Now showing items 206-225 of 476

    • Interactions in nonconserving driven diffusive systems 

      Midha, Tripti; Kolomeisky, Anatoly B.; Gupta, Arvind Kumar (2018)
      Motivated by biological transport phenomena and vehicular traffic flow we investigate the dynamics of interacting molecular motors or interacting vehicles that move along linear filaments (tracks) and can reversibly associate ...
    • Interobserver agreement in dysplasia grading: toward an enhanced gold standard for clinical pathology trialsᅠ 

      Speight, Paul M.; Abram, Timothy J.; Floriano, Pierre N.; James, Robert; Vick, Julie; Thornhill, Martin H.; Murdoch, Craig; Freeman, Christine; Hegarty, Anne M.; D’Apice, Katy; Kerr, A. Ross; Phelan, Joan; Corby, Patricia; Khouly, Ismael; Vigneswaran, Nadarajah; Bouquot, Jerry; Demian, Nagi M.; Weinstock, Y. Etan; Redding, Spencer W.; Rowan, Stephanie; Yeh, Chih-Ko; McGuff, H. Stan; Miller, Frank R.; McDevitt, John T. (2015)
      Objective: Interobserver agreement in the context of oral epithelial dysplasia (OED) grading has been notoriously unreliable and can impose barriers for developing new molecular markers and diagnostic technologies. This ...
    • Interrogating the topological robustness of gene regulatory circuits by randomization 

      Huang, Bin; Lu, Mingyang; Jia, Dongya; Ben-Jacob, Eshel; Levine, Herbert; Onuchic, José N. (2017)
      One of the most important roles of cells is performing their cellular tasks properly for survival. Cells usually achieve robust functionality, for example, cell-fate decision-making and signal transduction, through multiple ...
    • Intrinsic and extrinsic defects in a family of coal-derived graphene quantum dots 

      Singamaneni, Srinivasa Rao; van Tol, Johan; Ye, Ruquan; Tour, James M. (2015)
      In this letter, we report on the high frequency (239.2 and 336 GHz) electron spin resonance (ESR) studies performed on graphene quantum dots (GQDs), prepared through a wet chemistry route from three types of coal: (a) ...
    • Investigation of the Reduction of a Molybdenum/Iron Molecular Nanocluster Single Source Precursor 

      Esquenazi, Gibran L.; Barron, Andrew R. (2018)
      The thermolysis of the polyoxometalate cluster [HxPMo12O40⊂H4Mo72Fe30(O2CMe)15O254(H2O)90−y(EtOH)y] (1) under air, argon, and reducing conditions (5%, 10%, 50% H2 with Ar balance) has been investigated. The resulting ...
    • Ion Segregation in Aqueous Solutions 

      Bian, Hongtao; Li, Jiebo; Zhang, Qiang; Chen, Hailong; Zhuang, Wei; Gao, Yi Qin (2012)
    • Iron carbonyl clusters with ECl2 units (E = P, As) 

      Schipper, Desmond E.; Chen, Jing-Han; Whitmire, Kenton H. (2017)
      Reaction of [PPN][HFe(CO)4] (PPN = bis(triphenylphosphine)iminium) with PCl3 in a 1:1 ratio produced small amounts of [PPN][P{Fe(CO)4}2Cl2] ([PPN][Ia]). Reaction of [Et4N][HFe(CO)4] with AsCl3 in a 1:0.75 ratio in THF at ...
    • Isotope effects in aqueous solvation of simple halides 

      Videla, Pablo E.; Rossky, Peter J.; Laria, D. (2018)
      We present a path-integral-molecular-dynamics study of the thermodynamic stabilities of DOH⋯ X− and HOD⋯ X− (X = F, Cl, Br, I) coordination in aqueous solutions at ambient conditions. In agreement with experimental evidence, ...
    • Isotopic equilibria in aqueous clusters at low temperatures: Insights from the MB-pol many-body potential 

      Videla, Pablo E.; Rossky, Peter J.; Laria, Daniel (2018)
      By combining path-integrals molecular dynamics simulations with the accurate MB-pol potential energy surface, we investigate the role of alternative potential models on isotopic fractionation ratios between H and D atoms ...
    • Issues Affecting the Synthetic Scalability of Ternary Metal Ferrite Nanoparticles 

      Morrow, Lauren; Barron, Andrew R. (2015)
      Ternary Mn-Zn ferrite (MnxZn1-xFe2O4) nanoparticles (NPs) have been prepared by the thermal decomposition of an oleate complex, sodium dodecylbenzenesulfonate (SDBS) mediated hydrazine decomposition of the chloride salts, ...
    • Laser-induced porous graphene films from commercial polymers 

