Now showing items 230-249 of 325

    • 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 ...
    • Rapid heteroatom transfer to arylmetals utilizing multifunctional reagent scaffolds 

      Gao, Hongyin; Zhou, Zhe; Kwon, Doo-Hyun; Coombs, James; Jones, Steven; Behnke, Nicole Erin; Ess, Daniel H.; Kürti, László (2016)
      Arylmetals are highly valuable carbon nucleophiles that are readily and inexpensively prepared from aryl halides or arenes and widely used on both laboratory and industrial scales to react directly with a wide range of ...
    • 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 ...
    • Resonant Coupling between Molecular Vibrations and Localized Surface Plasmon Resonance of Faceted Metal Oxide Nanocrystals 

      Agrawal, Ankit; Singh, Ajay; Yazdi, Sadegh; Singh, Amita; Ong, Gary K.; Bustillo, Karen; Johns, Robert W.; Ringe, Emilie; Milliron, Delia J. (2017)
      Doped metal oxides are plasmonic materials that boast both synthetic and postsynthetic spectral tunability. They have already enabled promising smart window and optoelectronic technologies and have been proposed for use ...
    • Reversible Shape and Plasmon Tuning in Hollow AgAu Nanorods 

      Yazdi, Sadegh; Daniel, Josée R.; Large, Nicolas; Schatz, George C.; Boudreau, Denis; Ringe, Emilie (2016)
      The internal structure of hollow AgAu nanorods created by partial galvanic replacement was manipulated reversibly, and its effect on optical properties was mapped with nanometer resolution. Using the electron beam in a ...
    • Rhodium(II) Proximity-Labeling Identifies a Novel Target Site on STAT3 for Inhibitors with Potent Anti-Leukemia Activity 

      Minus, Matthew B.; Liu, Wei; Vohidov, Farrukh; Kasembeli, Moses M.; Long, Xin; Krueger, Michael; Stevens, Alexandra; Kolosov, Mikhail I.; Tweardy, David J.; Sison, Edward Allen R.; Redell, Michele S.; Ball, Zachary T (2015)
      Nearly 40 % of children with acute myeloid leukemia (AML) suffer relapse arising from chemoresistance, often involving upregulation of the oncoprotein STAT3 (signal transducer and activator of transcription 3). Herein, ...
    • 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 ...
    • Rivet Graphene 

      Li, Xinlu; Sha, Junwei; Lee, Seoung-Ki; Li, Yilun; Ji, Yongsung; Zhao, Yujie; Tour, James M. (2016)
      Large-area graphene has emerged as a promising material for use in flexible and transparent electronics due to its flexibility and optical and electronic properties. The anchoring of transition metal nanoparticles on ...
    • The Role of DNA Looping in the Search for Specific Targets on DNA by Multisite Proteins 

      Shvets, Alexey A.; Kolomeisky, Anatoly B. (2016)
      Many cellular processes involve simultaneous interactions between DNA and protein molecules at several locations. They are regulated and controlled by special protein–DNA complexes, which are known as synaptic complexes ...
    • 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)
    • Seniority zero pair coupled cluster doubles theory 

      Stein, Tamar; Henderson, Thomas M.; Scuseria, Gustavo E. (2014)
      Coupled clusterᅠtheoryᅠwith single and doubleᅠexcitationsᅠaccurately describes weak electronᅠcorrelationᅠbut is known to fail in cases of strong staticᅠcorrelation.ᅠFascinatingly, however, pairᅠcoupled clusterᅠdoubles ...
    • Seniority-based coupled cluster theory 

      Henderson, Thomas M.; Bulik, Ireneusz W.; Stein, Tamar; Scuseria, Gustavo E. (2014)
      Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, ...
    • 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 ...