2010
The Center for Molecular & Engineering Thermodynamics Report Center for molecular & engineering thermodynamics | 2010
Message from the Director
Thermodynamics is a cornerstone of the chemical sciences and chemical engineering. The modern production of chemicals, pharmaceuticals, and fuels relies on the understanding and prediction of the thermophysical properties of chemical species and mixtures that govern phase equilibria, separations, yields and selectivities in chemical processes.
Today, thermodynamics also provides the principal framework for soft matter engineering, including structured and complex fluids, bio-inspired materials and materials formed by self-assembly. The applications of soft materials are ubiquitous, spanning consumer products to agrochemicals, but they are also at the heart of emerging frontiers in biotechnology, energy and nanotechnology. To serve these needs, the Center for Molecular and Engineering Thermodynamics (CMET) serves as a focal point for research in thermodynamics and its broad scientific and engineering applications.
I am pleased to present this report, which describes the research and education activities of CMET over the past year. During this period, CMET expanded through the addition of five new faculty members from the departments of Materials Science and Engineering and Chemical Engineering. They are Kristi Kiick, Darrin Pochan, Michael Mackay, Thomas Epps and Christopher Roberts. Their research and expertise, detailed in the pages that follow, reflect the growing breadth and impact of CMET. The Center also welcomed a new Administrative Assistant, Cinda Younce.
CMET represents an internationally recognized community of talented faculty, students and postdocs at Delaware with unique expertise and resources. This report will give you a sense of the breadth of cutting edge research initiatives, discoveries, inventions, and innovations in the center. We welcome you to join us, whether it’s as a collaborator, student or research sponsor.
Eric M. Furst Director, CMET
2 Center for molecular & engineering thermodynamics | 2010 Introduction
The Center for Molecular & Engineering Thermodynamics
2 Introduction 24 Postdocs
6 Faculty 26 Research Grants
18 Alumni 30 Facilities & Resources
20 PHD Candidates 34 Recent Seminars
Content Manager: Cinda Younce Graphic Design: Sarah Rosenthal, Carrie Qualls Photography: Ambre Alexender, Kathy Atkinson, Doug Baker, Jon Cox, Keith Heckert, Tyler Jacobson, Evan Krape, Kevin Quinlan Printing: University Printing
3 Center for molecular & engineering thermodynamics | 2010
NEED NEW IMAGE
Electric field assembly of colloidal crystals viewed through cross-polarizers.
4 Center for molecular & engineering thermodynamics | 2010 introduction
Sponsoring CMET
CMET welcomes industrially supported grant and contract research, collaborative projects with industrial scientists and engineers, and industrial sabbaticals and exchanges of research personnel. Sponsored CMET projects have access to state of the art facilities, including many novel experiments, unique equipment and computational resources, as well as the complementary expertise of the CMET faculty and researchers.
Sponsored research enhances the education of our Faculty engagement: CMET can facilitate connections students and enables you to build relationships with with faculty experts to arrange off-campus visits. CMET talented engineers and scientists in training. Other benefits will also coordinate visits to the University of Delaware include: campus to discuss topics jointly with several faculty, enabling immediate access to multiple perspectives and • Rapid access to research discoveries. expertise.
• Expertise and resources to understand and solve short, Contract research: Suitable for short-term medium and long-term research and development characterization and analysis using the research resources challenges. of the CMET faculty. The project scope is limited.
Several levels of commitment are available, depending on Center affiliates: Annual CMET contributions and your organization’s current and future needs. gifts-in-kind, typically $10,000 or more to the Center or contributions to individual faculty totaling $25,000 Open innovation: Research focused on emerging areas or more, are used to support the general research and or underlying engineering science. Research projects are teaching missions, including graduate research, student typically a 3-4 year commitment that support graduate participation at national and international research research in the center, contributions to the science and conferences, seed grants for exploratory research, new engineering literature and the development of intellectual equipment purchases and equipment maintenance and property. upgrades.
Short term grant: A 1-2 year project with support CMET will coordinate collaborative research, visiting for a postdoctoral researcher and faculty participation. scientist and material transfer agreements with congizant Such projects are in-depth, often to understand underlying University offices. fundamental phenomena in an engineering problem or study the feasibility of a novel concept, and may include the development of new experiments or experimental techniques.
5 Center for molecular & engineering thermodynamics | 2010
Douglas J. Doren
Research Interests
Theoretical and computational exploration of new chemical reactions for semiconductors, photocatalysis, selective oxidation and polymerization reactions, and first-principles calculations of solvation energies
Recent Awards, Honors, and Accomplishments
• Chair, Search Committee, Chaired Professorship in Energy (2009–2010)
• R&D Task Force, Delaware Health Sciences Alliance (2008–present)
• Steering Committee, Delaware Valley Institute for Clinical and Translational Science (2008–present)
• Associate Dean for • Organizer, Nobel Prize Symposium (2007–present) Research, College • Associate Director, Center for Catalytic Science and Technology (1996–present) of Arts & Sciences Recent Publications • Interim Associate Dean • A. M. Shough, D. J. Doren, and B. Ogunnaike, “Transition Metal Substitution in ETS-10: DFT Calculations and a Simple Model for Electronic Structure for the Natural Sciences, Prediction,” Chem. Materials, 21, 1232 (2009). • M. J. Nash, R. F. Lobo, and D. J. Doren, “Photocatalytic oxidation of ethylene by College of Arts & Sciences ammonium exchanged ETS-10 and AM-6,” Appl. Catalysis B-Environmental, 88, 232 (2009).
• Professor of Chemistry • K. Ooms, T. Polenova, A. M. Shough, D. J. Doren, M. J. Nash, and R. F. Lobo, “Identification of Mixed Valence Vanadium in ETS-10 Using Electron and Biochemistry Paramagnetic Resonance, V-51 Solid-State Nuclear Magnetic Resonance, and Density Functional Theory Studies,” J. Phys. Chem. C, 113, 10477 (2009).
Education • R. Lobo, M. Nash, A.M. Shough, D. Fickel, D.J. Doren, “High-Temperature • Ph.D.–Harvard University (1986) Dehydrogenation of Brønsted Acid Sites in Zeolites,” J. Am Chem.Soc., 130, 2460 (2008). • AM–Harvard University (1981) • W. Liu, R.H. Wood, D.J. Doren, “Sodium Chloride in Supercritical Water as • BS–University of California, Berkeley a Function of Density: Potentials of Mean Force and an Equation for the (1979) Dissociation Constant from 723 to 1073 K and from 0 to 0.9 g/cm3,” J. Phys. Chem. B. 112, 7289 (2008).
Contact • A.M. Shough, D. J. Doren, D.M. Di Toro, “Polyfunctional Methodology for Improved DFT Thermochemical Predictions,” J. Phys. Chem. 112, 10624 (2008).
P: (302) 831–2793 • H. Dong, W. Liu, D.J. Doren, R.H. Wood, “Structure of an Accurate ab Initio E: [email protected] Model of the Aqueous Na+ Ion at High Temperatures,” J. Phys. Chem B 112, www.udel.edu/doren 13552 (2008).
