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On the Electronic Structure of mer , trans ‐[RuCl 3 (1 H ‐indazole) 2 (NO)], a Hypothetical Metabolite of the Antitumor Drug Candidate KP1019: An Experimental and DFT Study

Lukáš Bučinský、Gabriel E. Büchel、Robert Ponec 等 16 位作者2013-04-04European Journal of Inorganic Chemistry

Abstract The study reported herein focused on the electronic structure of the {Ru(NO)} 6 fragment and characterization of the oxidation state of ruthenium in mer , trans ‐[RuCl 3 (Hind) 2 (NO)] ( 1 ; Hind = 1 H ‐indazole) resulting from the reaction of mer , trans ‐[RuCl 3 (H 2 O)(Hind) 2 ] ( 2 ) with NO in acetone or…

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms

A rapid process of YBa2Cu3O7−δthin film fabrication using trifluoroacetate metal–organic deposition with polyethylene glycol additive

Wei Wu、Feng Feng、Kai Shi 等 11 位作者2013-04-04Superconductor Science and Technology

Trifluoroacetate metal-organic deposition (TFA-MOD) is a promising technique to fabricate YBa2Cu3O7-δ (YBCO) superconducting films. However, its slow pyrolysis process, which usually takes more than 10 h, constitutes a barrier for industrial production. In this study, polyethylene glycol (PEG) was utilized to reduce t…

Copper Interconnects and ReliabilityAdvanced Materials and MechanicsElectrophoretic Deposition in Materials Science

Electronic Properties and Field‐Effect Transistors of Oligomers End‐Capped with Benzofuran Moieties

Charlotte Mallet、Yahia Didane、Takeshi Watanabe 等 7 位作者2013-04-04ChemPlusChem

Abstract Three new oligomers bearing furan, thiophene, or bithiophene units end‐capped by benzofuran moieties were synthesized and studied with respect to their structural, optical, electrochemical, and electrical properties. A comparison of the electronic properties performed by theoretical calculation, absorption an…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsMolecular Junctions and Nanostructures

Catecholic Chemistry To Obtain Recyclable and Reusable Hybrid Polymeric Particles as Catalytic Systems

Marta Álvarez‐Paino、Gema Marcelo、Alexandra Muñoz‐Bonilla 等 4 位作者2013-04-04Macromolecules

A straightforward approach was proposed to decorate gold nanoparticles onto recyclable supports based on magnetite/polymer composite materials for highly efficient catalysis. Cross-linked particles bearing a controllable content of catechol active residues were synthesized by precipitation polymerization of mussel-ins…

Nanoparticle-Based Drug DeliveryGold and Silver Nanoparticles Synthesis and ApplicationsNanomaterials for catalytic reactions

Investigation of normal and superconducting states in noncentrosymmetric Re24Ti5

C. S. Lue、Hua-Hsing Liu、Chia‐Nung Kuo 等 9 位作者2013-04-04Superconductor Science and Technology

We report a detailed characterization of the noncentrosymmetric superconductor Re24Ti5 using powder x-ray diffraction (XRD), magnetic susceptibility, electrical resistivity, thermal conductivity, Seebeck coefficient, and specific heat measurements. Rietveld refinement of powder XRD data confirms that Re24Ti5 crystalli…

Rare-earth and actinide compoundsIron-based superconductors researchInorganic Chemistry and Materials

Hysteresis measurement of individual multilayered Fe-Ga/Cu nanowires using magnetic force microscopy

Jung Jin Park、Madhukar Reddy、Bethanie J. H. Stadler 等 4 位作者2013-04-04Journal of Applied Physics

We have investigated nano-scale magnetic structures to learn how magnetic behaviors differ from what is observed in bulk materials. In this study, we have measured the magnetic hysteresis of individual multilayered nanowire using a magnetic force microscopy (MFM). The nanowires were composed of low-aspect ratio segmen…

Magnetic properties of thin filmsMagnetic Properties and ApplicationsAnodic Oxide Films and Nanostructures

Porous poly(ε‐caprolactone) scaffolds for load‐bearing tissue regeneration: Solventless fabrication and characterization

