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Ab Initio and Coupled-Perturbed Density Functional Theory Estimation of Zero-Field Splittings in MnII Transition Metal Complexes

Samir Zein、Frank Neese2008-08-01The Journal of Physical Chemistry A

The paper presents a method comparison for the prediction of zero-field splitting (ZFS) parameters in a series of Mn (II) coordination complexes. The test set consists of Mn (II) complexes that are experimentally well-characterized by X-ray diffraction and high-field electron paramagnetic resonance. Their ZFS paramete…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Innovation in producing crane rail fishplate using Fe–Mn–Si–Cr based shape memory alloy

Takahiro Maruyama、T. Kurita、Shigeru Kozaki 等 6 位作者2008-08-01Materials Science and Technology

An Fe–Mn–Si–Cr shape memory alloy is applied to make crane rail fishplates. The shape recovery of the reverse martensite transformation from hcp to fcc is utilised to connect finite lengths of rail. Rails connected by normal steel fishplates gradually become separated at the joint and can be damaged by broken flakes i…

Shape Memory Alloy TransformationsTitanium Alloys Microstructure and Properties

The role of biomimetism in developing nanostructured inorganic matrices for drug delivery

Norberto Roveri、Barbara Palazzo、Michele Iafisco2008-08-01Expert Opinion on Drug Delivery

BACKGROUND: Biomimetism of synthetic biomaterials can be carried out at different levels, such as composition, structure, morphology, bulk and surface chemical-physical properties. Biomaterials can be turned into biomimetic imprinting of all these characteristics in order not only to optimise their interaction with bi…

Bone Tissue Engineering MaterialsMesoporous Materials and CatalysisDiatoms and Algae Research

Magnetoplasmons in layered graphene structures

Oleg L. Berman、Godfrey Gumbs、Yu. E. Lozovik2008-08-01Physical Review B

We calculate the dispersion equations for magnetoplasmons in a single layer, a pair of parallel layers, a graphite bilayer, and a superlattice of graphene layers in a perpendicular magnetic field. We demonstrate the feasibility of a drift-induced instability of magnetoplasmons. The magnetoplasmon instability in a supe…

Graphene research and applicationsPlasmonic and Surface Plasmon ResearchTopological Materials and Phenomena

Water-Dispersed Single-Wall Carbon Nanohorns as Drug Carriers for Local Cancer Chemotherapy

Tatsuya Murakami、Hirohide Sawada、Goshu Tamura 等 6 位作者2008-08-01Nanomedicine

AIM: Functional analyses of water-dispersed carbon nanohorns with antitumor activity were performed to explore their potential as a drug carrier for local cancer chemotherapy. MATERIALS & METHODS: Water-dispersed carbon nanohorns were prepared through adsorption of polyethylene glycol-doxorubicin conjugate (PEG-DXR) o…

Nanoparticle-Based Drug DeliveryNanoparticles: synthesis and applicationsGraphene and Nanomaterials Applications

Electrical, thermal, and elastic properties of theMAX-phase Ti2SC

T. H. Scabarozi、Shahram Amini、Peter Finkel 等 11 位作者2008-08-01Journal of Applied Physics

We report on the electronic, thermal, and elastic properties of the layered ternary, Ti2SC. Resistivity, Hall effect, and magnetoresistance were measured as a function of temperature between 2 and 300 K and at fields up to 9 T. The Hall coefficient is negative and roughly temperature independent. The transport results…

2D Materials and ApplicationsMXene and MAX Phase MaterialsFerroelectric and Negative Capacitance Devices

Low-temperature FTIR study of kaolin-group minerals

Cliff T. Johnston、Jessica Elzea Kogel、D. L. Bish 等 5 位作者2008-08-01Clays and Clay Minerals

Abstract Low-temperature FTIR spectroscopy was used to characterize the v(OH) region of kaolin-group minerals including well ordered to poorly ordered kaolins from Georgia, Brazil, and England, along with samples of discrete dickite and nacrite. Low-temperature FTIR spectra were useful in resolving dickite- and nacrit…

