George C Schatz

Summary

Affiliation: Northwestern University
Country: USA

Publications

  1. ncbi request reprint Structure and electronic spectra of DNA mini-hairpins with G(n):C(n) stems
    Jennifer Tuma
    Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Gottingen, Germany
    J Phys Chem B 111:13101-6. 2007
  2. pmc Using theory and computation to model nanoscale properties
    George C Schatz
    Department of Chemistry, Northwestern University, Evanston, Il 60208 3113, USA
    Proc Natl Acad Sci U S A 104:6885-92. 2007
  3. pmc Chemical fabrication of heterometallic nanogaps for molecular transport junctions
    Xiaodong Chen
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    Nano Lett 9:3974-9. 2009
  4. ncbi request reprint Localized surface plasmon resonance spectroscopy of single silver triangular nanoprisms
    Leif J Sherry
    Chemistry Department, Northwestern University, Evanston, Illinois 60208 3113, USA
    Nano Lett 6:2060-5. 2006
  5. doi request reprint Hydrophobic dimerization and thermal dissociation of perylenediimide-linked DNA hairpins
    Mahesh Hariharan
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 131:5920-9. 2009
  6. doi request reprint Particle-level engineering of thermal conductivity in matrix-embedded semiconductor nanocrystals
    Daniel C Hannah
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA
    Nano Lett 12:5797-801. 2012
  7. doi request reprint Structure enhancement factor relationships in single gold nanoantennas by surface-enhanced Raman excitation spectroscopy
    Samuel L Kleinman
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States
    J Am Chem Soc 135:301-8. 2013
  8. ncbi request reprint Immobilized nanorod assemblies: fabrication and understanding of large area surface-enhanced Raman spectroscopy substrates
    Nathan G Greeneltch
    Northwestern University, Department of Chemistry, Evanston, Illinois 60208 3108, United States
    Anal Chem 85:2297-303. 2013
  9. doi request reprint Electron donor-acceptor interactions with flanking purines influence the efficiency of thymine photodimerization
    Zhengzheng Pan
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 133:20793-8. 2011
  10. doi request reprint Structure-activity relationships in gold nanoparticle dimers and trimers for surface-enhanced Raman spectroscopy
    Kristin L Wustholz
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    J Am Chem Soc 132:10903-10. 2010

Collaborators

Detail Information

Publications96

  1. ncbi request reprint Structure and electronic spectra of DNA mini-hairpins with G(n):C(n) stems
    Jennifer Tuma
    Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Gottingen, Germany
    J Phys Chem B 111:13101-6. 2007
    ..These results illustrate the utility of an integrated experimental and theoretical approach to understanding the complex electronic spectra of pi-stacked chromophores...
  2. pmc Using theory and computation to model nanoscale properties
    George C Schatz
    Department of Chemistry, Northwestern University, Evanston, Il 60208 3113, USA
    Proc Natl Acad Sci U S A 104:6885-92. 2007
    ....
  3. pmc Chemical fabrication of heterometallic nanogaps for molecular transport junctions
    Xiaodong Chen
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    Nano Lett 9:3974-9. 2009
    ..5 times stronger than that of Pt-S. In addition, the structures form Raman hot spots in the gap, allowing the spectroscopic characterization of the molecules that make up the MTJs...
  4. ncbi request reprint Localized surface plasmon resonance spectroscopy of single silver triangular nanoprisms
    Leif J Sherry
    Chemistry Department, Northwestern University, Evanston, Illinois 60208 3113, USA
    Nano Lett 6:2060-5. 2006
    ..3. In addition, the LSPR shift response to alkanethiol chain length was found to be linear with a slope of 4.4 nm per CH2 unit. This is the highest short-range refractive index sensitivity yet measured for a nanoparticle...
  5. doi request reprint Hydrophobic dimerization and thermal dissociation of perylenediimide-linked DNA hairpins
    Mahesh Hariharan
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 131:5920-9. 2009
    ..20 degrees in the Franck-Condon singlet state to ca. 0 degrees in the relaxed singlet state, a process which occurs within ca. 40 ps...
  6. doi request reprint Particle-level engineering of thermal conductivity in matrix-embedded semiconductor nanocrystals
    Daniel C Hannah
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA
    Nano Lett 12:5797-801. 2012
    ..Using this approach, we obtain changes in effective thermal conductivity of up to 5× for a nearly constant energy gap...
