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Locally Weighted Learning Methods for Predicting Dose-Dependent Toxicity with Application to the Human Maximum Recommended Daily Dose

Ruifeng Liu、Gregory J. Tawa、Anders Wallqvist2012-09-10Chemical Research in Toxicology

Toxicological experiments in animals are carried out to determine the type and severity of any potential toxic effect associated with a new lead compound. The collected data are then used to extrapolate the effects on humans and determine initial dose regimens for clinical trials. The underlying assumption is that the…

Computational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesMachine Learning in Materials Science

Growth of continuous and ultrathin platinum films on tungsten adhesion layers using atomic layer deposition techniques

Layton Baker、A. S. Cavanagh、Jun Yin 等 6 位作者2012-09-10Applied Physics Letters

Continuous and ultrathin platinum (Pt) films were deposited on tungsten (W) adhesion layers using atomic layer deposition (ALD) techniques. Pt ALD films were deposited at 120 °C using MeCpPtMe3 and H2 plasma as the reactants. X-ray reflectivity studies observed the rapid nucleation of the Pt film. X-ray photoelectron…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceSemiconductor materials and devices

Ash Transport in Diesel Particle Filters

Achim Dittler2012-09-10SAE technical papers on CD-ROM/SAE technical paper series

Lubricant oil derived ash deposits still represent a major issue in diesel particulate filter operation in vehicles. In literature various ash deposition patterns are described. The two boundary deposition patterns are (a) wall layer and (b) filling at the back end of the inlet channels. The patterns are often associa…

Catalytic Processes in Materials ScienceAerosol Filtration and Electrostatic PrecipitationElectrohydrodynamics and Fluid Dynamics

Advanced Thermal Modeling and Experimental Performance of Oil Distribution Transformers

Miguel E. Rosillo、Carlos A. Herrera、G. Jaramillo2012-09-10IEEE Transactions on Power Delivery

This paper presents an analysis of the thermal behavior of a 15-kVA ONAN distribution transformer. Design, performance, and service-life improvements come into view from this study. The mathematical model, conceived as a 3-D solid-oil-environment extended system, considers all modes of heat transfer, including radiati…

High voltage insulation and dielectric phenomenaHeat Transfer and Boiling StudiesPower Transformer Diagnostics and Insulation

Low-energy electron transmission imaging of clusters on free-standing graphene

Jean-Nicolas Longchamp、Tatiana Latychevskaia、Conrad Escher 等 4 位作者2012-09-10Applied Physics Letters

We investigated the utility of free-standing graphene as a transparent sample carrier for imaging nanometer-sized objects by means of low-energy electron holography. The sample preparation for obtaining contamination-free graphene as well as the experimental setup and findings are discussed. For incoming electrons wit…

Graphene research and applicationsAdvanced Electron Microscopy Techniques and ApplicationsElectron and X-Ray Spectroscopy Techniques

Largely π-Extended Thienoacenes with Internal Thieno[3,2-b]thiophene Substructures: Synthesis, Characterization, and Organic Field-Effect Transistor Applications

Tatsuya Yamamoto、Takeshi Nishimura、Takamichi Mori 等 6 位作者2012-09-10Organic Letters

Two largely π-extended thienoacenes with internal thieno[3,2-b]thiophene substructures, i.e., bis[1]benzothieno[2,3-d;2',3'-d']benzo[1,2-b;4,5-b']dithiophene (BBTBDT) and bis(naphtho[2,3-b]thieno)[2,3-d;2',3'-d']benzo[1,2-b;4,5-b']dithiophene (BNTBDT), were synthesized, characterized, and evaluated as an active layer…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications

On the Origins of Faster Oxo Exchange for Uranyl(V) versus Plutonyl(V)

Daniel Ríos、María del Carmen Michelini、Ana F. Lucena 等 5 位作者2012-09-10Journal of the American Chemical Society