6 Center for molecular & engineering thermodynamics | 2010 Faculty
Thomas H. Epps, III
Research Interests
Self-assembling polymers, nanostructured materials, fuel cell and battery membranes, nanotemplates, and solution-assembling materials for drug delivery
Recent Awards, Honors and Accomplishments
• Presidential Early Career Award for Scientists & Engineers–Department of Defense, 2009
• Air Force Young Investigator Award, 2009
• College of Engineering Outstanding Junior Faculty, University of Delaware, 2009 • Invited Lecturer “Manipulating Ordering in Block Copolymer Systems Using • Assistant Professor of Interface Modifications”, Gordon Research Conference (GRC), Polymers East, South Hadley, MA, June 2009 Chemical Engineering • Invited Panelist - ACCESS Alumni Panel Massachusetts Institute of Technology (MIT) (Chemical Engineering), Cambridge, MA, October 24, 2009 Education
• National Academy of Engineering (NAE) Frontiers of Engineering, 2008 • Ph.D.–University of Minnesota (2004)
• National Science Foundation (NSF) CAREER Award, 2007 • MS–Massachusetts Institute of Technology (1999) Recent Publications • BS–Massachusetts Institute of • Albert, J. N. L.; Baney, M. J.; Stafford, C. M.; Kelly, J. Y.; Epps, T. H., III, “Facile Technology (1998) Generation of Generating Surface Energy Gradients for Thin Film Studies,” ACS Nano, 3(12), 3977-3986 (2009). Contact • M. Stefik, S. Mahajan, H. Sai, T. H. Epps, III, F. S. Bates, S. M. Gruner, F. J. DiSalvo, and U. Wiesner, “Ordered three- and five-ply nanocomposites from ABC block P: (302) 831-0215 terpolymer microphase separation with niobia and aluminosilicate sols,” E: [email protected] Chemistry of Materials, 21(22), 5466-5473 (2009). www.che.udel.edu/research_groups/epps • M. S. Tureau and T. H. Epps, III, “Nanoscale Networks in Poly(isoprene-b- styrene-b-methyl methacrylate) Triblock Copolymers,” Macromolecular Rapid Communications, 30(20) 1751-1755 (2009).
• N. Singh, M. S. Tureau, and T. H. Epps, III, “Manipulating Ordering Transitions in Interfacially Modified Block Copolymers,” Soft Matter, 5(23) 4757-4762 (2009).
• W. Young and T. H. Epps, III, “Salt doping in PEO-containing block copolymers: counterion and concentration effects,” Macromolecules, 42 (7); 2672-2678 (2009).
7 Center for molecular & engineering thermodynamics | 2010
Eric M. Furst
Research Interests
Colloids and polymers, microrheology, interfacial phenomena, directed assembly of nanomaterials, electrokinetics
Recent Awards, Honors and Accomplishments
• European Union Erasmus Mundus Scholar, 2009
• Society of Rheology Publications Award, 2008
• Outstanding Junior Faculty Member for the College of Engineering, 2007
• Keynote Lecture “Microrheology and rapid screening of therapeutic hydrogelators,” Joint meeting of the Belgian Group of Rheology and Dutch Rheological Society, Rotterdam, The Netherlands, April 2009
• Director of CMET • Keynote Lecture “Microrheology of hydrogelation and its application to high- throughput screening,” EU SoftComp Annual Meeting, Venice, Italy, May 2009 • Associate Professor of Chemical Engineering Recent Publications • K. M. Schultz, A. Baldwin, L. L. Kiick and E. M. Furst, “Gelation of covalently cross-linked PEG-heparin hydrogels,” Macromolecules, 42 (14), 5310–5316 Education (2009). DOI: 10.1021/ma900766u
• Ph.D.–Stanford University (2000) • J. P. Singh, P. P. Lele, F. Nettesheim, N. J. Wagner and E. M. Furst, “One-and tow- • MS–Stanford University (1996) dimensional assembly of colloidal ellipsoids in ac electric fields,” Phys. Rev. E 79, 050401R, (2009). DOI: 10.113/PhysRevE.79.050401 • BS–Carnegie Mellon University (1995) • I. Sriram, R. DePuit, T. M. Squires and E. M. Furst, “Small amplitude active oscillatory microheology of a colloidal suspension,” J. Rheol. 53, 357-381 (2009). Contact • K. M. Schultz, A. Baldwin, K. L. Kiick and E. M. Furst, “Rapid rheological P: (302) 831-0102 screening to identify conditions of biomaterial hydrogelation,” Soft Matter 5, 740–742, (2009). DOI: 10.1039/b818178k E: [email protected] www.che.udel.edu/furst • P. P. Lele and E. M. Furst, “Assemble-and-stretch approach for creating two- and three-dimensional structures of anisotropic particles,” Langmuir, 25, 8875 (2009). DOI: 10.1021/la901743q
• M. Mittal and E. M. Furst, “Electric field-directed convective assembly of ellipsoidal colloidal particles to create optically and mechanically anisotropic thin films,” Adv. Funct. Mater, 19, 3271-3278 (2009). DOI: 10.1002/ adfm.200900908
• T. L. Larsen, M. Branco, J. P. Schneider and E. M. Furst, “Sequence-dependent gelation kinetics of β-hairpin peptide hydrogels,” Macromolecules, 42, 8443- 8450 (2009).
• B. J. Park and E. M. Furst, “Fluid interface templating of two-dimensional colloidal crystals,” Soft Matter, (2009, accepted).
• K. Masschaele, B. J. Park, E. M. Furst, J. Fransaer and J. Vermant, “Finite ion-size effects in the interaction between charged colloidal particles at an oil-water interface,” Phys. Rev. Lett., (2009, submitted).
• I. Sriram, A. Meyer and E. M. Furst, “Active microrheology of a colloidal suspension in the direct collision limit,” Phys. Fluids, (2009, submitted).
8 Center for molecular & engineering thermodynamics | 2010 Faculty
Kristi L. Kiick
Research Interests
Polymer chemistry; biomaterials; biopolymers, hydrogels, drug delivery
Recent Awards, Honors and Accomplishments
• Etter Memorial Lectureship in Chemistry, 2010
• ACS POLY Division Program Chair, 2009–2011
• 2008 NIH Advisory Workshop: Multivalency
Recent Publications
• K. M. Schultz, A. D. Baldwin, K. L. Kiick, and E. M. Furst, “Rapid Rheological Screening to Identify Conditions of Biomaterial Hydrogelation”, Soft Matter, 5, 740-742 (2009). • Associate Professor • S. Liu, R. Maheshwari, and K. L. Kiick, “Polymer Therapeutics”, Macromolecules, of Materials Science 42(1), 3-13 (2009).
• X. Jia and K. L. Kiick, “Hybrid Multicomponent Hydrogels for Tissue & Engineering Engineering”, Macromol. Biosci., 9, 140-156 (2009).
• T. Nie, R. E. Akins, Jr., and K. L. Kiick, “Production of Heparin-Containing Education Hydrogels for Modulating Cell Responses”, Acta Biomaterialia, 5, 865-875 • Ph.D.–University of Massachusetts (2009). (2001) • S. Grieshaber, A. J. E. Farran, S. Lin-Gibson, K. L. Kiick, and X. Jia, “Synthesis and Characterization of Elastin Mimetic Hybrid Polymers with Multiblock, • MS–University of Massachusetts Alternating Molecular Architecture and Elastomeric Properties”, (1998) Macromolecules, 42(7), 2532-2541 (2009). • MS–University of Georgia (1991) • K. T. Wiss, O. D. Krishna, P. J. Roth, K. L. Kiick, and P. Theato, “A Versatile Grafting-To Approach for the Bioconjugation of Polymers to Collagen-Like • BS–University of Delaware (1989) Peptides using an Activated Ester Chain Transfer Agent”, Macromolecules, 42(12), 3860-3863 (2009). Contact • K. M. Schultz, A. D. Baldwin, K. L. Kiick, and E. M. Furst, “Gelation of Covalently Cross-Linked PEG-Heparin Gels”, Macromolecules, 42(14), 5310-5316 (2009). P: (302) 831-0201 E: [email protected] • N. Sharma, A. Top, K. L. Kiick, and D. J. Pochan, “One-Dimensional Gold Nanoparticle Arrays using Template-directed Organization by a Self-Assembled www.mseg.udel.edu/faculty_research/ Polypeptide”, Angew. Chem. Int. Ed., 48 (38), 7078-7082 (2009). faculty_form.php?fnid=3
• O. D. Krishna and K. L. Kiick, “Supramolecular Assembly of Electrostatically Stabilized, Hydroxyproline-Lacking Collagen-mimetic Peptides”, Biomacromolecules, 10(9), 2626-2631 (2009).