  7. doi request reprint Structure enhancement factor relationships in single gold nanoantennas by surface-enhanced Raman excitation spectroscopy
    Samuel L Kleinman
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States
    J Am Chem Soc 135:301-8. 2013
    ..Once these effects are considered, we are able to fully explain the hot spot dominated SERS response of the nanoantennas...
  8. ncbi request reprint Immobilized nanorod assemblies: fabrication and understanding of large area surface-enhanced Raman spectroscopy substrates
    Nathan G Greeneltch
    Northwestern University, Department of Chemistry, Evanston, Illinois 60208 3108, United States
    Anal Chem 85:2297-303. 2013
    ..Notably, there are predicted optimal microsphere sizes for each of the commonly used SERS laser wavelengths of 532, 633, 785, and 1064 nm...
  9. doi request reprint Electron donor-acceptor interactions with flanking purines influence the efficiency of thymine photodimerization
    Zhengzheng Pan
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 133:20793-8. 2011
    ..The "purine effect" on Φ(TT) is attributed to a combination of ground state conformation, ground state electron donor-acceptor interactions, and excited state exciplex formation...
  10. doi request reprint Structure-activity relationships in gold nanoparticle dimers and trimers for surface-enhanced Raman spectroscopy
    Kristin L Wustholz
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    J Am Chem Soc 132:10903-10. 2010
    ..This study demonstrates that the creation of hot spots, where two particles are in subnanometer proximity or have coalesced to form crevices, is paramount to achieving maximum SERS enhancements...
  11. ncbi request reprint Surface-enhanced raman scattering of pyrazine at the junction between two Ag20 nanoclusters
    Lin Lin Zhao
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    Nano Lett 6:1229-34. 2006
    ..Moreover, TDDFT calculations suggest that unlike larger nanoparticles, the junction between small Ag20 tetrahedral clusters does not provide an electromagnetic "hot spot"...
  12. doi request reprint Assembly of nanorods into designer superstructures: the role of templating, capillary forces, adhesion, and polymer hydration
    Jacob W Ciszek
    Department of Chemistry and International Institute of Nanotechnology, Northwestern University, Evanston, Illinois 60208, USA
    ACS Nano 4:259-66. 2010
    ..However, the high surface energy and low elastic modulus of polypyrrole are advantageous toward generating three-dimensional structures, inducing curvature at gold/polypyrrole length ratios as large as 7:1...
  13. ncbi request reprint Synthesis and properties of nicked dumbbell and dumbbell DNA conjugates having stilbenedicarboxamide linkers
    Ligang Zhang
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    Org Biomol Chem 5:450-6. 2007
    ..The base pair domains are found to adopt normal B'-DNA geometry and thus provide a helical ruler for studies of the distance and angular dependence of electronic interactions between the chromophore linkers...
  14. pmc Metal oxide nanoparticle growth on graphene via chemical activation with atomic oxygen
    James E Johns
    Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States
    J Am Chem Soc 135:18121-5. 2013
    ..This mechanism is corroborated with a combination of scanning probe microscopy, Raman spectroscopy, and density functional theory and can likely be generalized to a wide variety of related surface reactions on graphene. ..
  15. pmc Cooperative melting in caged dimers with only two DNA duplexes
    Ibrahim Eryazici
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 132:17068-70. 2010
    ..Using adjusted thermodynamic parameters obtained from a coarse-grain dynamic simulation, the experimental data fit well to an analytical model...
  16. doi request reprint Electronic interactions in helical stacked arrays of the modified DNA base pyrrolocytosine
    Prakash P Neelakandan
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States
    J Phys Chem B 116:5199-204. 2012
    ..The weak exciton coupling between non-neighboring (P)C chromophores, like that of the natural nucelobases, is attributed to their relatively weak electronic transition dipoles...
  17. doi request reprint Nanoparticle superlattice engineering with DNA
    Robert J Macfarlane
    Department of Chemistry, Northwestern University, Evanston, IL 60208, USA
    Science 334:204-8. 2011
    ..As such, this work represents an advance in synthesizing tailorable macroscale architectures comprising nanoscale materials in a predictable fashion...
  18. doi request reprint Gold nanoparticle dimer plasmonics: finite element method calculations of the electromagnetic enhancement to surface-enhanced Raman spectroscopy
    Jeffrey M McMahon
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Il 60208 3113, USA
    Anal Bioanal Chem 394:1819-25. 2009
    ..In addition, we determined that for small separations less than 3% of the molecules always contribute to greater than 90% of the signal...