Activation of uranyl(V) oxo bonds in the gas phase is demonstrated by reaction of U(16)O(2)(+) with H(2)(18)O to produce U(16)O(18)O(+) and U(18)O(2)(+). In contrast, neptunyl(V) and plutonyl(V) are comparatively inert toward exchange. Computed potential energy profiles (PEPs) reveal a lower yl oxo exchange transition…

Radioactive element chemistry and processingLanthanide and Transition Metal ComplexesChemical Synthesis and Characterization

Adsorption of Solvent Cations on Au(111) and Au(100) in Alkylimidazolium-Based Ionic Liquids – Worm-Like versus Micelle-Like Structures

Yu‐Zhuan Su、Jiawei Yan、Mian-Gang Li 等 6 位作者2012-09-10Zeitschrift für Physikalische Chemie

Abstract By employing high resolution in-situ STM, the adsorption of alkylimidazolium-based cations of EMI + , PMI + , BMI + and OMI + on Au(111) and Au(100) surfaces are investigated systematically. The cation adsorption on both Au(111) and Au(100) are composed of double rows arising from counter-facing imidazolium-b…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationIonic liquids properties and applications

Amorphous InGaZnO Thin-Film Transistors—Part II: Modeling and Simulation of Negative Bias Illumination Stress-Induced Instability

Yongsik Kim、Sung‐Chul Kim、Woojoon Kim 等 9 位作者2012-09-10IEEE Transactions on Electron Devices

Based on the physical model of amorphous InGaZnO (a-IGZO) thin-film transistors (TFTs) and the extracted density of states described in Part I, a quantitative investigation of mechanisms on the negative bias illumination stress (NBIS)-induced threshold voltageVTinstability of a-IGZO TFTs is presented. It is found that…

ZnO doping and propertiesThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

Long-Term Clinical and Echocardiographic Follow-Up of the Freestyle Stentless Aortic Bioprosthesis

Siamak Mohammadi、Vincent Tchana‐Sato、Dimitri Kalavrouziotis 等 10 位作者2012-09-10Circulation

BACKGROUND: Stentless aortic bioprostheses were designed to provide enhanced hemodynamic performance and potentially greater longevity. The present report describes the outcomes of patients with the Freestyle stentless bioprosthesis followed for ≤18 years. METHODS AND RESULTS: Between 1993 and 2011, 430 patients under…

Cardiac Valve Diseases and TreatmentsAortic Disease and Treatment ApproachesElectrospun Nanofibers in Biomedical Applications

Sensing of damage in carbon nanotubes and carbon black‐embedded epoxy under tensile loading

Venkat K. Vadlamani、Vijaya Chalivendra、Arun Shukla 等 4 位作者2012-09-10Polymer Composites

Abstract In situ sensing of damage in epoxy embedded separately with carbon nanotubes (CNTs) and carbon black (CB) microparticles is investigated under quasi‐static uniaxial tensile loading. Three different weight fractions of CNTs (0.1, 0.3%, and 0.5%) and one‐weight fraction of CB (10%) are used to generate a conduc…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsSmart Materials for Construction

Dual modes of motility at the leading edge of migrating epithelial cell sheets

Jes K. Klarlund2012-09-10Proceedings of the National Academy of Sciences

Purse-string healing is driven by contraction of actin/myosin cables that span cells at wound edges, and it is the predominant mode of closing small round wounds in embryonic and some adult epithelia. Wounds can also heal by cell crawling, and my colleagues and I have shown previously that the presence of unconstraine…

Cellular Mechanics and InteractionsElectrospun Nanofibers in Biomedical ApplicationsWound Healing and Treatments

Plasma Species Interacting with Nickel Surfaces: Toward an Atomic Scale Understanding of Plasma-Catalysis

Wesley Somers、Annemie Bogaerts、Adri C. T. van Duin 等 4 位作者2012-09-10The Journal of Physical Chemistry C

The adsorption probability and reaction behavior of CH x plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further in…

Advanced Chemical Physics StudiesCatalytic Processes in Materials Sciencenanoparticles nucleation surface interactions