• E. Sahin and K. L. Kiick, “Macromolecule-induced assembly of coiled-coils in alternating multiblock polymers”, Biomacromolecules, 10(10), 2740-2749 (2009).
• M. B. Charati, J. Ifkovits, J. A. Burdick, J. G. Linhardt, and K. L. Kiick, “Elastomeric Biomaterials from Resilin-Like Polypeptides”, Soft Matter, 5(18), 3412-3416 (2009).
9 Center for molecular & engineering thermodynamics | 2010
Abraham M. Lenhoff
Research Interests
Separations processes, protein biophysics and bioengineering, colloid and interface science, transport phenomena
Recent Awards, Honors and Accomplishments
• American Chemical Society Award in Separations Science and Technology, 2009
• Alan S. Michaels Award for the Recovery of Biological Products, 2009
• College of Engineering Excellence in Teaching Award, University of Delaware, 2009
Recent Publications • Gore Professor of • A. C. Dumetz, A. M. Chockla, E. W. Kaler and A. M. Lenhoff, “Comparative Chemical Engineering Effects of Salt, Organic and Polymer Precipitants on Protein Phase Behavior and Implications for Vapor Diffusion”, Cryst. Growth Des., 9, 682-691 (2009).
Education • X. Xu, and A. M. Lenhoff, “Binary Adsorption of Globular Proteins on Ion- Exchange Media”, J. Chrom. A, 1216, 6177-6195 (2009). • Ph.D.–University of Wisconsin— • E. I. Trilisky, and A. M. Lenhoff, “Flow-Dependent Entrapment of Large Madison (1984) Bioparticles in Porous Process Media,” Biotech. Bioeng., 104, 127-133 (2009).
• MS–University of Wisconsin— • B. D. Bowes, H. Koku, K. J. Czymmek and A. M. Lenhoff, “Protein Adsorption Madison (1979) and Transport in Dextran-Modified Ion-Exchange Media. I. Adsorption”, J. Chrom. A, 1216, 7774-7784 (2009). • B.Sc. (Eng.)–University of Cape Town (1976) • E. I. Trilisky, H. Koku, K. J. Czymmek and A. M. Lenhoff, “Relation of Structure to Performance Characteristics of Monolithic and Perfusive Stationary Phases”, J. Chrom. A, 1216, 6365-6376 (2009). Contact • Cheng, Y.-C., C. L. Bianco, S. I. Sandler and A. M. Lenhoff, “Salting-Out of P: (302) 831-8989 Lysozyme and Ovalbumin from Mixtures: Predicting Precipitation Performance from Protein-Protein Interactions”, Ind. Eng. Chem. Res., 47, 5203-5213 (2008). E: [email protected] www.che.udel.edu/lenhoff • Lenhoff, A. M., “Multiscale Modeling of Protein Uptake Patterns in Chromatographic Particles”, Langmuir, 24, 5991-5995 (2008).
• To, B. C. S., and A. M. Lenhoff, “Hydrophobic Interaction Chromatography of Proteins. III. Transport and Kinetic Parameters in Isocratic Elution”, J. Chrom. A, 1205, 46-59 (2008).
• Duetz, A. C., R. A. Lewus, A. M. Lenhoff and E. W. Kaler, “Effects of Ammonium Sulfate and Sodium Chloride Concentration on PEG/Protein Liquid-Liquid Phase Separation”, Langmuir, 24, 10345-10351 (2008).
10 Center for molecular & engineering thermodynamics | 2010 Faculty
Michael E. Mackay
Research Interests
Nanoparticle dispersion and segregation, rheology, organic photovoltaics, polymer physics
Recent Awards, Honors and Accomplishments
• Polymer-Nano-Particles Interactions: Concepts, Observations and Applications, organizer for the WE-Heraeus-Seminar with Profs. J. Sommer and M. Stamm, 2010
• Invited Lecturer “Polymer and Nanoparticle Self-Assembly,” Ventura Gordon Conference , 2009
• AIChE Session Organizer in Novel Flows, 2007 • ACS Session Organizer in Polymeric Nanoparticles and Nanostructures, 2007 • Distinguished Professor • Society of Rheology Publication Award, 2001 of Materials Science Recent Publications & Engineering • Tseng, T.-C.; McGarrity, E. S.; Kiel, J. W.; Duxbury, P. M.; Mackay, M. E.; Frischknecht, A. L.; Asokan, S.; Wong, M. S., Three-dimensional liquid surfaces Education through nanoparticle self-assembly. Soft Matter 2010, 7, 1533-1538. • Ph.D.–University of Illinois (1985) • Kiel, J. W.; Kirby, B. J.; Majkrzak, C. F.; Maranville, B. B.; Mackay, M. E., Nanoparticle concentration profile in polymer-based solar cells. Soft Matter • MS–University of Illinois (1983) 2010, 6, 641-646. • BS–University of Delaware (1979) • Liu, J. W.; Mackay, M. E.; Duxbury, P. M., Molecular Dynamics Simulation of Intramolecular Cross-Linking of BCB/Styrene Copolymers. Macromolecules Contact 2009, 42, 8534-8542.
• Burattini, S.; Colquhoun, H. M.; Fox, J. D.; Friedmann, D.; Greenland, B. P: (302) 831-6194 W.; Harris, P. J. F.; Hayes, W.; Mackay, M. E.; Rowan, S. J., A self-repairing, E: [email protected] supramolecular polymer system: healability as a consequence of donor- www.nanoeverything.com acceptor pi-pi stacking interactions. Chem. Comm. 2009, 6717-6719.
• Tuteja, A.; Duxbury, P. M.; Mackay, M. E., Polymer chain swelling induced by dispersed nanoparticles. Phys. Rev. Lett. 2008, 100, 077801 1 - 4.
• Tuteja, A.; Mackay, M. E.; Narayanan, S.; Asokan, S.; Wong, M. S., Breakdown of the continuum Stokes-Einstein relation for nanoparticle diffusion. Nano Letters 2007, 7, 1276-1281.
• McGarrity, E. S.; Frischknecht, A. L.; Frink, L. J. D.; Mackay, M. E., Surface- induced First Order Transition in Athermal Polymer/Nanoparticle Blends. Phys Rev Letters 2007, 99, 238302-1 - 4.
