Now showing items 189-208 of 456

    • Improving the efficiency of molecular replacement by utilizing a new iterative transform phasing algorithm 

      He, Hongxing; Fang, Hengrui; Miller, Mitchell D.; Phillips, George N. Jr.; Su, Wu-Pei (2016)
      An iterative transform method proposed previously for direct phasing of high-solvent-content protein crystals is employed for enhancing the molecular-replacement (MR) algorithm in protein crystallography. Target structures ...
    • Impurity-Induced Plasmon Damping in Individual Cobalt-Doped Hollow Au Nanoshells 

      Thibodeaux, Christyn A.; Kulkarni, Vikram; Chang, Wei-Shun; Neumann, Oara; Cao, Yang; Brinson, Bruce; Ayala-Orozco, Ciceron; Chen, Chih-Wei; Morosan, Emilia; Link, Stephan; Nordlander, Peter; Halas, Naomi J. (2014)
      The optical properties of plasmonic nanoparticles in the size range corresponding to the electrostatic, or dipole, limit have the potential to reveal effects otherwise masked by phase retardation. Here we examine the optical ...
    • In situ imaging of the conducting filament in a silicon oxide resistive switch 

      Yao, Jun; Zhong, Lin; Natelson, Douglas; Tour, James M. (2012)
      The nature of the conducting filaments in many resistive switching systems has been elusive. Throughᅠin situᅠtransmission electron microscopy, we image the real-time formation and evolution of the filament in a silicon ...
    • In situ measurement of bovine serum albumin interaction with gold nanospheres 

      Dominguez-Medina, Sergio; McDonough, Steven; Swanglap, Pattanawit; Landes, Christy F.; Link, Stephan (2012)
      Here we present in situ observations of adsorption of bovine serum albumin (BSA) on citratestabilized gold nanospheres. We implemented scattering correlation spectroscopy as a tool to quantify changes in the nanoparticle ...
    • Inexpensive method for producing macroporous silicon particulates (MPSPs) with pyrolyzed polyacrylonitrile for lithium ion batteries 

      Thakur, Madhuri; Sinsabaugh, Steven L.; Isaacson, Mark J.; Wong, Michael S.; Biswal, Sibani Lisa (2012)
      One of the most exciting areas in lithium ion batteries is engineering structured silicon anodes. These new materials promise to lead the next generation of batteries with significantly higher reversible charge capacity ...
    • Influence of decoys on the noise and dynamics of gene expression 

      Burger, Anat; Walczak, Aleksandra M.; Wolynes, Peter G. (2012)
      Many transcription factors bind to DNA with a remarkable lack of specificity, so that regulatory binding sites compete with an enormous number of nonregulatory “decoy” sites. For an autoregulated gene, we show decoy sites ...
    • Insensitivity of the error of the minimally empirical hybrid functional revTPSSh to its parameters 

      Haunschild, Robin; Perdew, John P.; Scuseria, Gustavo E. (2012)
      We investigate the parameter dependence of the error of the hybrid of the revised Tao-Perdew-Staroverov-Scuseria (revTPSSh) density functional for the exchange-correlation energy within popular molecular test sets. In ...
    • Integrated strategy reveals the protein interface between cancer targets Bcl-2 and NAF-1 

      Tamir, Sagi; Rotem-Bamberger, Shahar; Katz, Chen; Morcos, Faruck; Hailey, Kendra L.; Zuris, John A.; Wang, Charles; Conlan, Andrea R.; Lipper, Colin H.; Paddock, Mark L.; Mittler, Ron; Onuchic, José N.; Jennings, Patricia A.; Friedler, Assaf; Nechushtai, Rachel (2014)
      Life requires orchestrated control of cell proliferation, cell maintenance, and cell death. Involved in these decisions are protein complexes that assimilate a variety of inputs that report on the status of the cell and ...
    • Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods 

      Perdew, John P.; Sun, Jianwei; Garza, Alejandro J.; Scuseria, Gustavo E. (2016)
      The errors in atomization energies (AE) of molecules have long been used to measure the errors of wavefunction or density functional methods for electronic structure calculations. In particular, the G3 set of Pople and ...
    • Interactions between mitoNEET and NAF-1 in cells 

      Karmi, Ola; Holt, Sarah H.; Song, Luhua; Tamir, Sagi; Luo, Yuting; Bai, Fang; Adenwalla, Ammar; Darash-Yahana, Merav; Sohn, Yang-Sung; Jennings, Patricia A.; Azad, Rajeev K.; Onuchic, José N.; Morcos, Faruck; Nechushtai, Rachel; Mittler, Ron (2017)
      The NEET proteins mitoNEET (mNT) and nutrient-deprivation autophagy factor-1 (NAF-1) are required for cancer cell proliferation and resistance to oxidative stress. NAF-1 and mNT are also implicated in a number of other ...
    • 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, ...