Now showing items 171-190 of 247

    • Rapid Exploration of Configuration Space with Diffusion-Map-Directed Molecular Dynamics 

      Zheng, Wenwei; Rohrdanz, Mary A.; Clementi, Cecilia (2013)
      The gap between the time scale of interesting behavior in macromolecular systems and that which our computational resources can afford often limits molecular dynamics (MD) from understanding experimental results and ...
    • Reader domain specificity and lysine demethylase-4 family function 

      Su, Zhangli; Wang, Fengbin; Lee, Jin-Hee; Stephens, Kimberly E.; Papazyan, Romeo; Voronina, Ekaterina; Krautkramer, Kimberly A.; Raman, Ana; Thorpe, Jeremy J.; Boersma, Melissa D.; Kuznetsov, Vyacheslav I.; Miller, Mitchell D.; Taverna, Sean D.; Phillips, George N. Jr.; Denu, John M. (2016)
      The KDM4 histone demethylases are conserved epigenetic regulators linked to development, spermatogenesis and tumorigenesis. However, how the KDM4 family targets specific chromatin regions is largely unknown. Here, an ...
    • Rebar Graphene 

      Yan, Zheng; Peng, Zhiwei; Casillas, Gilberto; Lin, Jian; Xiang, Changsheng; Zhou, Haiqing; Yang, Yang; Ruan, Gedeng; Raji, Abdul-Rahman O.; Samuel, Errol L.G.; Hauge, Robert H.; Yacaman, Miguel Jose; Tour, James M. (2014)
      As the cylindrical sp2-bonded carbon allotrope, carbon nanotubes (CNTs) have been widely used to reinforce bulk materials such as polymers, ceramics, and metals. However, both the concept demonstration and the fundamental ...
    • Rebar Graphene from Functionalized Boron Nitride Nanotubes 

      Li, Yilun; Peng, Zhiwei; Larios, Eduardo; Wang, Gunuk; Lin, Jian; Yan, Zheng; Ruiz-Zepeda, Francisco; José-Yacamán, Miguel; Tour, James M. (2015)
      The synthesis of rebar graphene on Cu substrates is described using functionalized boron nitride nanotubes (BNNTs) that were annealed or subjected to chemical vapor deposition (CVD) growth of graphene. Characterization ...
    • Relaxivity Enhancement of Aquated Tris(β-diketonate)gadolinium(III) Chelates by Confinement within Ultrashort Single-walled Carbon Nanotubes 

      Law, Justin J.; Guven, Adem; Wilson, Lon J. (2014)
      Ultrashort single-walled carbon nanotubes loaded with gadolinium ions (gadonanotubes) have been previously shown to exhibit extremely high T1-weighted relaxivities (>100 mM-1s-1). To further examine the effect of nanoconfinement ...
    • Remotely triggered cisplatin release from carbon nanocapsules by radiofrequency fields 

      Raoof, Mustafa; Cisneros, Brandon T.; Guven, Adem; Corr, Stuart J.; Wilson, Lon J.; Curley, Steven A. (2013)
      The efficacy of nanoparticle-mediated drug delivery is limited by its peri-vascular sequestration, thus necessitating a strategy to trigger drug release from such intra-tumoral nanocarrier-drug depots. In our efforts to ...
    • Ring-locking enables selective anhydrosugar synthesis from carbohydrate pyrolysis 

      Chen, Li; Zhao, Jinmo; Pradhan, Sivaram; Brinson, Bruce E.; Scuseria, Gustavo E.; Zhang, Z. Conrad; Wong, Michael S. (2016)
      The selective production of platform chemicals from thermal conversion of biomass-derived carbohydrates is challenging. As precursors to natural products and drug molecules, anhydrosugars are difficult to synthesize from ...
    • The Role of Multifilament Structures and Lateral Interactions in Dynamics of Cytoskeleton Proteins and Assemblies 

      Li, Xin; Kolomeisky, Anatoly B. (2015)
      Microtubules and actin filaments are biopolymer molecules that are major components of cytoskeleton networks in biological cells. They play important roles in supporting fundamental cellular processes such as cell division, ...
    • Role of Static and Dynamic Obstacles in the Protein Search for Targets on DNA 