11 Center for molecular & engineering thermodynamics | 2010
Darrin J. Pochan
Research Interests
Polymer physics, self-assembly, biopolymers, peptides, hydrogels, block copolymers, inorganic/organic hybrid materials
Recent Awards, Honors and Accomplishments
• Associate Editor for North America, Soft Matter
• American Physical Society Program Chair, Division of Polymer Physics, American Physical Society national meeting, 2011, Dallas, TX
• Materials Research Society Spring 2010 meeting co-chair, 2010
• John H. Dillon medal, Division of Polymer Physics, American Physical Society, 2007
• College of Engineering Outstanding Young Faculty Award, University of • Professor of Materials Delaware, 2006 Science & Engineering • Keynote Lecture, Polymeric and Self-Assembling Hydrogels: From Fundamental Understanding to Applications in Biology and Medicine, Manchester, United Kingdom, September, 2009 Education
• Ph.D. –University of Massachusetts Recent Publications (1997) • Sharma, N.; Jaffari, G.H.; Shah, S.I.; Pochan, D.J. “ Orientation-dependent • MS –University of Massachusetts magnetic behavior in aligned nanoparticle arrays constructed by coaxial (1995) electrospinning,” Nanotechnology, 21, article 085707 (2009). • BS–University of Wisconsin (1992) • Altunbas, A.; Sharma, N.; Lamm, M.S.; Yan, C.; Nagarkar, R.P.; Schneider, J.P.; Pochan, D.J. “Peptide-Silica Hybrid Networks: Biomimetic Control of Network Mechanical Behavior,” ACS Nano, 4, pp 181-188 (2009). Contact • Sharma, N.; Top, A.; Kiick, K.L.; Pochan, D.J. “One-Dimensional Gold P: (302) 831- 3569 Nanoparticle Arrays by Electrostatically Directed Organization Using Polypeptide Self-Assembly,” Angewandte Chemie, 48, 7078-7082 (2009). E: [email protected] www.mseg.udel.edu/faculty_research/ • Pochan, D.J. “Soft Matter: Spots and Stripes,” Nature Materials, 8, 773-774 (2009). faculty_form.php?fnid=1 • S. Zhong and D. J. Pochan, “Cryogenic transmission electron microscopy for direct observation of polymer and small molecule materials and structures in solution,” Polymer Reviews, (20010, accepted).
12 Center for molecular & engineering thermodynamics | 2010 Faculty
Christopher J. Roberts
Research Interests
Protein biophysics and biotechnology; biopharmaceutical stability; statistical mechanics and thermodynamics; molecular modeling
Recent Awards, Honors and Accomplishments
• Nominated for University Excellence-in-Teaching Award, University of Delaware, 2009
• Top Reviewer Award (one of 24), J. Pharm. Sci., 2008
• College of Engineering Excellence in Teaching Award, University of Delaware, 2008
• AAPS New Investigator Grant in Pharmaceutics and Pharmaceutical Technologies, 2005 • Associate Professor of
Recent Publications Chemical Engineering
• Li, B. A. Ogunnaike, and C. J. Roberts, “Multi-variate approach to global protein aggrega- tion behavior and kinetics: Effects of pH, NaCl, and Education temperature for alpha-chymotrypsinogen A,” Journal of Pharmaceutical • Ph.D.–Princeton University (1999) Sciences, vol. 99, pp. 645–662 (2010) • MA–Princeton University (1996) • E. Sahin, A. O. Grillo, M. D. Perkins, and C. J. Roberts, “Comparative Effects of pH and Ionic Strength on Protein-Protein Interactions, Unfolding, and • BS–University of Delaware (1994) Aggregation for IgG1 Antibodies,” J. Pharm. Sci. (2010, in press).
• T. M. Young and C. J. Roberts, “Structure and thermodynamics of colloidal Contact protein cluster formation: comparison of square-well and simple dipolar models,” J. Chem. Phys. 131 125104/1-9(2009). P: (302) 831-0838
• Y. Li and C. J. Roberts, ”A Lumry-Eyring Nucleated-Polymerization E: [email protected] (LENP) Model of Protein Aggregation Kinetics 2. Competing Growth via www.che.udel.edu/roberts Condensation- and Chain-Polymerization,” J. Phys. Chem. B 113 7020-7032 (2009).
• M. L. Spatara,C. J. Roberts and A. S. Robinson, “Kinetic folding studies of the P22 tailspike beta-helix domain reveal multiple unfolded states,” Biochem. J. 141 214-221 (2009).
• Y. Li, W. F. Weiss, IV, and C. J. Roberts, “Characterization of High Molecular- Weight Nonnative Aggregates and Aggregation Kinetics by Size Exclusion Chromatography with Inline Multi-Angle Laser Light Scattering,” J. Pharm. Sci. 98 3997-4016 (2009).
• W. F. Weiss, IV, T. M. Young, and C. J. Roberts, “Principles, Approaches, and Challenges for Prediction of Protein Aggregation Kinetics and Shelf Life,” J. Pharm. Sci., 98, 1246-1277 (2009, invited review).
13 Center for molecular & engineering thermodynamics | 2010
Stanley I. Sandler
Research Interests
Thermophysical properties and phase equilibria, basic theory, experimental measurements, and supercomputer simulation
Recent Awards, Honors and Accomplishments
• Honorary Professorial Fellow, University of Melbourne (Australia), 2004-2009
• ExxonMobil Professor, National University of Singapore, 2006-2009
• Fellow, Institute of Chemical Engineers (Britain), 2004
• Founders Award, American Institute of Chemical Engineers, 2004
• H.B. duPont Chair of Recent Publications • Babarao, R., Jiang, J. W., Sandler, S. I., “Molecular Simulations for Adsorptive Chemical Engineering Separation of Co2/CH4 Mixture in Metal-Exposed, Catenated, and Charged Metal-Organic Frameworks,” Langmuir, 25 (11), 6590 (2009). • Professor of Chemistry • E. Mullins, Y. A. Liu, R. Oldland, S. Wang, S. I. Sandler, C.-C. Chen, M. Zwolak and K. C. Seavey, “Sigma-Profile Database for Using COSMO-Based Thermodynamic and Biochemistry Methods”, Ind. Eng. Chem. Res., 45, 4389-4415 (2006). • J. W. Jiang and S. I. Sandler, “Monte Carlo Simulation for the Adsorption and • Editor, AIChE Journal Separation of Linear and Branched Alkane in IRMOF-1”, Langmuir 22, 5702- 5707 (2006).
Education • Y.-C.Cheng, R. F. Lobo, S. I. Sandler and A. M. Lenhoff, “Kinetics and Equilibria of Lysozyme Precipitation and Crystallization in Concentrated Ammonium • Ph.D.–University of Minnesota (1966) Sulfate Solutions”, Biotech. Bioeng., 94, 177-188 (2006).
• BS–City College of New York (1962) • G. Arora and S. I. Sandler, “Mass Transport of O2 and N2 in Nanoporous Carbon (C168 schwarzite) Using a Quantum Mechanical Force Field and Molecular Contact Dynamics Simulations” , Langmuir 22, 4620-4628 (2006). • J. Jiang and S. I. Sandler, “Fluids Confined on Carbonaceous Materials: Insights P: (302) 831- 2945 from Molecular Simulation”, Fluid Phase Eq. 228, 189 (2005). E: [email protected] • J. B. Klauda and S. I. Sandler, “Global Distribution of Methane Hydrate in Ocean www.che.udel.edu/sandler Sediment”, Energy and Fuels 19, 459 (2005).
• Y. C. Cheng, R. F. Lobo, S. I. Sandler, and A. M. Lenhoff, “Kinetics and Equilibria of Lysozyme Precipitation and Crystallization in Concentrated Ammonium Sulfate Solutions”, Biotech and Bioeng (2005).
• J. Chang and S. I. Sandler, “Energy of the Solid C60 Orientational Order-disorder Transition”, Phys. Rev. Letters (2005).