Geological and Geochemical AnalysisSoil and Unsaturated FlowClay minerals and soil interactions

Bandgap renormalization in titania modified nanostructured tungsten oxide thin films prepared by pulsed laser deposition technique for solar cell applications

K.J. Lethy、D. Beena、V.P. Mahadevan Pillai 等 4 位作者2008-08-01Journal of Applied Physics

Pure and titania modified WO3 films are prepared using pulsed laser ablation technique in an oxygen ambient of 0.12mbar at a substrate temperature of 873K. Titania incorporation effects on the microstructure, optical, and electrical properties on the tungsten oxide films are systematically investigated using technique…

ZnO doping and propertiesTransition Metal Oxide NanomaterialsGa2O3 and related materials

Surface crystallography and electronic structure of potassium yttrium tungstate

Victor V. Atuchin∥⊥、L.D. Pokrovsky、O.Yu. Khyzhun 等 5 位作者2008-08-01Journal of Applied Physics

Structural and electronic characteristics of KY(WO4)2 (KYW) (010) crystal surfaces have been studied using reflection high-energy electron diffraction (RHEED) and x-ray photoelectron spectroscopy (XPS). The results indicate that the crystal structure and chemical composition of the mechanically polished pristine surfa…

Luminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsSolid State Laser Technologies

Experimental and theoretical study of the morphology of commensurate and incommensurate graphene layers on Ni single-crystal surfaces

Dmitry Yu. Usachov、A. M. Dobrotvorskiǐ、A. Varykhalov 等 7 位作者2008-08-01Physical Review B

The paper reports on a scanning tunneling microscopy (STM) study and computer simulation with an N-body interatomic interaction potential of a graphite monolayer (i.e., graphene) on the Ni(111), (110), (755), and (771) single-crystal surfaces. Unlike the case of graphene on Ni(111), which forms a solid single-crystal…

Graphene research and applicationsChemical and Physical Properties of MaterialsSurface and Thin Film Phenomena

Dynamics of ferroelectric nanodomains in BaTiO3epitaxial thin films via piezoresponse force microscopy

N. A. Pertsev、A. Petraru、H. Kohlstedt 等 7 位作者2008-08-01Nanotechnology

Ferroelectric nanodomains were created in BaTiO(3) thin films by applying a voltage to a sharp conducting tip of a scanning force microscope (SFM). The films were epitaxially grown on SrRuO(3)-covered (001)-oriented SrTiO(3) substrates by a high-pressure sputtering. They appeared to be single-crystalline with the (001…

Ferroelectric and Piezoelectric MaterialsForce Microscopy Techniques and ApplicationsAcoustic Wave Resonator Technologies

Peptide‐Grafted Nanodiamonds: Preparation, Cytotoxicity and Uptake in Cells

Stéphanie Vial、Christelle Mansuy、Sandrine Sagan 等 8 位作者2008-08-01ChemBioChem

Nanodiamonds that were prepared by high pressure/high temperature were functionalized with biomolecules for biological applications. Nanodiamonds (NDs, < or =35 nm) that were coated by silanization or with polyelectrolyte layers were grafted with a fluorescent thiolated peptide via a maleimido function; this led to an…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchForce Microscopy Techniques and Applications

A Theoretical Investigation of the Selective Oxidation of Methanol to Formaldehyde on Isolated Vanadate Species Supported on Titania

Anthony Goodrow、Alexis T. Bell2008-08-01The Journal of Physical Chemistry C

The selective oxidation of methanol to formaldehyde occurring on titania-supported vanadate species has been analyzed theoretically with the aim of understanding why the activity of VO x /TiO 2 is ∼10 3 faster than that of VO x /SiO 2 . The active site was represented by a [(O) 3 V═O] group located at the corner of a…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsOxidative Organic Chemistry Reactions