  19. ncbi request reprint Plasmonic properties of film over nanowell surfaces fabricated by nanosphere lithography
    Erin M Hicks
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 109:22351-8. 2005
    ..The modeling results match the measurements accurately in aspects of the variation of the plasmon line shape with altering internanowell distance and dielectric environment...
  20. pmc Multipole plasmon resonances in gold nanorods
    Emma Kathryn Payne
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 110:2150-4. 2006
    ..The experimental optical spectra agree with discrete dipole approximation calculations that have been modeled from the dimensions of the gold nanorods...
  21. pmc Surface plasmon-mediated energy transfer in heterogap Au-Ag nanowires
    Wei Wei
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    Nano Lett 8:3446-9. 2008
    ..This suggests that energy transfer from the Au disk pair to the Ag segment involves an enhanced nonlinear polarization mechanism such as can be produced by the electronic Kerr effect or stimulated Raman scattering...
  22. ncbi request reprint Sharp melting transitions in DNA hybrids without aggregate dissolution: proof of neighboring-duplex cooperativity
    Julianne M Gibbs-Davis
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 129:15535-40. 2007
    ..While neighboring-duplex interactions alone can lead to cooperative melting, the enhanced stabilization observed in polymer-DNA aggregates is a function of both neighboring-duplex interactions and multivalent or aggregate properties...
  23. doi request reprint Gap structure effects on surface-enhanced Raman scattering intensities for gold gapped rods
    Shuzhou Li
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA
    Nano Lett 10:1722-7. 2010
    ..Excitation of even-symmetry modes is dipole forbidden (for polarization along the rod axis), but this selection rule can be relaxed by roughness or, for smooth gaps, by near-field coupling between the rod segments...
  24. ncbi request reprint Synthesis of heterodimeric sphere-prism nanostructures via metastable gold supraspheres
    Rafal Klajn
    Department of Chemical and Biological Engineering and Department of Chemistry, Northwestern University, Evanston, IL 60208, USA
    Angew Chem Int Ed Engl 46:8363-7. 2007
  25. doi request reprint Free-standing bimetallic nanorings and nanoring arrays made by on-wire lithography
    Cipto Liusman
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    ACS Nano 4:7676-82. 2010
    ..Spectroscopic studies and discrete dipole approximation calculations show that nanoring dimers exhibit greater surface enhanced Raman scattering than the analogous nanodisk dimers...
  26. doi request reprint DNA-programmable nanoparticle crystallization
    Sung Yong Park
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    Nature 451:553-6. 2008
    ..Our findings thus clearly demonstrate that synthetically programmable colloidal crystallization is possible, and that a single-component system can be directed to form different structures...
  27. doi request reprint Conformational control of TT dimerization in DNA conjugates. A molecular dynamics study
    Martin McCullagh
    Department of Chemistry, Northwestern University, Evanston, Illinois 60201, USA
    J Phys Chem B 114:5215-21. 2010
    ..For 6-4 dimerization, a distance g < 2.87 A and no constraint on dihedral angle provide an accurate description of the yield...
  28. doi request reprint Methods for describing the electromagnetic properties of silver and gold nanoparticles
    Jing Zhao
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113
    Acc Chem Res 41:1710-20. 2008
    ....
  29. pmc Development and modeling of arsenic-trioxide-loaded thermosensitive liposomes for anticancer drug delivery
    Nicolas D Winter
    Department of Chemistry, Northwestern University, Evanston, Illinois, USA
    J Liposome Res 21:106-15. 2011
    ..No pores were observed in the simulations, so it is unlikely this was the permeability-enhancing mechanism...
  30. ncbi request reprint Modeling self-assembly processes driven by nonbonded interactions in soft materials
    Martin McCullagh
    Department of Chemistry, Northwestern University, Evanston, Il 60208 3113, USA
    J Phys Chem B 112:10388-98. 2008
    ..The examples also demonstrate the usefulness of successful modeling methods in the design of new materials, including an understanding of the relationship between structure and function...
  31. pmc Designing, fabricating, and imaging Raman hot spots
    Lidong Qin
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, Evanston, Il 60208 3113, USA
    Proc Natl Acad Sci U S A 103:13300-3. 2006
    ..Theoretical calculations also demonstrate that these results are consistent with the electromagnetic mechanism, including the surprising result that the largest enhancement does not occur for the smallest gaps...