14 Center for molecular & engineering thermodynamics | 2010 Faculty
Krzysztof Szalewicz
Research Interests
Theory of intermolecular forces, simulations of condensed phases, spectroscopy of van der Waals molecules, explicitly-correlated methods of molecular structure calculations
Recent Awards, Honors and Accomplishments
• College of Arts & Sciences Outstanding Scholar Award, 2004
Recent Publications
• K. Pernal and K. Szalewicz “Third-order dispersion energy from response functions,” J. Chem. Phys. 130, 034103:1{5 (2009). • M. Przybytek, B. Jeziorski, and K. Szalewicz “Infinite-Order Functional for • Professor of Physics Nonlinear Parameters Optimization in Explicitly Correlated Coupled Cluster Theory,” Int. J. Quantum Chem. 109, 2872{2884 (2009). and Astronomy • R. Podeszwa, B. M. Rice, and K. Szalewicz “Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles,” Phys. Chem. Chem. Education Phys. 11, 5512{5518 (2009). • D.Sc.–University of Warsaw (1984) • W. Cencek, K. Patkowski, and K. Szalewicz “Full-configuration-interaction calculation of three-body nonadditive contribution to helium interaction • Ph.D.–University of Warsaw (1977) potential,” J. Chem. Phys. 131, 064105:1{8 (2009). • MS–University of Warsaw (1973) • K. Pernal, R. Podeszwa, K. Patkowski, and K. Szalewicz “Dispersionless density functional theory,” Phys. Rev. Lett. 103, 263201 (2009). Contact • K. Szalewicz, C. Leforestier, and A. van der Avoird “Towards complete understanding of water by first-principle computational approach,” Chem. P: (302) 831- 6579 Phys. Lett. 482, 1{14 (2009). E: [email protected]
• K. Patkowski, V. Spirko, and K. Szalewicz “On the Elusive Twelfth Vibrational www.physics.udel.edu/~szalewic State of Beryllium Dimer,” Science 326, 1382{1384 (2009).
15 Center for molecular & engineering thermodynamics | 2010
Norman J. Wagner
Research Interests
Nanoscience and nanotechnology, colloid, polymer & surfactant science, complex fluids, rheology, nonequilibrium thermodynamics, directed self-assembly, transport phenomena, molecular simulation and multiscale modeling
Recent Awards, Honors and Accomplishments
• Executive Committee, Neutron Scattering Society of America, 2009 – present
• Executive Committee, Society of Rheology, 10/07-present
• Chair, Department of Chemical Engineering, 7/07-present • Alvin B. and Julia O. • 2005 American Chemical Society Delaware Section Award, January 2006 Stiles Professor of Recent Publications Chemical Engineering • D.P. Kalman and N.J. Wagner. “Microstructure of shear-thickening concentrated suspensions determined by flow-USANS”, Rheologica Acta, 48(8): 897-908 (2009). • Chairperson, • J. M. McMullan and N. J. Wagner, “Directed self-assembly of suspensions by Department of Chemical large amplitude oscillatory shear flow,” Journal of Rheology, 53(3): 575-588, (2009).
Engineering • M. E. Helgeson, M. D. Reichert, Y. T. Hu, and N. J. Wagner, “Relating shear banding, structure, and phase behavior in wormlike micellar solutions,” Soft • Director, Center for Matter, 5(20): 3858-3869 (2009). • M. C. Branco, D. J. Pochan, N. J. Wagner, and J. P. Schneider, “Macromolecular Neutron Science diffusion and release from self-assembled betahairpin peptide hydrogels,” Biomaterials, 30(7): 1339-1347 (2009).
Education • T. W. Fraser Russell, A. S. Robinson, and N. J. Wagner, “Mass and Heat Transfer: • Ph.D.–Princeton University (1988) Analysis of Mass Contractors and Heat Exchangers,” Cambridge University Press (2008). • BS–Carnegie Mellon University (1984)
Contact
P: (302) 831- 8155 E: [email protected] www.che.udel.edu/wagner www.cns.che.udel.edu
16 Center for molecular & engineering thermodynamics | 2010 Faculty
Optical trapping and confocal microscopy in the Furst laboratory.
17 Center for molecular & engineering thermodynamics | 2010
CMET Degrees Awarded
Recent CMET alumni have taken positions in industry, national laboratories, and academia. Below is a list of alumni who graduated in 2009, their advisor while they were at UD, and their current employer.
MS PhD
Kate Hollabaugh Monica Branco Kelly Hales Ann Kim MS | Wagner PhD | Wagner PhD | Pochan PhD | Kiick Dow Chemical National Institutes of Avon Central Research Post-doctoral Health & Development Researcher, Univ. of Elizabeth Minich Calif. Los Angeles MS | Pochan Manoj Charati Matt Helgeson Vahik Krikorian Icon Clinical Research PhD | Kiick PhD | Wagner Post-doctoral Post-doctoral PhD | Pochan Frances Spinelli Researcher, University researcher, Post-doctoral of Pennsylvania Massachusetts Institute Researcher, MIT MS | Furst of Technology Millenium Honggang Cui Matthew Lamm Pharmaceuticals PhD | Pochan Ji Yeon Huh PhD | Pochan Post-doctoral PhD | Furst Merck Central Research Researcher, Post-doctoral & Development Northwestern Researcher, NIST University Travis Larson Rohan Hule PhD | Furst PhD | Pochan Dow Chemical Post-doctoral Researcher, California Institute of Technology
18 Center for molecular & engineering thermodynamics | 2010 Alumni
Directed self-assembly of colloidal dicolloids.
Yi Li Lisa Pakstis William F. Weiss PhD | Roberts PhD | Pochan PhD | Roberts Merck & Co. Post-doctoral Eli Lily & Co. Researcher, NIST Ronak Maheshwari Teresa M. Young PhD | Kiick Erinc Sahin PhD | Roberts Post-doctoral PhD | Kiick OSIsoft Researcher, Rochester Post-doctoral Polytechnic Inst. Researcher, University Tuna Yucel of Delaware PhD | Pochan Teokor McFarlane Anne Marie Post-doctoral PhD | Wagner Researcher, Tufts Merck & Co. Shough University PhD | Doren Bulent Ozbas Exxon-Mobile PhD | Pochan Post-doctoral Michelle L. Researcher, Princeton Spartara University PhD | Roberts
19 Center for molecular & engineering thermodynamics | 2010
PHD Candidates
In 2009, 65 graduate students in the center were pursuing advanced degrees in Chemical Engineering, Materials Science and Engineering, Physics and Chemistry. Below is a list of 2009 students, their advisor, and project title.
