Now showing items 363-382 of 456

    • Snapshot Hyperspectral Imaging (SHI) for Revealing Irreversible and Heterogeneous Plasmonic Processes 

      Kirchner, Silke R.; Smith, Kyle W.; Hoener, Benjamin S.; Collins, Sean S.E.; Wang, Wenxiao; Cai, Yi-Yu; Kinnear, Calum; Zhang, Heyou; Chang, Wei-Shun; Mulvaney, Paul; Landes, Christy F.; Link, Stephan (2018)
      Plasmon-mediated processes provide unique opportunities for selective photocatalysis, photovoltaics, and electrochemistry. Determining the influence of particle heterogeneity is an unsolved problem because often such ...
    • Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms 

      LeBlanc, J.P.F.; Antipov, Andrey E.; Becca, Federico; Bulik, Ireneusz W.; Chan, Garnet Kin-Lic; Chung, Chia-Min; Deng, Youjin; Ferrero, Michel; Henderson, Thomas M.; Jiménez-Hoyos, Carlos A.; Kozik, E.; Liu, Xuan-Wen; Millis, Andrew J.; Prokof’ev, N.V.; Qin, Mingpu; Scuseria, Gustavo E.; Shi, Hao; Svistunov, B.V.; Tocchio, Luca F.; Tupitsyn, I.S.; White, Steven R.; Zhang, Shiwei; Zheng, Bo-Xiao; Zhu, Zhenyue; Gull, Emanuel; Simons Collaboration on the Many-Electron Problem (2015)
      Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in ...
    • Space group symmetry applied to SCF calculations with periodic boundary conditions and Gaussian orbitals 

      Rusakov, Alexander A.; Frisch, Michael J.; Scuseria, Gustavo E. (2013)
      Space group symmetry is exploited and implemented in density functional calculations of extended systems with periodic boundary conditions. Our scheme for reducing the number of two-electron integrals employs the entire ...
    • Sparse learning of stochastic dynamical equations 

      Boninsegna, Lorenzo; Nüske, Feliks; Clementi, Cecilia (2018)
      With the rapid increase of available data for complex systems, there is great interest in the extraction of physically relevant information from massive datasets. Recently, a framework called Sparse Identification of ...
    • Spectral triangulation: a 3D method for locating single-walled carbon nanotubes in vivo 

      Lin, Ching-Wei; Bachilo, Sergei M.; Vu, Michael; Beckingham, Kathleen M.; Weisman, R. Bruce (2016)
      Nanomaterials with luminescence in the short-wave infrared (SWIR) region are of special interest for biological research and medical diagnostics because of favorable tissue transparency and low autofluorescence backgrounds ...
    • Spin-projected generalized Hartree-Fock method as a polynomial of particle-hole excitations 

      Henderson, Thomas M.; Scuseria, Gustavo E. (2017)
      The past several years have seen renewed interest in the use of symmetry-projected Hartree-Fock for the description of strong correlations. Unfortunately, these symmetry-projected mean-field methods do not adequately account ...
    • Spinal cord fusion with PEG-GNRs (TexasPEG): Neurophysiological recovery in 24 hours in rats 

      Kim, C-Yoon; Sikkema, William K. A.; Hwang, In-Kyu; Oh, Hanseul; Kim, Un Jeng; Lee, Bae Hwan; Tour, James M. (2016)
      Background: The GEMINI spinal cord fusion protocol has been developed to achieve a successful cephalosomatic anastomosis. Here, for the first time, we report the effects of locally applied water-soluble, conductive ...
    • Stable confinement of PET & MR agents within carbon nanotubes for bimodal imaging 

      Cisneros, Brandon T.; Law, Justin J.; Matson, Michael L.; Azhdarinia, Ali; Sevick-Muraca, Eva M.; Wilson, Lon J. (2014)
      Simultaneous PET/MR imaging has recently been introduced to the clinic and dual PET/MR imaging probes are rare and of growing interest. We have developed a strategy for producing multimodal probes based on a carbon nanotube ...
    • Stargazin Modulation of AMPA Receptors 

      Shaikh, Sana A.; Dolino, Drew M.; Lee, Garam; Chatterjee, Sudeshna; MacLean, David M.; Flatebo, Charlotte; Landes, Christy F.; Jayaraman, Vasanthi (2016)
      Fast excitatory synaptic signaling in the mammalian brain is mediated by AMPA-type ionotropic glutamate receptors. In neurons, AMPA receptors co-assemble with auxiliary proteins, such as stargazin, which can markedly alter ...
    • Statistical distribution of the electric field-driven switching of the Verwey state in Fe3O4 

      Fursina, A.A.; Sofin, R.G.S.; Shvets, I.V.; Natelson, D. (2012)
      The insulating state of magnetite (Fe3O4) can be disrupted by a sufficiently large dc electric field. Pulsed measurements are used to examine the kinetics of this transition. Histograms of the switching voltage show a ...
    • Stochastic dynamics of genetic broadcasting networks 