  32. ncbi request reprint Electrostatic aggregation and formation of core-shell suprastructures in binary mixtures of charged metal nanoparticles
    Alexander M Kalsin
    Department of Chemical and Biological Engineering and The Northwestern Institute on Complex Systems, Northwestern University, Evanston, Illinois 60208, USA
    Nano Lett 6:1896-903. 2006
    ..These theoretical predictions are substantiated by experiments using nanoparticles covered with different combinations of charged groups and performed at different values of pH...
  33. doi request reprint Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions
    Nicholas E Jackson
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States
    J Am Chem Soc 135:10475-83. 2013
    ....
  34. ncbi request reprint Optical properties of responsive hybrid au@polymer nanoparticles
    Mario Tagliazucchi
    Department of Chemistry, Chemistry of Life Processes Institute, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, United States
    ACS Nano 6:8397-406. 2012
    ..These results highlight the importance of explicitly considering the coupling between the soft material and the inorganic components in determining the optical properties of the hybrid system...
  35. doi request reprint A semiconducting organic radical cationic host-guest complex
    Albert C Fahrenbach
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, United States
    ACS Nano 6:9964-71. 2012
    ..We envision the modularity inherent in this kind of host-guest complexation could be harnessed to construct a library of custom-made electronic organic materials tailored to fit the specific needs of a given electronic application...
  36. ncbi request reprint Experimental and theoretical studies of plasmon-molecule interactions
    Hanning Chen
    Argonne Northwestern Solar Energy Research Center, Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208, USA
    Rep Prog Phys 75:096402. 2012
    ..Finally, a brief summary is presented together with an outlook for potential future directions of this emerging interdisciplinary research field...
  37. ncbi request reprint Controlling plasmon line shapes through diffractive coupling in linear arrays of cylindrical nanoparticles fabricated by electron beam lithography
    Erin M Hicks
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    Nano Lett 5:1065-70. 2005
    ..A version of the discrete dipole approximation method provides an excellent qualitative description of the observed behavior...
  38. ncbi request reprint Synthesis and optical properties of anisotropic metal nanoparticles
    Encai Hao
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Fluoresc 14:331-41. 2004
    ..This has resulted in considerable insight concerning the variation of plasmon wavelength with nanoparticle size, shape and dielectric environment, as well as the use of these particles for optical sensing applications...
  39. pmc Tailoring DNA structure to increase target hybridization kinetics on surfaces
    Andrew E Prigodich
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 132:10638-41. 2010
    ..Finally, we show that sicDNA is compatible with systems used in gene regulation, intracellular detection, and microarrays, suggesting several potential therapeutic, diagnostic, and bioinformatic applications...
  40. doi request reprint Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements
    Bei Peng
    Department of Mechanical Engineering, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3111, USA
    Nat Nanotechnol 3:626-31. 2008
    ..This effect is attributed to crosslinking between the shells. Computer simulations also illustrate the effects of various irradiation-induced crosslinking defects on load sharing between the shells...
  41. ncbi request reprint Sharp melting in DNA-linked nanostructure systems: thermodynamic models of DNA-linked polymers
    Sung Yong Park
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA
    J Phys Chem B 111:8785-91. 2007
    ..Our analysis suggests that the dehybridization properties of DNA strands in confined or dense structures differ from DNA in solution...
  42. doi request reprint Arrays of nanoscale lenses for subwavelength optical lithography
    Jae Won Jang
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, United States
    Nano Lett 10:4399-404. 2010
    ..The technique can be used to pattern large areas through the use of cantilever arrays...
  43. doi request reprint Conformational control of thymine photodimerization in single-strand and duplex DNA containing locked nucleic acid TT steps
    Mahesh Hariharan
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 132:12856-8. 2010
    ..Control of ground-state conformation by the locked nucleic acids results in a marked increase in both the quantum yield and the selectivity of photoproduct formation...
  44. pmc Surprisingly long-range surface-enhanced Raman scattering (SERS) on Au-Ni multisegmented nanowires
    Wei Wei
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Il 60208 3113, USA
    Angew Chem Int Ed Engl 48:4210-2. 2009
    ..The excitation of the surface-plasmon resonance (SPR) from the gold nanodisk pair generates an enhanced electromagnetic field near the nickel segment (SEM, left), leading to Raman intensity greater than the nickel alone (right)...