Julie Albert Nandita Bhagwat Yingchao Chen Na Guo Epps Kiick Pochan Doren Self-assembled block Peptide-scaffolding of Charged block Silicon surface copolymer thin films electroactive groups copolymer self- chemistry and catalysis assembly for biofuel production Aysegul Altunbas Marco Blanco Pochan Roberts Christopher Brett Guralnick Peptide hydrogels as Molecular modeling Gillespie Mackay tissue regeneration and of Protein folding and Lenhoff Hybrid organic- drug delivery scaffolds aggregation Protein interactions in inorganic solar cells solutions Chisom Amaechi Brian Bowes Dennis Kalman Epps Lenhoff Mingxing Gong Wagner Nanoparticle behavior Protein transport and Doren Structure and rheology in polymer blends for adsorption in polymer- Electronic properties of of shear thickening organic photovoltaics modified ion-exchange organic molecules on fluids applications media semiconductor surfaces Kelley Kearns Aaron Baldwin Rebecca Brummitt Urzula Gora Lenhoff Kiick Roberts Szalewicz Membrane Protein PEG-Heparin hydrogels Mechanisms and Three-body potential Purification and predictive approaches for water Crystallization and Peter Beltramo to antibody Characterization of aggregation Protein-Detergent Furst Sarah Grieshaber Complexes Polarization of Kiick nanoparticles electric Peptide-polymer block fields during directed copolymers self-assembly
20 Center for molecular & engineering thermodynamics | 2010 PHD Candidates
Jai Kelkar Jung Min Kim Epps Wagner Targeted drug delivery Microstructure and and biopolymers rheology of colloidal and bioresponsive and nanoparticle gels polymeric vescicles for and glasses drug delivery Particle hydrodynamic interactions near solid interfaces are Harun Koku studied using holographic optical tweezers. Elizabeth Kelley Lenhoff Epps Analysis of Transport in Use of novel Ion-Exchange Media biomaterials for Pushkar Lele Linqing Li targeted drug delivery Ohm-Divyam Furst Kiick and bioresponsive Directed self-assembly Hydrophilic elastomeric polyermic vesicles Krishna in electrical and optical polypeptide hydrogels Kiick fields Don Kessler Collagen-containing assembled materials Shuang Liu Wagner Eric Levenson Kiick Field responsive Kiick Multivalent materials using shear Wei-Fan Kuan Immunology glycopolymers thickening fluid Epps of multivalent composites Nanoporous network oligonucleotide- and their applications modified polymers Jon Kiel in alternative energy Mackay Rachael Lewus Self assembly for Lenhoff photovoltaic devices Interactions and phase behavior of monoclonal antibodies
21 Center for molecular & engineering thermodynamics | 2010
Sarah Mastroianni Manish Mittal Epps Furst Nanostructured Interactions of colloids photovoltaic materials in AC electric fields using conjugated block copolymer assemblies Mark Panczyk Wagner & Furst Ronald Maurer Directed assembly of Roberts anisotropic particles Rational strategies for in AC electric fields; aggregate dissociation Assembly of anisotropic and refolding particles in electric fields Electric field assembly of colloidal crystals viewed through Michael Mayeda cross-polarizers. Epps Bum Jun Park Nanoporous Furst network polymers Colloidal interactions Fazle Rob Anvar Samadzoda functionalized with and mechanics at the catalytic particles to oil-water interface Szalewicz Lenhoff convert ammonia to Linear-scaling Characterizing hydrogen and nitrogen Leigh Quang dispersion energy interactions between gas for a potential surfactants and Lenhoff hydrogen economy Christina Russo membrane proteins, Thermodynamic with special emphasis Epps Chris McGann Modeling of Protein on protein-detergent Phase Behavior Targeted drug complexes of GPCRs Kiick release and the Polypeptide-heparin Obaidur Rahaman use of surfactants Sameer Sathaye elastomeric hydrogels in pharmaceutical Doren applications Pochan Jason McMullan Models of proteins Peptide hybrid and metal ions for materials Wagner simulations of binding Directed self-assembly energies of two-dimensional colloidal arrays
22 Center for molecular & engineering thermodynamics | 2010 PHD Candidates
Heather Schmidt Carrie Street Jeong Jae Wie Wen-Shiue Young Doren Wagner Wagner & Mackay Epps Materials for solar fuel Microstructure and Non-Einstein Multi-component block production rheology of crystalized phenomenon copolymer network surfactant solutions in polymer structures and applying Kelly Schultz nanocomposites them to energy storage systems Furst Ayben Top Kiick Charles Woods High throughput Wenluan Zhang microrheology Polypeptide Roberts of biomaterial conjugation and Multi-scale modeling Mackay hydrogelators assembly of colloidal phase Organic-inorganic solar behavior cells based on silicon Jon Seppala Steven Traylor Mackay Lenhoff Conqi Yan Sheng Zhong Influence of Chromatographic Pochan Pochan nanoparticles on Separation of Proteins Peptide hydrogel Charged block polymer properties nanostructure and flow copolymer self- Erica Tseng properties assembly Mikhil Sharma Mackay Na Young Kim Jiahua Zhu Pochan Rough coatings for Nanoparticle-soft photovoltaic devices Roberts Pochan matter hybrid materials Structure and Charged block Maeva Turreau mechanisms of protein copolymer self- Hao Shen aggregation and phase assembly Epps behavior Mackay Creating a nanoporous Adil Zuber Multilayer thin films capture device using of polymers and block copolymer Furst nanoparticles for network templates Non-linear application in solar cells that will capture microrheology and concentrate Indira Sriram metabolites to help in the ananlysis of Furst donwnstream rivers Active and non-linear microrheology
23 Center for molecular & engineering thermodynamics | 2010
Postdoctoral Researchers and Fellows
Postdoctoral Researchers and Fellows, working closely with their faculty advisors, are an integral part of the research teams of the Center. Below is a list of the 2009 Postdoctoral Researchers and Fellows, their advisor, and project title.
Wojciech Cencek Anna Greene Szalewicz Kiick Ultra-accurate Peptide-modified calculations for He2 polymeric delivery linearly scaling TD-DFT vehicles
Rich Dombrowski Alexander Wagner Grunberger Engineered crystal Roberts products Jennifer Kelly Aaron Eberle Epps Wagner Investigating thin Structure and rheology films of nanoparticle- of thermoreversible laden block copolymer sticky spheres composties and their self assembly Ballistic performance of shear-thickening fluid (STF) Katie Garber impregnated fabric. Kiick Multivalent scaffolds
24 Center for molecular & engineering thermodynamics | 2010 Postdocs
Basavaraja Jong Keun Park Venkat Tom Smart Madivala Epps Pradmanabhan Epps Wagner Conducting polymers Mackay Block copolymers in Structure and rheology for lithium battery DFT caclulations of solution of suspensions of and photovoltaic nanoparticles in thin vesicles and anisotropic applications polymer films and in Prachi Thereja articles the bulk Wagner Konrad Patkowski Rheology and Atsushi Mahara Szalewicz Raghunath Roy microstructure of Kiick Potential for Ar2 third- Epps surfactant solutions Senior Scientist, order induction energy Collaborative block National Cardiovascular with response effects copolymer based drug Kathleen Zetune Research Institute, delivery project Wagner Osaka, Japan Rafal Podeszwa Puncture resistant Szalewicz Erinc Sahin textiles and composites Armin Opitz Dispersionless density- Roberts Wagner functional theory Engineering protein Antisense nanoparticles aggregation resistance; for MRI imaging of aggregation of oncogene expression biopharmaceuticals
