Staiger and Ganeshan Nagasubramanian, “Density Functional theory and conductivity studies of boron-based anion receptors”, J. Elec. Soc., 162 (9), 1927–1934 (2015). Mangesh I. Chaudhari, Marielle Soniat and Susan B. Rempe, “Octa-coordination and hydrated Barium ion”, J. Phys. Chem. B, 119 (28), 8746-8753 (2015). Mangesh I. Chaudhari, Lawrence R. Pratt, Dubravko Sabo and Susan B. Rempe, “Hydration of Kr(aq) in dilute and concentrated solutions”, J. Phys. Chem B, 119 (29), 9098-9102, (2015). Mangesh I. Chaudhari, Lawrence R. Pratt, andMichael E. Paulaitis, “Loop-closure and gaussianmodels of collective structural characteristics of capped PEO oligomers in water ”, J. Phys. Chem. B, 119 (29), 8863-8867 (2015).  Mangesh I. Chaudhari, M. E. Paulaitis and Lawrence R. Pratt, “Concentration dependence of Flory- Huggins interaction parameter in aqueous solutions of capped PEO chains”, J. Chem. Phys., 141 (24), 244908, (2014). Mangesh I. Chaudhari, Sinead Holleran, Hank S. Ashbaugh and Lawrence R. Pratt, “Direct numerical test of the statistical mechanic theory of hydrophobic interactions”, Proc. Nat. Acad. Sci. USA, 110 (51), 20557–20562 (2013). Xinli You, Mangesh I. Chaudhari, Lawrence R. Pratt, Noshir Pesika, K. L. Aritakula, Steven Rick, “Interfacial Characteristics of Simulated Propylene Carbonate and Validation for Electrochemical Applications”, J. Chem. Phys. 138 (11), 114708 (2013). Mangesh I. Chaudhari, Lawrence R. Pratt and Michael E. Paulaitis, “Communication: Direct observation of hydrophobic bond in loop closure region of capped (-O-CH2-CH2-)n oligomer inwater”, J. Chem. Phys., 133 (23), 221102 (2010).
  • Selected Book Chapters Mangesh I. Chaudhari and Lawrence R. Pratt, “Microstructures of capped ethylene oxide oligomers in water and n-hexane”, book chapter in Oil spill remediation: colloid chemistry based principles and solutions, John Wiley and Sons, Inc., (2012). Xinli You, Mangesh I. Chaudhari, Lawrence R. Pratt, “Comparison ofmechanical and thermodynamical evaluations of electrostatic potential differences between electrolyte solutions”, book chapter in Aqua Incognita: Why Ice Floats onWater and Galileo (2014).
  • Selected Patents Kyle Fenton,Ganeshan Nagasubramanian, Chad Staiger, Harry Pratt, Kevin Leung, Susan Rempe, Mangesh Chaudhari and Travis Mark Anderson, “Organisilicon-based electrolytes for long-life lithium primary batteries", July 2017 (US 2017/0207485 A1).
  • Selected Conference Presentations Mangesh I. Chaudhari, Anson Hatch, and Susan B. Rempe, “Generalized Antitoxin; Hijacking Exotoxin Translocation Machinery”, Chemical and Biological Defense− Science and Technology Conference, Long Beach CA, Nov 2017. Mangesh I. Chaudhari, AjayMuralidharan, Lawrence R. Pratt and Susan B. Rempe, “LithiumIon Transport throughModel Solid Electrolyte Interface (SEI) Layer”, Electrochemical SocietyMeeting, New Orleans,LA, May 2017. Mangesh I. Chaudhari and Susan B. Rempe, “Barium and strontium in aqueous solution and an ionblocking site”, Biophysical society meeting, New Orleans, LA, February 2017. Mangesh I. Chaudhari, Liang Tan, Lawrence Pratt, “Molecular-scale Description of SPAN80 Desorption from the Squalane-Water Interface”, ACS National Meeting, Philadelphia, PA, August 2016. Mangesh I. Chaudhari, Susan Rempe, Lawrence Pratt, “Statistical analyses of hydrophobic interactions”, Telluride Science Research Center workshop:“Hydrophobicity", Telluride, CO, July 2016. Mangesh I. Chaudhari, Ajay Muralidharan, Susan Rempe, Lawrence Pratt, “Lithium ion solvation incarbonate solvents”, Telluride Science Research Center workshop:“Ion solvation", Telluride, CO, July2016. Mangesh I. Chaudhari, Susan Rempe, Juan Vanegas, “Strontium and Barium Ion in Aqueous Solutions and an Ion Channel Blocking Site”, APS Physics meeting, Baltimore, MD, March 2016. Mangesh I. Chaudhari, Susan Rempe, Lawrence Pratt and Xinli You, “Dielectric properties of ethylene carbonate and propylene carbonate”, Electrochemical Society meeting, Phoenix, AZ, October 2015. Mangesh I. Chaudhari, Susan Rempe, Liang Tan, Dilip Asthagiri and Lawrence R. Pratt, “Hydration of classic hydrophobic solutes Kr and Ar”, ACS National Meeting, Boston, MA, August 2015. Mangesh I. Chaudhari, Susan Rempe and Anson Hatch, “Advanced physicochemical understanding of protein partitioning through nonporous”, Chemical and Biological Defense: Science and Technologyconference, St. Louis, MO, June 2015. Mangesh I. Chaudhari and Susan Rempe, “Hydration of Kr(aq) in dilute and concentrated solutions”, poster presentation at the ACS National Meeting, Denver, CO, March 2015. Mangesh I. Chaudhari, Marielle Soniat and Susan B. Rempe, “Quasi-chemical theory for ion solvation”, at Telluride Science Research Center workshop: “Ions in aqueous solutions and molecular biology: Theory, simulation and modeling”, Telluride, CO, July 2014. Mangesh I. Chaudhari and Lawrence R. Pratt, “Direct numerical test of the statisticalmechanical theory of hydrophobic interactions”, AIChE annual meeting, San Francisco, CA, November 2013. Mangesh I. Chaudhari and Lawrence R. Pratt, “Extended Flory-Huggins model for poly-(ethylene) oxide solutions”, AIChE annual meeting, Pittsburgh, PA, November 2012. Mangesh I.Chaudhari and LawrenceR. Pratt, “Parallel Tempering,Windowsampling andQuasi-chemical theory for poly-(ethylene) oxide polymer”, at Telluride Science Research Center workshop: “Algorithmic development on enhanced sampling”, Telluride, CO, June 2012. Mangesh I. Chaudhari and Lawrence R. Pratt, “Microstructures of poly-(ethylene) oxide chain solute in water and n-hexane solutions”, ACS National Meeting, San Diego, CA, March 2012. Mangesh I. Chaudhari, Lu Yang and Lawrence R. Pratt, “Analysis of AFMresults withMD calculationson single molecule stretching of poly-(ethylene) oxide in water and hexane”, AIChE annual meeting,4/5 Minneapolis, MN, October 2011. Mangesh I. Chaudhari, Wei Zhang, Lawrence R. Pratt and Susan Rempe, “Molecular simulation studies of dimethylmethyl phosphonate aqueous solutions”, Poster presentation at Chemical and Biological Defense: Science and Technology conference, Orlando, FL, November 2010. Mangesh I.Chaudhari and LawrenceR. Pratt, “End pairing of soluble capped (-O-CH2-CH2-)n oligomers provides accessible direct observation of a hydrophobic bond”, AIChE annual meeting, Salt Lake City, UT, November 2010.