  45. ncbi request reprint Interaction of plasmon and molecular resonances for rhodamine 6G adsorbed on silver nanoparticles
    Jing Zhao
    Northwestern University, Department of Chemistry, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 129:7647-56. 2007
    ..These findings show the extreme sensitivity of LSPR in elucidating the detailed electronic structure of a resonant adsorbate...
  46. doi request reprint Computational simulations of the interaction of lipid membranes with DNA-functionalized gold nanoparticles
    One Sun Lee
    Department of Chemistry, Northwestern University, Evanston, IL, USA
    Methods Mol Biol 726:283-96. 2011
    ..This provides a model for interaction of DNA-Au NPs with cell membranes that does not require protein mediation...
  47. pmc Triggered release of pharmacophores from [Ni(HAsO₃)]-loaded polymer-caged nanobin enhances pro-apoptotic activity: a combined experimental and theoretical study
    Sang Min Lee
    Department of Chemistry and Center of Cancer Nanotechnology Excellence, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, United States
    ACS Nano 5:3961-9. 2011
    ..The ability to engender acid-triggered release of drugs co-encapsulated inside a liposomal template makes drug delivery using PCN an attractive strategy for triggered drug release...
  48. doi request reprint Using DNA to design plasmonic metamaterials with tunable optical properties
    Kaylie L Young
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, IL, 60208, USA
    Adv Mater 26:653-9. 2014
    ..Programmable DNA-mediated assembly is used to synthesize both silver and binary silver-gold nanoparticle superlattices, which are characterized using small-angle X-ray scattering, transmission electron microscopy, and elemental mapping. ..
  49. doi request reprint Modeling the self-assembly of peptide amphiphiles into fibers using coarse-grained molecular dynamics
    One Sun Lee
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, United States
    Nano Lett 12:4907-13. 2012
    ..About 66% of the surface of fiber is covered with the IKVAV epitope, and ∼92% of the epitope is exposed to water molecules...
  50. pmc Identification of parameters through which surface chemistry determines the lifetimes of hot electrons in small Au nanoparticles
    Kenneth O Aruda
    Department of Chemistry, Northwestern University, Evanston, Il 60208 3113, USA
    Proc Natl Acad Sci U S A 110:4212-7. 2013
    ..This analysis also reveals that incorporation of a temperature-dependent electron-phonon coupling constant is necessary to adequately fit the dynamics of electron cooling...
  51. pmc Assembly of reconfigurable one-dimensional colloidal superlattices due to a synergy of fundamental nanoscale forces
    Kaylie L Young
    Department of Chemistry, and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208, USA
    Proc Natl Acad Sci U S A 109:2240-5. 2012
    ..Additionally, we demonstrate a purification procedure based on our observations that can be used to efficiently separate triangular nanoprisms from spherical nanoparticles formed concomitantly during their synthesis...
  52. doi request reprint Tunneling currents that increase with molecular elongation
    Ignacio Franco
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, United States
    J Am Chem Soc 133:15714-20. 2011
    ....
  53. doi request reprint Theoretical studies of surface enhanced hyper-Raman spectroscopy: the chemical enhancement mechanism
    Nicholas Valley
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Chem Phys 133:054103. 2010
    ....
  54. doi request reprint DNA melting in small-molecule-DNA-hybrid dimer structures: experimental characterization and coarse-grained molecular dynamics simulations
    Tatiana R Prytkova
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 114:2627-34. 2010
    ....
  55. doi request reprint Reversible switching of magnetism in thiolate-protected Au25 superatoms
    Manzhou Zhu
    Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, Pennsylvania 15213, USA
    J Am Chem Soc 131:2490-2. 2009
    ..The results suggest that the Au(25)(SR)(18) nanoparticles are best considered as ligand-protected superatoms...
  56. ncbi request reprint Rings of single-walled carbon nanotubes: molecular-template directed assembly and Monte Carlo modeling
    Shengli Zou
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    Nano Lett 7:276-80. 2007
    ..The theoretical modeling shows that the strain energy of each SWNT is balanced by the energy difference between the van der Waals interactions of the tube with COOH and CH3 templates to produce the resulting ring structure...
  57. ncbi request reprint Resonance surface plasmon spectroscopy: low molecular weight substrate binding to cytochrome p450
    Jing Zhao
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 128:11004-5. 2006
    ..2 nm red-shift upon cytochrome P450 binding and a 34.7 nm blue-shift upon camphor binding. This is the first example of the detection of small molecules binding to a protein modified nanoparticle surface on the basis of LSPR...