Mussel-designed Protective Coatings for Compliant Substrates

Niels Holten‐Andersen、J. Herbert Waite2008-08-01Journal of Dental Research

The byssus of marine mussels has attracted attention as a paradigm of strong and versatile underwater adhesion. As the first of the 3,4-dihydroxyphenylalanine (Dopa)-containing byssal precursors to be purified, Mytilus edulis foot protein-1 (mefp-1) has been much investigated with respect to its molecular structure, p…

Polymer Surface Interaction StudiesAdhesion, Friction, and Surface InteractionsMarine Biology and Environmental Chemistry

Ti Nano-nodular Structuring for Bone Integration and Regeneration

Takahiro Ogawa、Lei Saruwatari、K. Takeuchi 等 5 位作者2008-08-01Journal of Dental Research

Nanostructuring technology has been proven to create unique biological properties in various biomaterials. Here we present a discovered phenomenon of titanium nano-nodular self-assembly that occurs during physical vapor depositions of titanium (Ti) onto specifically conditioned micro-textured titanium surfaces, and te…

Bone Tissue Engineering MaterialsPolymer Surface Interaction StudiesBlock Copolymer Self-Assembly

Study on Composite Material for Shielding Mixed Neutron and $\gamma$-Rays

Huasi Hu、Qunshu Wang、Juan Qin 等 24 位作者2008-08-01IEEE Transactions on Nuclear Science

Optimized lightweight, compact and high temperature sustaining shielding materials for neutron and gamma radiation were developed by genetic algorithms (GA) combined with the Monte Carlo N-Particle (MCNP) code. A series of samples were designed according to the method. Deep penetration tests by the MCNP code were comp…

Nuclear Physics and ApplicationsRadiation Shielding Materials AnalysisGraphite, nuclear technology, radiation studies

Adventures in the synthesis of meso-substituted corroles

Daniel T. Gryko2008-08-01Journal of Porphyrins and Phthalocyanines

This personal account describes how methodology for the synthesis of meso-substituted corroles reached the mature state within just a few years. Both latest developments and many dead-end attempts are described. The comprehensive comparison of conditions of the reaction of aldehydes with dipyrromethanes leading to tra…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsOrganic Chemistry Cycloaddition Reactions

Nanotechnology for Nanomedicine and Delivery of Drugs

Jayarama Reddy Venugopal、Molamma P. Prabhakaran、Sharon Low 等 7 位作者2008-08-01Current Pharmaceutical Design

Nanotechnology is an emerging technology seeking to exploit distinct technological advances controlling the structure of materials at a reduced dimensional scale approaching individual molecules and their aggregates or supramolecular structures. The manipulation and utilization of materials at nanoscale are expected t…

Electrospun Nanofibers in Biomedical Applications

Active Site Mapping of MraY, a Member of the Polyprenyl-phosphate N-Acetylhexosamine 1-Phosphate Transferase Superfamily, Catalyzing the First Membrane Step of Peptidoglycan Biosynthesis

Bayan Al-Dabbagh、Xavier Henry、Meriem El Ghachi 等 8 位作者2008-08-01Biochemistry

The MraY transferase is an integral membrane protein that catalyzes an essential step of peptidoglycan biosynthesis, namely the transfer of the phospho-N-acetylmuramoyl-pentapeptide motif onto the undecaprenyl phosphate carrier lipid. It belongs to a large superfamily of eukaryotic and prokaryotic prenyl sugar transfe…

Bacterial Genetics and BiotechnologyGlycosylation and Glycoproteins ResearchEnzyme Structure and Function

Electrical and magnetic properties of multiferroic BiFeO3/CoFe2O4 heterostructure

Rongyan Zheng、Junyong Wang、Seeram Ramakrishna2008-08-01Journal of Applied Physics

To realize a magnetoelectric heterostructure with desired ferroelectric and magnetic properties, a heterostructure consisting of BiFeO3 (BFO)/CoFe2O4 (CFO) layers has been grown on SrRuO3 buffered Pt/TiO2/SiO2/Si substrate by rf sputtering. X-ray diffraction shows that the BFO and CFO phases have been successfully ret…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsTeratomas and Epidermoid Cysts