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Molecular dynamics simulation of the growth of thin films by deposition of carbon atoms andC60molecules on diamond and silicon substrates

Emilia B. Halac、M. Reinoso、Analía G. Dall’Asén 等 4 位作者2005-03-29Physical Review B

The impact of C atoms and ${\mathrm{C}}_{60}$ molecules with ideal diamond and silicon (100) substrates and the subsequent growth of carbon films have been investigated by molecular dynamics simulations. The interatomic many-body potential proposed by Tersoff has been used. The structural and vibrational properties of…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchIon-surface interactions and analysis

Correlation between conformational stability of the ternary enzyme–substrate complex and domain closure of 3‐phosphoglycerate kinase

Andrea Varga、Beáta Flachner、Éva Gráczer 等 6 位作者2005-03-29FEBS Journal

3-phosphoglycerate kinase (PGK) is a typical two-domain hinge-bending enzyme with a well-structured interdomain region. The mechanism of domain-domain interaction and its regulation by substrate binding is not yet fully understood. Here the existence of strong cooperativity between the two domains was demonstrated by…

Protein Structure and DynamicsProtein Kinase Regulation and GTPase SignalingEnzyme Structure and Function

Characterization of Boria−Alumina Mixed Oxides Prepared by a Sol−Gel Method. 2. Characterization of the Calcined Xerogels

Franck Dumeignil、Monique Rigole、M. Guelton 等 4 位作者2005-03-29Chemistry of Materials

Sol−gel boria−alumina mixed oxides with a wide range of B/Al atomic compositions have been characterized as dried xerogels in the preceding paper in which a structural model with four domains of composition was proposed. The present paper presents the results obtained on the same series of solids after calcination at…

Supercapacitor Materials and FabricationMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

Epitaxial nature and anisotropic dielectric properties of (Pb,Sr)TiO3 thin films on NdGaO3 substrates

Y. Lin、X. Chen、S. W. Liu 等 8 位作者2005-03-29Applied Physics Letters

Epitaxial behavior of (Pb,Sr)TiO3 thin films on (110) NdGaO3 substrates fabricated in different conditions have been investigated using high resolution x-ray diffraction and characterized with interdigital dielectric measurement. A slow cooling results in films with a-axis normal to the surface (a-axis growth), wherea…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisThermal Expansion and Ionic Conductivity

Delocalized Nature of theEδ′Center in Amorphous Silicon Dioxide

Gianpiero Buscarino、S. Agnello、F. M. Gelardi2005-03-29Physical Review Letters

We report an experimental study by electron paramagnetic resonance (EPR) of ${E}_{\ensuremath{\delta}}^{\ensuremath{'}}$ point defect induced by $\ensuremath{\gamma}$-ray irradiation in amorphous $\mathrm{Si}{\mathrm{O}}_{2}$. We obtained an estimation of the intensity of the 10 mT doublet characterizing the EPR spect…

Glass properties and applicationsThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

Contrast‐enhanced MRI with new biodegradable macromolecular Gd(III) complexes in tumor‐bearing mice

Yuda Zong、Xinghe Wang、K. Craig Goodrich 等 6 位作者2005-03-29Magnetic Resonance in Medicine

The structures of polydisulfide-based biodegradable macromolecular Gd(III) complexes were modified to improve their in vivo retention time and MRI contrast enhancement. Steric hindrance was introduced around the disulfide bonds to control their access to free thiols in order to alter the degradation rate of the copoly…

Advanced MRI Techniques and ApplicationsLanthanide and Transition Metal ComplexesMRI in cancer diagnosis

Luminescence blinking of a Si quantum dot in aSiO2shell

Ilya Sychugov、Robert Juhasz、Jan Linnros 等 4 位作者2005-03-29Physical Review B

The phenomenon of on-off luminescence intermittency---blinking---in silicon nanocrystals was studied using a single-dot microphotoluminescence technique. From recordings of the luminescence intensity trace, on- and off-time distributions were extracted revealing exponential behavior, as expected for systems with blink…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Structure and luminescence of BaFBr:Eu2+ and BaFBr:Eu2+, Tb3+ phosphors and thin films