  58. ncbi request reprint Sharp melting of polymer-DNA hybrids: an associative phase separation approach
    Alexander Kudlay
    Northwestern University, Department of Chemistry, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 111:1610-9. 2007
    ..The theoretical predictions are generally in good quantitative agreement with new experimental data (also presented here), which show the effect of the polymer-DNA hybrid length and salt concentration on the melting profiles...
  59. doi request reprint Effect of loop distortion on the stability and structural dynamics of DNA hairpin and dumbbell conjugates
    Martin McCullagh
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 112:11415-21. 2008
    ....
  60. ncbi request reprint Multipolar excitation in triangular nanoprisms
    Kevin L Shuford
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Chem Phys 123:114713. 2005
    ..Snipping off large volumes can lead to the suppression of high-order multipoles in the extinction spectrum...
  61. doi request reprint Silver-based nanodisk codes
    Matthew J Banholzer
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    ACS Nano 4:5446-52. 2010
    ..For example, a disk code consisting of 5 gold disk pairs has 13 unique combinations of enhancing patterns, while one with 5 disk pairs that can be either gold or silver has 98...
  62. ncbi request reprint Electrochemical tuning of silver nanoparticles fabricated by nanosphere lithography
    Xiaoyu Zhang
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    Nano Lett 5:1503-7. 2005
    ..AFM and SEM results demonstrate that the preferential order of electrochemical oxidation for a nanotriangle is, surprisingly, bottom edges first, then triangular tips, then out-of-plane height...
  63. ncbi request reprint Near-infrared surface-enhanced Raman spectroscopy (NIR-SERS) for the identification of eosin Y: theoretical calculations and evaluation of two different nanoplasmonic substrates
    Nathan G Greeneltch
    Department of Chemistry, Northwestern University, Evanston, Illinois 60201, United States
    J Phys Chem A 116:11863-9. 2012
    ....
  64. ncbi request reprint Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra
    Jonathan Mullin
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem A 116:9574-81. 2012
    ..Including both chemical and electromagnetic mechanisms at the level of model A leads to enhancements on the order of 10(4) and 10(9) for SERS and SEHRS...
  65. doi request reprint Dispersible gold nanorod dimers with sub-5 nm gaps as local amplifiers for surface-enhanced Raman scattering
    Kyle D Osberg
    Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, United States
    Nano Lett 12:3828-32. 2012
    ..When combined, these attributes with respect to sensitivity, reproducibility, and tailorability lead to a novel and powerful local amplification system for SERS applications...
  66. ncbi request reprint Molecular dynamics studies of ion distributions for DNA duplexes and DNA clusters: salt effects and connection to DNA melting
    Hai Long
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 110:2918-26. 2006
    ..We argue that this melting temperature increase in dense DNA clusters is responsible for the cooperative melting mechanism in DNA-linked nanoparticle aggregates and DNA-linked polymer aggregates...
  67. ncbi request reprint Localized surface plasmon resonance nanosensor: a high-resolution distance-dependence study using atomic layer deposition
    Alyson V Whitney
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Il 60208 3113, USA
    J Phys Chem B 109:20522-8. 2005
    ..It is proposed that the growth of Al(2)O(3) is initiated by the decomposition of trimethylaluminum on Ag. Semiquantitative theoretical calculations were compared with the experimental results and yield excellent agreement...
  68. doi request reprint DNA-based optomechanical molecular motor
    Martin McCullagh
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, United States
    J Am Chem Soc 133:3452-9. 2011
    ..4%. Structure-function insights into the operation of this motor are provided, and the effect of the cantilever stiffness on the extractable work is characterized...
  69. ncbi request reprint Alpha- and beta-stilbenosides as base-pair surrogates in DNA hairpins
    Ligang Zhang
    Department of Chemistry, Northwestern University, Evanston, IL 60201, USA
    Org Biomol Chem 4:314-22. 2006
    ..The relative orientations of the two stilbenes in the bis-stilbenosides have been studied using a combination of exciton-coupled circular dichroism spectroscopy and molecular modeling...
  70. ncbi request reprint Modeling reactive scattering of F(2P) at a liquid squalane interface: a hybrid QM/MM molecular dynamics study
    Brian K Radak
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem A 113:7218-26. 2009
    ..0 eV, which we also present, show analogous comparisons with experiment, with OH vibrational distributions which are cold and match experiment, while the calculated rotational distributions are dominated by nonthermal behavior...