25 Center for molecular & engineering thermodynamics | 2010 Research Grants
Research Grants
DuPont Young Professor Award Collaborative Research: The DuPont Company (6/03–5/11) Thermodynamics of Protein Separations K. L. Kiick National Science Foundation (9/05–8/10) A. M. Lenhoff Development of Flexible Extremities Protection Utilizing Shear Thickening Effect of Nanoparticles on the Flow Fluid/Fabric Composites Properties of Polymers Army Research Office (7/04–6/09) BASF—Germany (2006–2010) N. J. Wagner, G. Gillespie M. E. Mackay
Nanoscale Engineering and Manufacture Materials World Network: Heating Effected through Molecular Architecture Polymers: The Self Assembly Approach and Structure National Science Foundation (2006–2010) National Science Foundation—NIRT (2005–2010) S. Rowan, M. E. Mackay M. E. Mackay, D. Tomanek, C. Hawker, K. Wooley Aggregation of Protein Therapeutics: Advanced Biomaterials via Mechanisms, Stability, and Interdiction Peptide Self-Assembly National Institutes of Health Biotechnology National Institutes of Health (1/05–1/10) Research Partnership (9/06–8/11) D. J. Pochan T. W. Randolph, J. F. Carpenter, C. J. Roberts, K. L. Kiick, D. Schwartz, C. Hall, K. Anseth COBRE: Membrane Protein Production and Characterization High-Precision Calculations of Density and Dielectric Viral Coefficients National Institutes of Health (6/05–5/10) for Helium for New Pressure and A. M. Lenhoff Temperature Standards Nanoscale Directed Self-Assembly in National Institute of Standards and Technology (10/06–9/09) Electrical and Optical Fields K. Szalewicz National Science Foundation (8/05–7/09) N. J. Wagner, E. Kaler, E. Furst, Velev, Brady
26 Center for molecular & engineering thermodynamics | 2010 Research Grants
InSPACE-2: Structural and Rheological Small Angle Neutron Scattering on Transitions of Field-Responsive Fluids in Polymers and Complex Fluids Microgravity Department of Commerce SANS (9/07–8/12) NASA (1/07–1/10) N. J. Wagner, T. H. Epps, K. L. Kiick, R. Lobo, D. E. M. Furst Pochan, E. Kaler
Optical Trapping for Directed Self- Neutron Science at the University of Assembly Delaware and National Institute of Sandia National Laboratories (3/07–2/10) Standards and Technology E. M. Furst Department of Commerce (10/07–9/12) D. J. Pochan Controlling Block Copolymer Interactions Using Tapering Between Blocks to Nanoparticles Stabilize Thin Polymer Stabilize Networks Films: A Fundamental Study to National Science Foundation Career Award Understand the Phenomenon (3/07–2/12) Department of Energy T. H. Epps (2008–2011) M. E. Mackay Templating Ion-Conducting Network Membranes Using Tapered Block Controlled Release of Low Molecular Copolymers Weight Heparin for Anticoagulation American Chemical Society Petroleum Therapy Research Fund (9/07–8/09) Nemours Foundation (1/08–12/09) T. H. Epps K. L. Kiick
Collaborative Research: Active and Non- Molecular Design of Responsive Linear Microheology Biomaterials (COBRE) National Science Foundation (9/07–8/10) National Institutes of Health (4/08–3/13) E. M. Furst, T. Squires T. Beebe, K. L. Kiick, X. Jia, D. Pochan, J. Schneider, M. Sullivan, Z. Zhuang, N. Zondlo, J. Microstructure in Gelling Systems Fox, T. Polenova, S. Patel International Fine Particles Research Institute (IFPRI) (9/07–8/10) E. M. Furst, M. Solomon
Center for Neutron Science National Institute of Standards and Technology (9/07–8/12) N. J. Wagner
27 Center for molecular & engineering thermodynamics | 2010
Development of Density Functional Indirect Reinforcement of Theory for Intermolecular Interactions Nanocomposites Department of Defense (ARL) (5/08–7/09) Army Research Office (2009–2012) K. Szalewicz M. E. Mackay
REU: Undergraduate Research in Energy Fundamental Understanding of Weld- and Sustainability Engineering Line Formation National Science Foundation REU (6/08–5/11) Dow Chemical (2009 –2010) T. H. Epps, J. Lauterbach A. Beris, N. J. Wagner, M. E. Mackay
Photophysical Studies of Conjugated Ion-Conducting Network Membranes Chromophores on Peptide Templates Using Tapered Block Copolymers National Science Foundation (6/08–5/11) Air Force Office of Scientific Research (3/09–12/11) K. L. Kiick, L. Rothberg T. H. Epps
Two-Dimensional Combinatorial Theoretical Studies of Intermolecular Methods for Polymeric Film Coatings Forces National Institute of Standards and Technology National Science Foundation (3/09–2/12) (9/08–8/10) K. Szalewicz T. H. Epps Multifunctional Biomaterials from Protein Adsorption and Transport in Collagen-Containing Multiblock Chromatographic Bioprocessing Polymers National Science Foundation (9/08–11/09) National Science Foundation (5/09–4/12) A. M. Lenhoff K. L. Kiick
Molecular Design of Advanced IDeA Network of Biomedical Research Biomaterials Excellence National Institutes of Health (9/08–9/13) National Institutes of Health (5/09–4/14) T. Beebe, K. L. Kiick D. Weir, K. L. Kiick
First-Principle Predictions of Crystal Peptide-Based Nanostructure for Structure of Energetic Material Multifunctional Composite Materials Department of Defense (10/08–9/11) Army Research Laboratory (6/09–5/10) K. Szalewicz D. J. Pochan
28 Center for molecular & engineering thermodynamics | 2010 Research Grants
Electron Transport Membranes Using Directed Self-Assembly of Nanostructured Block Copolymers Nanodispersions University of Delaware Research Foundation Department of Energy (9/09–8/12) (6/09–5/11) E. M. Furst T. H. Epps Interactions and Self-Assembly of Towards a General Design Approach to Anisotropic Colloidal Particles in Electric Arrest Non-Native Aggregation of Multi- Fields Domain Proteins National Science Foundation (9/09–9/12) National Science Foundation (6/09–5/12) E. M. Furst C. J. Roberts, E. J. Fernandez, A. S. Robinson Structure, Stability, and Mechanisms A Novel Approach to Calculations of of Nonnative Protein Aggregate & Intermolecular Forces Between Large Microparticle Formation Energetic Molecules National Science Foundation (9/09–9/12) Department of Defense Army Research Office C. J. Roberts (8/09–7/12) K. Szalewicz Rational Design of Innovative Catalytic Technologies for Biomass Derivative Block Copolymer Self-Assembly Utilization National Science Foundation (8/09–7/13) Department of Energy EFRC (9/09–8/14) D. J. Pochan, 1 co PI D. Vlachos, D. Doren
Effect of Natural Organic Matter on Ion-Conducting Network Membranes Bioavailability and Mobilization of Metals Using Tapered Block Copolymers National Institutes of Health (9/09–8/11) Presidential Early Career Award for Scientists and D. DiTorom, D. Doren, R. Carbonaro Engineers—Department of Defense (9/09–8/14) T. H. Epps Electron Transport Membranes Using Nanostructured Block Copolymers Understanding and Overcoming National Science Foundation CBET (9/09–8/12) Efficiency Limits in Organic Photovoltaics T. H. Epps, M. Jeffries-El University of Delaware Research Foundation (2010–2013) MRI: Acquisition of a Facility for M. Doty, M. E. Mackay Computational Approaches to Molecular-Scale Problems National Science Foundation MRI (9/09–8/12) D. Doren, D. Vlachos, M. Taufer, S. Patel
29 Center for molecular & engineering thermodynamics | 2010
Facilities & Resources