      Lin, Jian; Peng, Zhiwei; Liu, Yuanyue; Ruiz-Zepeda, Francisco; Ye, Ruquan; Samuel, Errol L.G.; Yacaman, Miguel Jose; Yakobson, Boris I.; Tour, James M. (2014)
      The cost effective synthesis and patterning of carbon nanomaterials is a challenge in electronic and energy storage devices. Here we report a one-step, scalable approach for producing and patterning porous graphene films ...
    • Lie algebraic similarity transformed Hamiltonians for lattice model systems 

      Wahlen-Strothman, Jacob M.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Scuseria, Gustavo E. (2015)
      We present a class of Lie algebraic similarity transformations generated by exponentials of two-body on-site Hermitian operators whose Hausdorff series can be summed exactly without truncation. The correlators are defined ...
    • Ligand-Dependent Colloidal Stability Controls the Growth of Aluminum Nanocrystals 

      Clark, Benjamin D.; DeSantis, Christopher J.; Wu, Gang; Renard, David; McClain, Michael J.; Bursi, Luca; Tsai, Ah-Lim; Nordlander, Peter; Halas, Naomi J. (2019)
      The precise size- and shape-controlled synthesis of monodisperse Al nanocrystals remains an open challenge, limiting their utility for numerous applications that would take advantage of their size and shape-dependent optical ...
    • Linearized Jastrow-style fluctuations on spin-projected Hartree-Fock 

      Henderson, Thomas M.; Scuseria, Gustavo E. (2013)
      The accurate and efficient description of strong electronic correlations remains an important objective in electronic structure theory. Projected Hartree-Fock theory, where symmetries of the Hamiltonian are deliberately ...
    • Loop dynamics of thymidine diphosphate-rhamnose 3′-O-methyltransferase (CalS11), an enzyme in calicheamicin biosynthesis 

      Han, Lu; Singh, Shanteri; Thorson, Jon S.; Phillips, George N. Jr. (2016)
      Structure analysis and ensemble refinement of the apo-structure of thymidine diphosphate (TDP)-rhamnose 3′-O-methyltransferase reveal a gate for substrate entry and product release. TDP-rhamnose 3′-O-methyltransferase ...
    • Lowered pH Leads to Fusion Peptide Release and a Highly Dynamic Intermediate of Influenza Hemagglutinin 

      Lin, Xingcheng; Noel, Jeffrey K.; Wang, Qinghua; Ma, Jianpeng; Onuchic, José N. (2016)
      Hemagglutinin (HA), the membrane-bound fusion protein of the influenza virus, enables the entry of virus into host cells via a structural rearrangement. There is strong evidence that the primary trigger for this rearrangement ...
    • Luminogenic iridium azide complexes 

      Ohata, Jun; Vohidov, Farrukh; Aliyan, Amirhossein; Huang, Kewei; Martí, Angel A.; Ball, Zachary T. (2015)
      The synthesis and characterization of luminogenic, bioorthogonal iridium probes is described. These probes exhibit long photoluminescence lifetimes amenable to time-resolved applications. A simple, modular synthesis via ...
    • A magnesium-induced triplex pre-organizes the SAM-II riboswitch 

      Roy, Susmita; Lammert, Heiko; Hayes, Ryan L.; Chen, Bin; LeBlanc, Regan; Dayie, T. Kwaku; Onuchic, José N.; Sanbonmatsu, Karissa Y. (2017)
      Our 13C- and 1H-chemical exchange saturation transfer (CEST) experiments previously revealed a dynamic exchange between partially closed and open conformations of the SAM-II riboswitch in the absence of ligand. Here, ...
    • Magnetic defects in chemically converted graphene nanoribbons: electron spin resonance investigation 

      Singamaneni, Srinivasa Rao; Stesmans, Andre; van Tol, Johan; Kosynkin, D.V.; Tour, James M. (2014)
      Electronic spin transport properties of graphene nanoribbons (GNRs) are influenced by the presence of adatoms, adsorbates and edge functionalization. To improve the understanding of the factors that influence the spin ...
    • Magnetization Dynamics from Time-Dependent Noncollinear Spin Density Functional Theory Calculations 

      Peralta, Juan E.; Hod, Oded; Scuseria, Gustavo E. (2015)
      A computational scheme, based on a time-dependent extension of noncollinear spin density functional theory, for the simultaneous simulation of charge and magnetization dynamics in molecular systems is presented. We employ ...