  71. ncbi request reprint Phase diagram for assembly of biologically-active peptide amphiphiles
    Stefan Tsonchev
    Department of Chemistry and Center for Nanofabrication and Molecular Self Assembly, and Department of Materials Science and Engineering, and Feinberg School of Medicine, Northwestern University, Evanston, Illinois 60208, USA
    J Phys Chem B 112:441-7. 2008
    ..This type of phase diagram could be useful in the design of certain supramolecular nanostructures by providing information on the necessary conditions to form them...
  72. doi request reprint Enhancing the melting properties of small molecule-DNA hybrids through designed hydrophobic interactions: an experimental-computational study
    Ibrahim Eryazici
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    J Am Chem Soc 134:7450-8. 2012
    ..In contrast, if ff dimers can be formed with good minimization of the exposed hydrophobic surfaces of the cores, they are highly stable structures with enhanced melting temperatures and cooperative melting behavior...
  73. pmc Core-shell triangular bifrustums
    Hyojong Yoo
    Department of Chemistry and the International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208
    Nano Lett 9:3038-41. 2009
    ..The structure and composition of these novel nanocrystals have been investigated by transmission electron microscopy, atomic force microscopy, X-ray photoelectron spectroscopy, and energy-dispersive spectrometry...
  74. ncbi request reprint DNA as helical ruler: exciton-coupled circular dichroism in DNA conjugates
    Frederick D Lewis
    Department of Chemistry, Northwestern University, Evanston, Il 60208 3113, USA
    J Am Chem Soc 127:14445-53. 2005
    ..Furthermore, they provide important tests for atomistic theoretical models of DNA...
  75. ncbi request reprint Steered molecular dynamics studies of the potential of mean force of a Na+ or K+ ion in a cyclic peptide nanotube
    Hyonseok Hwang
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 110:26448-60. 2006
    ....
  76. pmc Coarse-grained molecular dynamics study of permeability enhancement in DPPC bilayers by incorporation of lysolipid
    Nicolas D Winter
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 114:5053-60. 2010
    ....
  77. ncbi request reprint A comparative analysis of localized and propagating surface plasmon resonance sensors: the binding of concanavalin a to a monosaccharide functionalized self-assembled monolayer
    Chanda Ranjit Yonzon
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 126:12669-76. 2004
    ..Finally, an elementary (2 x 1) multiplexed version of an LSPR carbohydrate sensing chip to probe the simultaneous binding of ConA to mannose and galactose-functionalized SAMs has been demonstrated...
  78. ncbi request reprint Extending SERS into the infrared with gold nanosphere dimers
    Martin G Blaber
    Department of Chemistry and International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208, USA
    Chem Commun (Camb) 47:3769-71. 2011
    ....
  79. ncbi request reprint Nanoscale fracture mechanics
    Steven L Mielke
    Department of Chemistry, Northwestern University, Evanston, IL 60208, USA
    Annu Rev Phys Chem 58:185-209. 2007
    ..In particular, we consider the role of defects such as vacancies, Stone-Wales defects, adatoms and ad-dimers, chemical functionalization, and oxidative pitting...
  80. ncbi request reprint What controls the melting properties of DNA-linked gold nanoparticle assemblies?
    Rongchao Jin
    Department of Chemistry and Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, USA
    J Am Chem Soc 125:1643-54. 2003
    ....
  81. ncbi request reprint Optical properties of nanowire dimers with a spatially nonlocal dielectric function
    Jeffrey M McMahon
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA
    Nano Lett 10:3473-81. 2010
    ..These results are important for further understanding the optical properties of structures at the nanoscale and have implications for numerous physical processes, such as surface-enhanced Raman scattering...
  82. ncbi request reprint Coulombic interactions and crystal packing effects in the folding of donor-acceptor oligorotaxanes
    Ignacio Franco
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 115:2477-84. 2011
    ..The π-stacked conformation is also shown to be thermodynamically improbable in longer oligomers...
  83. ncbi request reprint Mechanically Activated Molecular Switch through Single-Molecule Pulling
    Ignacio Franco
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, United States
    J Am Chem Soc 133:2242-9. 2011
    ..Finally, we illustrate some of the structure-function relationships in this system, mapping the dominant interactions in the molecule for mediating charge transport throughout the pulling simulation...