Rula M. Allaf、Iris V. Rivero、Noureddine Abidi 等 4 位作者2013-04-04Journal of Biomedical Materials Research Part B Applied Biomaterials

Three-dimensional interconnected porous poly(ε-caprolactone) scaffolds have been prepared by a novel solventless scaffold fabrication approach combining cryomilling and compression molding/porogen leaching techniques. This study investigated the effects of processing parameters on scaffold morphology and properties fo…

Bone Tissue Engineering Materialsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Determination of Specific Binding Interactions at l -Cystine Crystal Surfaces with Chemical Force Microscopy

Trinanjana Mandal、Michael D. Ward2013-04-04Journal of the American Chemical Society

The pathogenesis of L-cystine kidney stones involves four critical steps: nucleation, crystal growth, crystal aggregation, and crystal adhesion to cells. Although inhibition of crystal growth by L-cystine "imposters" at L-cystine crystal surfaces has been suggested as a plausible route for the suppression of stones, u…

Kidney Stones and Urolithiasis TreatmentsRadioactive element chemistry and processingCrystallization and Solubility Studies

Calculation of inhomogeneous-fluid cluster expansions with application to the hard-sphere/hard-wall system

Jung Ho Yang、Andrew J. Schultz、Jeffrey R. Errington 等 4 位作者2013-04-04The Journal of Chemical Physics

We examine the suitability of cluster expansion methods for the description of inhomogeneous fluids. In particular, we apply these methods to characterize the density profile, surface tension, and excess adsorption for a hard-sphere fluid near a hard wall. Coefficients for these series up to seventh order are evaluate…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Investigation on lateral resistance of joints made with drywall and sheet metal screws in bagasse particleboard and comparison with that of commercial MDF

Saeed Eshaghi、Mahdi Faezipour、Hamid R. Taghiyari2013-04-04Maderas Ciencia y tecnología

In this research, effects of screw diameter, screw type, panel type, and end distance on lateral resistance of the joints made with drywall and sheet metal screws were studied in bagasse particleboard and the results were compared to those obtained from commercial medium density fiberboard (MDF). The accuracy of EYM i…

Wood Treatment and PropertiesMaterial Properties and ProcessingEngineering and Material Science Research

Studying the Enrichment of Ice Cream with Alginate Nanoparticles Including Fe and Zn Salts

Armoon Sharifi、Leila Golestan、Mazyar Sharifzadeh Baei2013-04-04Journal of Nanoparticles

The aim of this research was developing alginate nanoparticles as a carrier for food enrichment. In this research, Fe/Zn-loaded alginate nanoparticles were prepared and characterized as point size, morphology, FTIR, loading efficacy (LE), and release properties and used in ice cream structure. After this stage, absorp…

Proteins in Food SystemsNanocomposite Films for Food PackagingMicroencapsulation and Drying Processes

Dielectric properties of stoichiometric and defect-induced hydroxyapatite

Naohiro Horiuchi、J. Endo、Norio Wada 等 8 位作者2013-04-04Journal of Applied Physics

Dehydrated hydroxyapatite (HAp), OH− ion-defect induced hydroxyapatite, was prepared for dielectric measurements. We evaluated the dielectric properties of HAp in 100–500 °C, and found dielectric relaxations of two kinds. At lower temperature, relaxation that was attributed to the reorientations of OH− ions was observ…

Bone Tissue Engineering MaterialsFerroelectric and Piezoelectric MaterialsDental materials and restorations

Mass transport in CuInSe2 from first principles

L. E. Oikkonen、Mariya G. Ganchenkova、Ari P. Seitsonen 等 4 位作者2013-04-04Journal of Applied Physics

The wide scatter in experimental results has not allowed drawing solid conclusions on self-diffusion in the chalcopyrite CuInSe2 (CIS). In this work, the defect-assisted mass transport mechanisms operating in CIS are clarified using first-principles calculations. We present how the stoichiometry of the material and te…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsSemiconductor materials and interfaces

MgO‐Based Binder for Treating Contaminated Sediments: Characteristics of Metal Stabilization and Mineral Carbonation