Wei Chen、Shaopeng Wang、Sarah L. Westcott 等 7 位作者2005-03-29Journal of Applied Physics

The inclusion of Tb3+ ions doped into the storage phosphor BaFBr:Eu2+ results in increased purity of the host material as well as an improvement in the linearity of the photostimulated luminescence (PSL) intensity versus the x-ray irradiation dose. Films produced by pulsed laser deposition (PLD) also show similar resu…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesDigital Radiography and Breast Imaging

The Molecular Architecture of Galactose Mutarotase/UDP-Galactose 4-Epimerase from Saccharomyces cerevisiae

James B. Thoden、Hazel M. Holden2005-03-29Journal of Biological Chemistry

The metabolic pathway by which beta-D-galactose is converted to glucose 1-phosphate is known as the Leloir pathway and consists of four enzymes. In most organisms, these enzymes appear to exist as soluble entities in the cytoplasm. In yeast such as Saccharomyces cerevisiae, however, the first and last enzymes of the p…

Protein Structure and DynamicsEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Regioselective Synthesis of Multifunctional Hybrid Polysiloxanes Achieved by Pt−Nanocluster Catalysis

Bhanu P. S. Chauhan、Jitendra S. Rathore2005-03-29Journal of the American Chemical Society

The first example of "Pt"-nanocluster-catalyzed regioselective generation of hybrid polymers via attachment of organic functionalities to evenly distributed Si-H bonds of poly(methylhydro)siloxane is described. In addition, participation of Pt-nanoclusters as an active catalyst was evidenced by various spectroscopic t…

Polyoxometalates: Synthesis and ApplicationsSynthetic Organic Chemistry MethodsSilicone and Siloxane Chemistry

Tumour targeting: biological factors and formulation advances in injectable lipid nanoparticles

Vikram Subraya Shenoy、I K Vijay、R. S. R. Murthy2005-03-29Journal of Pharmacy and Pharmacology

Cancer chemotherapeutic agents are often administered systemically. Following systemic administration, numerous biological factors associated with the tumours influence the delivery of the drugs to the tumours. These factors have been extensively studied for the last 2 decades. The influence of these biological factor…

Nanoparticle-Based Drug DeliveryLipid Membrane Structure and BehaviorRNA Interference and Gene Delivery

Particle-Stabilized Emulsions Comprised of Solid Droplets

Joanna Giermańska、V. Laine、S. Arditty 等 5 位作者2005-03-29Langmuir

We kinetically stabilize oil-in-water emulsions comprising paraffin crystals by adsorbing solid particles (silica) of colloidal size at the oil/water interface. We obtain a set of emulsions that are quiescently stable for a long period of time (months), while the same emulsions are destabilized after only a few hours…

Enhanced Oil Recovery TechniquesSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Gadolinium Meets Medicinal Chemistry: MRI Contrast Agent Development

Zhaoda Zhang、Shrikumar Nair、Thomas J. McMurry2005-03-29Current Medicinal Chemistry

Magnetic resonance imaging (MRI) contrast agents are utilized adjunctively to enhance the contrast between normal and abnormal structures on MRI scans. Along with the rapid evolution of the field has come a new appreciation for the medicinal chemistry of this unique class of metallopharmaceuticals. The efficacy of MRI…

Lanthanide and Transition Metal ComplexesRadiopharmaceutical Chemistry and ApplicationsChemical Reactions and Isotopes

Synthesis of Carbide-Derived Carbon by Chlorination of Ti2AlC

Elizabeth Hoffman、Gleb Yushin、Michel W. Barsoum 等 4 位作者2005-03-29Chemistry of Materials

Nanoporous carbide-derived carbon (CDC) was synthesized starting with Ti 2 AlC powders via chlorination in the 400−1200 °C temperature range. X-ray diffraction, Raman spectroscopy, and transmission electron microscopy (TEM) confirmed a structural dependence on chlorination temperature. At low chlorination temperatures…