Department of • Time-shared optical tweezers 50 mW He-Ne laser (633 nm); and active microrheology—Zeiss thermostated sample cells, two BI Chemical Engineering Axiovert 200 microscope equipped 9000 correlators, and a differential for simultaneous bright field refractometer or video-rate confocal imaging; College of Engineering • Video-rate confocal imaging: Yokogawa Nipkow disk confocal Yokogawa Nipkow disk confocal Complex Fluids Laboratories and 100mW 3-line Ar+ excitation and 100mW 3-line Ar+ excitation laser; Stanford Photonics XR-Mega • TA Instruments AR2000, AR-G2 and laser; Stanford Photonics XR-Mega 10 Gen III 10 bit intensified digital ARES rheometers with multiple 10 Gen III 10 bit intensified digital ccd camera; PI-FOC microscope geometries, solvent traps and ccd camera; PI-FOC microscope objective nanopositioner for high- sample temperature control. objective nanopositioner for high- speed 3D confocal microscopy; speed 3D confocal microscopy. • Rheo-SALS combined rheology and 300kHz acousto-optic deflector small-angle light scattering (AOD) and analog amplifier; • Multiple particle tracking quadrant photo-diode detector microrheology: Zeiss Axiovert 200 • Brookhaven ZetaPals dynamic light and 10mW HeNe laser for high microscope equipped for bright scattering instrument resolution particle tracking; high field and epifluorescence; Phantom • UV/vis spectophotometers numerical aperture (NA) objectives v5.1 high speed digital camera (Spectronic 2000, Bausch & Lomb; (Two 63× NA 1.2 C-Apo, 63× NA (1000fps at 1000×1000 resolution, Lambda 4B, Perkin-Elmer) 1.4 Plan-Apo and one 100× NA 1.3 4GB). Plan-Apo) • Anton Paar DMA 35 and DMA 60 digital densiometers • Diffusing wave spectroscopy—2W etalon equipped Argon ion laser • Capillary rheometer (Instron) (488nm), dual PMT detection, • Capillary viscometer (Cannon) Brookhaven BI-9000 high speed correlator. • Holographic optical tweezers—Zeiss Axio Observer microscope equipped • Dynamic light scattering—two for bright field microscopy; Brookhaven DLS instruments Phantom v5.1 high speed digital with goniometers. Scattering camera (1000fps at 1000×1000 at multiple wavelengths with resolution, 2GB). 2W Argon ion laser (488 nm) or
30 Center for molecular & engineering thermodynamics | 2010 Facilities & Resources
Macromolecular • Oxygen plasma chamber for • FEI Vitribot for cryoTEM sample inorganic wafer/disk cleaning/ preparation Characterization Shared oxidation • Leica CPC vitrification instrument Facility • Bruker Tensor 27 FTIR spectroscopy • Standard sampe preparation • Brookhaven Instruments BI-200SM • Contact angle goniometry equipment dynamic/static light scattering instrument • PerkinElmer Diamond DSC; • (Leica cryoultramicrotome, carbon PerkinElmer Pyris 1 TGA evaporators, gold sputtering and • Microcal VP-DSC for calorimetric evaporators) characterization of protein and peptide solutions College of Engineering • Rigaku 36-kW rotating-anode x-ray Electron Microscopy and source Materials Science and X-ray Scattering Laboratory • Bruker small- and wide-angle x-ray scattering camera with 2-D CCD Engineering Department • Technai 12 120kV TEM with Gatan array x-ray detector Central Facilities 626 cryotransfer stage, Gatan CCD for low dose cryoTEM imaging • Digital Instruments Nanoscope III atomic force microscope • JEOL FEG2010 TEM with Gatan 626 cryotransfer stage and imaging • NEXUS 670 FTIR filter, CCD (electron energy • Waters Alliance gel permeation filtering) chromatography system – both • JEOL 2000FX TEM with Gatan 626 organic and aqueous polymer cryotransfer stage analysis • JEOL JSM 7400F Field Emission • VAC DRI-TRAIN HE-493 glovebox Scanning Electron Microscope
• Nikon Microphot-SA optical • JEOL JSM 5300LV Low Voltae microscope (transmission and Scanning Electron Microscope reflective modes)
31 Center for molecular & engineering thermodynamics | 2010
Institution Facilities • Compound microscope Protein Production Core Facility • Microtome tools Dr. Yu Sung, Director Delaware Biotechnology • Amersham Pharmacia MD Typhoon Institute (DBI) Phosphorimager and Fluoroimager • Instrument acquisition funded by NCRR COBRE The DBI is an government-academia- • New Brunswick Scientific BioFlo industry partnership. The Institute Custom Microarray Facility 4500 fermentor (30L capacity – provides a set of core facilities with Ms. Diane York, Coordinator bacteria and yeast) state-of-the-art instrumentation and to make these core facilities available • Affymetrix Gene Chip instrument • New Brunswick Celligen bioreactor to the University and other institutes system, (10L capacity – insect and in the region. mammalian cell) • Packard Bioscience Multiprobe II HTEX liquid handling robot • Avestin EmulsiFlex cell homogenizer
Bioimaging. Dr. Kirk Czymmek, • Genomic Solutions Flexys colony • Amersham Akta Explorer 100 fast Director picking robot protein liquid chromatography
The DBI bioimaging center is • GeneMachines OmniGrid staffed by Dr. Czymmek and two microarraying robot Protein Biophysics Shared full-time bioimaging technicians. • Microarray slide scanner Instrumentation Facility Instrumentation available in this facility includes: Mr. Robert Pekala, Building Manager
• Zeiss CEM TEM • Aviv Instruments Model 215 circular dichroism spectrometer • Hitachi S4700 FESEM • Perkin Elmer/Wallac Victor and • Zeiss LSM510 NLO multiphoton Fusion fluorescence/absorbance/ confocal microscope polarization multi-well plate • Digital Nanoscope III AFM readers
32 Center for molecular & engineering thermodynamics | 2010 Facilities & Resources
• Applied Photophysics stopped- • Beckman Coulter DU 640 UV/Vis flow device with fluorescence and spectrophotometer absorbance detection • Beckman Coulter CEQ 2000XL DNA • Beckman-Coulter analytical analysis system ultracentrifuge • 2 Alpha Innotech 2200 gel documentation systems and 2 Spectroline transilluminators Common Equipment • Beckman Coulter LS6500 liquid Mr. Robert Pekala, Building Manager scintillation counter • 2 Autoclaves, 2 freezer farms, 2 • Barnstead Nanopure Diamond glassware washers, 4 tabletop water purification units in each lab centrifuges
• 4 Mammalian cell culture incubators and 6 Class II Biosafety hoods
• 3 New Brunswick C-25 floor platform shakers and 1 New Brunswick C-24 benchtop platform shaker
• Two cold rooms
• 5 Beckman Coulter Optima and 2 Beckman Coulter Avanti superspeed centrifuges
• 2 Beckman Coulter DU 7400 diode array spectrophotometers
33 Center for molecular & engineering thermodynamics | 2010
Recent Seminars Student Awards &
To enhance the quality of our Fellowships students’ educational experience and Ohm Krishna our own range of knowledge, CMET Kiick hosts a Seminar Series, which brings ACS Excellence in Graduate Polymer scientists and engineers to campus Research symposium from institutions around the world. Armin Opitz Wagner Jeff Fowler Pigford Fellowship Research Scientist, Technology and Projects Mark Panczyk Syngenta Crop Protection Furst “Some Colloidal Science Challenges American Chemical Society’s Division of in the Agrochemical Industry” Colloid & Surface Chemistry, Outstanding Poster Contribution Ramón Castañeda-Priego University of Guanajuato, Mexico Kelly Schultz “Thermodynamics, Structure and Furst Effective Interactions in Charge- ACS Excellence in Graduate Polymer Stabilized Colloidal Suspensions” Research symposium
Jan Mewis Professor Emeritus, Katholieke University of Leuven, Belgium “Some Rheological Features of Clay/ Polymer Nanocomposites” Visit our website to learn about our Nicos S. Martys National Institute of Standards upcoming seminars! and Technology “Contact and Stress Anisotropies in Start- www.che.udel.edu/ Up Flow of Colloidal Suspensions” cmet/seminars.html
34 SECTION
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