Kyung‐Yup Hwang、Jeong‐Yun Seo、Hoang Q. H. Phan 等 5 位作者2013-04-04CLEAN - Soil Air Water

We developed a novel mixed binder of MgO (magnesia) and supplementary cementitious materials that can solidify sediments contaminated with heavy metals as well as store CO2 through mineral carbonation reactions. The optimal MgO‐based binder consisted of MgO, lime (L), fly ash (FA), and blast furnace slag (BFS) with a…

Concrete and Cement Materials ResearchCO2 Sequestration and Geologic InteractionsMagnesium Oxide Properties and Applications

Colour due to Cr 3+ ions in oxides: a study of the model system MgO:Cr 3+

J. A. Aramburu、Pablo García‐Fernández、J. M. Garcı́a-Lastra 等 5 位作者2013-04-04Journal of Physics Condensed Matter

Seeking to understand why the cubic centre in MgO:Cr(3+) has the same 10Dq value as emerald, ab initio cluster and periodic supercell calculations have been performed. It is found that the equilibrium Cr(3+)-O(2-) distance, R, in MgO:Cr(3+) is equal to 2.03 Å and thus 0.06 Å higher than that measured for the emerald.…

Luminescence Properties of Advanced MaterialsX-ray Diffraction in CrystallographyPigment Synthesis and Properties

A partitioned correlation function interaction approach for describing electron correlation in atoms

S Verdebout、P Rynkun、P Jönsson 等 6 位作者2013-04-04Journal of Physics B Atomic Molecular and Optical Physics

The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as vale…

Advanced Chemical Physics StudiesMagnetism in coordination complexesAdvanced NMR Techniques and Applications

Ruthenium Sensitizer Functionalized by Acetylacetone Anchoring Groups for Dye-Sensitized Solar Cells

Julien Warnan、Victoire-Marie Guérin、Frédéric B. Anne 等 8 位作者2013-04-04The Journal of Physical Chemistry C

A new ruthenium sensitizer Ru-acac ( cis -bis(thiocyanato)(2,2′-bipyridyl-4,4′-di(3-pentane-2,4-dione)(4,4′-dinonyl-2′-bipyridyl)ruthenium(II)) functionalized by acetylacetone (acac) anchoring groups was synthesized and studied in ZnO-based dye-sensitized solar cells (DSCs). In comparison with the parent ruthenium com…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis

Stabilisation of plasma welding arcs by low power laser beams

Achim Mahrle、Sascha Rose、Michael Schnick 等 5 位作者2013-04-04Science and Technology of Welding & Joining

Results of an experimental study are presented in which the impact of a low power laser beam on the stability behaviour of plasma arcs was investigated. Both heat sources were arranged in a recently developed coaxial set-up. Bead on plate welding trials on AISI 304 stainless steel sheets demonstrated that the addition…

Hydrogen embrittlement and corrosion behaviors in metalsWelding Techniques and Residual StressesNon-Destructive Testing Techniques

Determination of Ms temperature: methods, meaning and influence of ‘slow start’ phenomenon

T. Sourmail、V. Smanio2013-04-04Materials Science and Technology

Knowledge of the martensite start temperature in low and medium alloy steels is of critical importance for steel makers, or any industry involved in the transformation of hardenable steels. Its determination is often carried out by length change measurements in quenching dilatometers. The present paper focuses on the…

Microstructure and Mechanical Properties of SteelsMetallurgy and Material FormingMetal Alloys Wear and Properties

KOH Activation of Thermally Modified Carbon as a Support of Ru Catalysts for Ammonia Synthesis

Bingyu Lin、Kemei Wei、Jun Ni 等 4 位作者2013-04-04ChemCatChem

Abstract Carbon supports with a low ratio of micropore volume to total pore volume can be prepared by KOH activation of thermally modified carbon. KOH treatment of carbons in nitrogen led to the creation of basic sites as well as acidic surface groups, whereas KOH treatment in air resulted in more acidic groups. Steam…

Hydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionNanomaterials for catalytic reactions