Preparation and Performance of Polyimide-Reinforced Clay Aerogel Composites

Wei Wu、Kai Wang、Mao‒Sheng Zhan2012-09-10Industrial & Engineering Chemistry Research

Low-density polyimide (PI)/clay aerogel composites were produced by freeze-drying of a poly(amic acid) ammonium salt/clay precursor suspension, followed by a multistep temperature-programmed imidization. The densities of the resulting aerogel composites were in the range of 0.04–0.09 g·cm –3 . With the increase of PI…

Mesoporous Materials and CatalysisAerogels and thermal insulationSilicone and Siloxane Chemistry

Understanding the Structure Factor and Isothermal Compressibility of Ambient Water in Terms of Local Structural Environments

S. D. Overduin、G. N. Patey2012-09-10The Journal of Physical Chemistry B

We determine contributions to the structure factor of ambient water (modeled using the TIP4P/2005 potential) from molecules with different local structural environments, distinguished based on a tetrahedral order parameter. The small wavenumber behavior of the partial structure factors indicates the presence of effect…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesQuantum, superfluid, helium dynamics

Black silicon with controllable macropore array for enhanced photoelectrochemical performance

Xianyu Ao、Xili Tong、Dong‐Sik Kim 等 8 位作者2012-09-10Applied Physics Letters

Macroporous silicon with multiscale texture for reflection suppression and light trapping was achieved through a controllable electrochemical etching process. It was coated with TiO2 by atomic layer deposition, and used as the photoanode in photocatalytic water splitting. A conformal pn-junction was also built-in in o…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsAnodic Oxide Films and Nanostructures

Processing of degradable ulvan 3D porous structures for biomedical applications

Anabela Alves、Rui A. Sousa、Rui L. Reis2012-09-10Journal of Biomedical Materials Research Part A

The interest in ulvan within a biomedical framework increases as the knowledge of this polysaccharide evolves. Ulvan has been recently proposed as a potential biomaterial, and structures based on this polysaccharide are now being studied for different biomedical applications. In this work, a novel porous structure bas…

Hydrogels: synthesis, properties, applicationsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

In Vivo Photoacoustic Therapy with Cancer-Targeted Indocyanine Green-Containing Nanoparticles

Junping Zhong、Sihua Yang、Xiaohui Zheng 等 5 位作者2012-09-10Nanomedicine

AIM: The objective of this work was to study the photoacoustic effect of a special nanoparticle for selective cancer cell killing both in vitro and in vivo. MATERIALS & METHODS: The nanoparticles (NPs) consisting of indocyanine green (ICG), phospholipid-polyethylene glycol (PL-PEG) and folic acid (FA) were used as can…

Nanoparticle-Based Drug DeliveryNanoplatforms for cancer theranosticsPhotoacoustic and Ultrasonic Imaging

Near-field enhanced ultraviolet resonance Raman spectroscopy using aluminum bow-tie nano-antenna

Ling Li、Shuang Fang Lim、Alexander A. Puretzky 等 5 位作者2012-09-10Applied Physics Letters

An aluminum bow-tie nano-antenna is combined with the resonance Raman effect in the deep ultraviolet to dramatically increase the sensitivity of Raman spectra to a small volume of material, such as benzene used here. We further demonstrate gradient-field Raman peaks for several strong infrared modes. We achieve a gain…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchNear-Field Optical Microscopy

Modulation of a Pre-existing Conformational Equilibrium Tunes Adenylate Kinase Activity

Jörgen Ådén、Abhinav Verma、Alexander Schug 等 4 位作者2012-09-10Journal of the American Chemical Society

Structural plasticity is often required for distinct microscopic steps during enzymatic reaction cycles. Adenylate kinase from Escherichia coli (AK(eco)) populates two major conformations in solution; the open (inactive) and closed (active) state, and the overall turnover rate is inversely proportional to the lifetime…

Protein Structure and DynamicsBacterial Genetics and BiotechnologyEnzyme Structure and Function