Advanced ceramic materials synthesisMXene and MAX Phase MaterialsAdvanced materials and composites

The Reactivity of Defects at the Sidewalls of Single-Walled Carbon Nanotubes: The Stone−Wales Defect

Holger F. Bettinger2005-03-29The Journal of Physical Chemistry B

The reactivity of 5/7/7/5 (Stone-Wales, SW) defects is compared to that of the pristine sidewalls of (5,5) and (10,0) carbon nanotubes (CNTs) using density functional theory (PBE). Infinite tube models (periodic boundary conditions) are used to investigate the reaction energy for CH(2) addition to the ten [5,6], [5,7]…

Carbon Nanotubes in CompositesGraphene research and applicationsChemical and Physical Properties of Materials

Novel Approach for Metallic Surface-Initiated Atom Transfer Radical Polymerization Using Electrografted Initiators Based on Aryl Diazonium Salts

Tarik Matrab、Mohamed M. Chehimi、Christian Perruchot 等 9 位作者2005-03-29Langmuir

This paper reports on the preparation of poly(methyl methacrylate) (PMMA), poly(n-butyl acrylate) (PBA), and polystyrene (PS) brushes at the surface of conducting materials that were modified by the electrochemical reduction of a brominated aryl diazonium salt BF4-, +N2-C6H4-CH(CH3)-Br (D1). The grafted organic specie…

Advanced Polymer Synthesis and CharacterizationConducting polymers and applicationsPolymer Surface Interaction Studies

Iopamidol: Exploring the potential use of a well‐established x‐ray contrast agent for MRI

Silvio Aime、Luisella Calabi、Luca Biondi 等 8 位作者2005-03-29Magnetic Resonance in Medicine

Iopamidol is one of the most common contrast media used for diagnostic CT-based clinical protocols. Chemically, this molecule contains two pools of mobile protons (amide and alcoholic) that are in exchange with water. At 7.05 T, pH 7.4, and 312 K, the exchange rate of the alcoholic protons is too fast to affect the NM…

Advanced MRI Techniques and ApplicationsRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Template-Directed Dynamic Synthesis of Mechanically Interlocked Dendrimers

Ken Cham‐Fai Leung、Fabio Aricò、Stuart Cantrill 等 4 位作者2005-03-29Journal of the American Chemical Society

The versatility and efficiency of dynamic covalent chemistry (DCC) has been exploited in the convergent synthesis of mechanically interlocked dendrimers that are based upon the mutual recognition expressed between secondary dialkylammonium ions and crown ether-like macrocycles. Reversible imine bond formation is emplo…

Supramolecular Chemistry and ComplexesChemical Synthesis and AnalysisDendrimers and Hyperbranched Polymers

Structure-derived electronic and optical properties of transparent conducting oxides

David Segev、Su‐Huai Wei2005-03-29Physical Review B

Using the first-principles method, we have studied the stability and electronic band structures of the transparent conducting oxides $\mathrm{Sn}{\mathrm{Zn}}_{2}{\mathrm{O}}_{4}$, $\mathrm{Sn}{\mathrm{Cd}}_{2}{\mathrm{O}}_{4}$, and $\mathrm{Cd}{\mathrm{In}}_{2}{\mathrm{O}}_{4}$. Our calculated lowest-energy phases of…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Surface-Enhanced Fluorescence of Fluorescein-Labeled Oligonucleotides Capped on Silver Nanoparticles

Jian Zhang、Joanna Malicka、Ignacy Gryczyński 等 4 位作者2005-03-29The Journal of Physical Chemistry B

Tiopronin monolayer-protected silver nanoparticles with different core sizes (average diameter = 2, 5, 20 nm) were prepared by using different mole ratios of silver nitrate/tiopronin. Ligands on the silver particles were partially displaced by fluorescein-labeled thiolate single-stranded oligonucleotides or their comp…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesNanocluster Synthesis and Applications