      Shvets, Alexey; Kochugaeva, Maria; Kolomeisky, Anatoly B. (2015)
      Protein search for specific sequences on DNA marks the beginning of major biological processes. Experiments indicate that proteins find and recognize their targets quickly and efficiently. Because of the large number of ...
    • Scaffolds to Control Inflammation and Facilitate Dental Pulp Regeneration 

      Colombo, John S.; Moore, Amanda N.; Hartgerink, Jeffrey D.; D'Souza, Rena N. (2014)
      In dentistry, the maintenance of a vital dental pulp is of paramount importance because teeth devitalized by root canal treatment may become more brittle and prone to structural failure over time. Advanced carious lesions ...
    • Scattering Spectra of Single Gold Nanoshells 

      Nehl, Colleen L.; Grady, Nathaniel K.; Goodrich, Glenn P.; Tam, Felicia; Halas, Naomi J.; Hafner, Jason H. (2004-11-04)
    • Sequence Effects of Self-Assembling MultiDomain Peptide Hydrogels on Encapsulated SHED Cells 

      Kang, Marci K.; Colombo, John S.; D’Souza, Rena N.; Hartgerink, Jeffrey D. (2014)
      Here we report three new nanofibrous, self-assembling multidomain peptide (MDP) sequences and examine the effect of sequence on the morphology and expansion of encapsulated Stem cells from Human Exfoliated Deciduous teeth ...
    • Sign problem in full configuration interaction quantum Monte Carlo: Linear and sublinear representation regimes for the exact wave function 

      Shepherd, James J.; Scuseria, Gustavo E.; Spencer, James S. (2014)
      We investigate the sign problem for full configuration interaction quantum Monte Carlo (FCIQMC), a stochastic algorithm for finding the ground-state solution of the Schrödinger equation with substantially reduced computational ...
    • A single molecule immunoassay by localized surface plasmon resonance 

      Mayer, Kathryn M.; Hao, Feng; Lee, Seunghyun; Nordlander, Peter; Hafner, Jason H. (2010)
    • Single-Molecule FRET Studies of HIV TAR–DNA Hairpin Unfolding Dynamics 

      Chen, Jixin; Poddar, Nitesh K.; Tauzin, Lawrence J.; Cooper, David; Kolomeisky, Anatoly B.; Landes, Christy F. (2014)
      We directly measure the dynamics of the HIV trans-activation response (TAR)-DNA hairpin with multiple loops using single-molecule Förster resonance energy transfer (smFRET) methods. Multiple FRET states are identified that ...
    • Single-Particle Absorption Spectroscopy by Photothermal Contrast 

      Yorulmaz, Mustafa; Nizzero, Sara; Hoggard, Anneli; Wang, Lin-Yung; Cai, Yiyu; Su, Man-Nung; Chang, Wei-Shun; Link, Stephan (2015)
      Removing effects of sample heterogeneity through single-molecule and single-particle techniques has advanced many fields. While background free luminescence and scattering spectroscopy is widely used, recording the absorption ...
    • Single-Particle Spectroscopy Reveals Heterogeneity in Electrochemical Tuning of the Localized Surface Plasmon 

      Byers, Chad P.; Hoener, Benjamin S.; Chang, Wei-Shun; Yorulmaz, Mustafa; Link, Stephan; Landes, Christy F. (2014)
      A hyperspectral imaging method was developed that allowed the identification of heterogeneous plasmon response from 50 nm diameter gold colloidal particles on a conducting substrate in a transparent three-electrode ...
    • Singlet-paired coupled cluster theory for open shells 

      Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E. (2016)
      Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strongcorrelation. Good coupled ...
    • Size-dependent impacts of silver nanoparticles on the lifespan, fertility, growth, and locomotion of Caenorhabditis elegans 

      Contreras, Elizabeth Q.; Puppala, Hema L.; Escalera, Gabriela; Zhong, Weiwei; Colvin, Vicki L. (2014)
      The increased bioavailability of nanoparticles engineered for good dispersion in water may have biological and environmental impacts. To examine this issue, the authors assessed the biological effects in nematodes as they ...
    • 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 ...