      Potoyan, Davit A.; Wolynes, Peter G. (2017)
      The complex genetic programs of eukaryotic cells are often regulated by key transcription factors occupying or clearing out of a large number of genomic locations. Orchestrating the residence times of these factors is ...
    • Stochastic Kinetics on Networks: When Slow Is Fast 

      Li, Xin; Kolomeisky, Anatoly B.; Valleriani, Angelo (2014)
      Most chemical and biological processes can be viewed as reaction networks in which different pathways often compete kinetically for transformation of substrates into products. An enzymatic process is an example of such ...
    • Strong, Light, Multifunctional Fibers of Carbon Nanotubes with Ultrahigh Conductivity 

      Behabtu, Natnael; Young, Colin C.; Tsentalovich, Dmitri E.; Kleinerman, Olga; Wang, Xuan; Ma, Anson W.K.; Bengio, E. Amram; ter Waarbeek, Ron F.; de Jong, Jorrit J.; Hoogerwerf, Ron E.; Fairchild, Steven B.; Ferguson, John B.; Maruyama, Benji; Kono, Junichiro; Talmon, Yeshayahu; Cohen, Yachin; Otto, Marcin J.; Pasquali, Matteo (2013)
      Broader applications of carbon nanotubes to real-world problems have largely gone unfulfilled because of difficult material synthesis and laborious processing. We report high-performance multifunctional carbon nanotube ...
    • Structural and Optical Properties of Discrete Dendritic Pt Nanoparticles on Colloidal Au Nanoprisms 

      Leary, Rowan K.; Kumar, Anjli; Straney, Patrick J.; Collins, Sean M.; Yazdi, Sadegh; Dunin-Borkowski, Rafal E.; Midgley, Paul A.; Millstone, Jill E.; Ringe, Emilie (2016)
      Catalytic and optical properties can be coupled by combining different metals into nanoscale architectures where both the shape and composition provide fine-tuning of functionality. Here, discrete, small Pt nanoparticles ...
    • Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases 

      Wang, Fengbin; Singh, Shanteri; Xu, Weijun; Helmich, Kate E.; Miller, Mitchell D.; Cao, Hongnan; Bingman, Craig A.; Thorson, Jon S.; Phillips, George N. Jr. (2015)
      Sugar aminotransferases (SATs) are an important class of tailoring enzymes that catalyze the 5'-pyridoxal phosphate (PLP)-dependent stereo- and regiospecific installation of an amino group from an amino acid donor (typically ...
    • Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis 

      Singh, Shanteri; Kim, Youngchang; Wang, Fengbin; Bigelow, Lance; Endres, Michael; Kharel, Madan K.; Babnigg, Gyorgy; Bingman, Craig A.; Joachimiak, Andrzej; Thorson, Jon S.; Phillips, George N. Jr. (2015)
      AT2433 from Actinomadura melliaura is an indolocarbazole antitumor antibiotic structurally distinguished by its unique aminodideoxypentose-containing disaccharide moiety. The corresponding sugar nucleotide-based biosynthetic ...
    • Structural chemistry of fluoride and oxofluoride complexes of titanium(IV) 

      Davidovich, Ruven L.; Marinin, Dmitry V.; Stavila, Vitalie; Whitmire, Kenton H. (2015)
      The crystal structures of 119 fluoride and oxofluoride complexes of titanium(IV) (88 fluoride and 31 oxofluoride compounds) published to date have been analyzed and reviewed. Depending on the degree and nature of the ...
    • Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3 studied with a screened hybrid functional 

      El-Mellouhi, Fedwa; Brothers, Edward N.; Lucerno, Melissa J.; Bulik, Ireneusz W.; Scuseria, Gustavo E. (2013)
      We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3 using the screened hybrid density functional of Heyd, Scuseria, and Ernzerhof (HSE06). We show that ...
    • Structure of RNA 3'-phosphate cyclase bound to substrate RNA 

      Desai, Kevin K.; Bingman, Craig A.; Cheng, Chin L.; Phillips, George N. Jr.; Raines, Ronald T. (2014)
      RNA 3′-phosphate cyclase (RtcA) catalyzes the ATP-dependent cyclization of a 3′-phosphate to form a 2′,3′-cyclic phosphate at RNA termini. Cyclization proceeds through RtcA–AMP and RNA(3′)pp(5′)A covalent intermediates, ...
    • Structure-Dependent Thermal Defunctionalization of Single-Walled Carbon Nanotubes 

      Ghosh, Saunab; Wei, Fang; Bachilo, Sergei M.; Hauge, Robert H.; Billups, W.E.; Weisman, R. Bruce (2015)
      Covalent sidewall functionalization of single-walled carbon nanotubes (SWCNTs) is an important tool for tailoring their properties for research purposes and applications. In this study, SWCNT samples were first functionalized ...