  84. ncbi request reprint Ion current calculations based on three dimensional Poisson-Nernst-Planck theory for a cyclic peptide nanotube
    Hyonseok Hwang
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    J Phys Chem B 110:6999-7008. 2006
    ..Strengths and limitations of the PNP theory are also discussed...
  85. ncbi request reprint Electronic excitations and spectra in single-stranded DNA
    Stefano Tonzani
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Am Chem Soc 130:7607-12. 2008
    ..These spectra, which arise from highly stacked structures, are in good agreement with experiment, suggesting that the short delocalization in ssDNA arises in spite of strong stacking...
  86. ncbi request reprint Structures of DNA-linked nanoparticle aggregates
    Sung Yong Park
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA
    J Phys Chem B 110:12673-81. 2006
    ....
  87. doi request reprint Atomistic molecular dynamics simulations of peptide amphiphile self-assembly into cylindrical nanofibers
    One Sun Lee
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, United States
    J Am Chem Soc 133:3677-83. 2011
    ..Our findings will be useful for designing new PA fibers that have improved bioactive properties...
  88. ncbi request reprint Single-molecule surface-enhanced Raman spectroscopy of crystal violet isotopologues: theory and experiment
    Samuel L Kleinman
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, United States
    J Am Chem Soc 133:4115-22. 2011
    ..We present the largest collection to date of HRTEM images of SMSERS-supporting nanoparticle assemblies...
  89. ncbi request reprint Silver nanoparticle array structures that produce remarkably narrow plasmon lineshapes
    Shengli Zou
    Department of Chemistry, Northwestern University, Evanston, Illinois 60208 3113, USA
    J Chem Phys 120:10871-5. 2004
    ..A simple analytical expression valid for infinite lattices shows that the sharp resonance arises from cancellation between the single particle width and the imaginary part of the radiative dipolar interaction...
  90. ncbi request reprint Photoinduced electron transfer from rail to rung within a self-assembled oligomeric porphyrin ladder
    Chunxing She
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208, USA
    Chem Commun (Camb) 46:547-9. 2010
    ..19 ns...
  91. ncbi request reprint Correlating nanorod structure with experimentally measured and theoretically predicted surface plasmon resonance
    Abrin L Schmucker
    Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 3113, USA
    ACS Nano 4:5453-63. 2010
    ..For long rods, the width decreases with increasing length in spite of increased radiative damping due to increased frequency dispersion in the real part of the metal dielectric function...
  92. doi request reprint Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties
    Manzhou Zhu
    Department of Chemistry, Carnegie Mellon University, 4400 Fifth Avenue, Pittsburgh, Pennsylvannia 15213, USA
    J Am Chem Soc 130:5883-5. 2008
    ..The Au25(SR)18 clusters exhibit multiple molecular-like absorption bands, and we find the results are in good correspondence with time-dependent density functional theory calculations for the observed structure...
  93. ncbi request reprint Phase of molecular ink in nanoscale direct deposition processes
    Narae Cho
    Department of Physics, Seoul National University, Kwanak Ku, Shilim Dong, Seoul 151 747, Korea
    J Chem Phys 124:024714. 2006
    ..The theory provides a qualitative explanation for the dependence of the pattern growth rate on solvent and adsorbed water as well as on temperature...
  94. ncbi request reprint Kinetic lattice grand canonical Monte Carlo simulation for ion current calculations in a model ion channel system
    Hyonseok Hwang
    Department of Chemistry, Kangwon National University, Chucheon 200 701, South Korea
    J Chem Phys 127:024706. 2007
    ..It is demonstrated that the reaction field as well as fixed charges in the channel play key roles in selective ion transport. Limitations and further development of the current KLGCMC/MF approach are also discussed...
  95. ncbi request reprint Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(3p) + D2
    Donna J Garton
    Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana 59717, USA
    J Phys Chem A 110:1327-41. 2006
    ..The quantum scattering results are in good agreement with QCT calculations, indicating that quantum effects are relatively small for this reaction at a collision energy of 25 kcal mol(-1)...
  96. doi request reprint Effect of structural dynamics on charge transfer in DNA hairpins
    Ferdinand C Grozema
    Opto electronic Materials Section, DelftChemTech, Delft University of Technology, Julianalaan 136, 2628 BL, Delft, The Netherlands
    J Am Chem Soc 130:5157-66. 2008
    ....