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HFEPR and Computational Studies on the Electronic Structure of a High-Spin Oxidoiron(IV) Complex in Solution

Lukáš Bučinský、Gregory T. Rohde、Lawrence Que 等 7 位作者2016-03-31Inorganic Chemistry

Nonheme iron enzymes perform diverse and important functions in biochemistry. The active form of these enzymes comprises the ferryl, oxidoiron(IV), [FeO](2+) unit. In enzymes, this unit is in the high-spin, quintet, S = 2, ground state, while many synthetic model compounds exist in the spin triplet, S = 1, ground stat…

Porphyrin and Phthalocyanine ChemistryLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms

Core fusion power gain and alpha heating in JET, TFTR, and ITER

R. Budny、J.G. Cordey2016-03-31Nuclear Fusion

Abstract Profiles of the ratio of fusion power and the auxiliary heating power q DT are calculated for the TFTR and JET discharges with the highest neutron emission rates, and are predicted for ITER. Core values above 1.3 for JET and 0.8 for TFTR are obtained. Values above 20 are predicted for ITER baseline plasmas.

Magnetic confinement fusion researchLaser-Plasma Interactions and DiagnosticsFusion materials and technologies

ASSESSMENT OF INHALATION DOSE FROM THE INDOOR222Rn AND220Rn USING RAD7 AND PINHOLE CUP DOSEMETERS

Rohit Mehra、Rajan Jakhu、Pargin Bangotra 等 5 位作者2016-03-31Radiation Protection Dosimetry

Radon is the most important source of natural radiation and is responsible for approximately half of the received dose from all sources. Most of this dose is from inhalation of the radon progeny, especially in closed atmospheres. Concentration of radon (222Rn) and thoron (220Rn) in the different villages of Jalandhar…

Radiation Dose and ImagingRadioactivity and Radon MeasurementsGraphite, nuclear technology, radiation studies

Magnetic quantum criticality in quasi‐one‐dimensional Heisenberg antiferromagnet

V. R. Shaginyan、V. A. Stephanovich、К. Г. Попов 等 5 位作者2016-03-31Annalen der Physik

We analyze exciting recent measurements [Phys. Rev. Lett. 114 (2015) 037202] of the magnetization, differential susceptibility and specific heat on one dimensional Heisenberg antiferromagnet Cu(C4H4N2)(NO3)2 (CuPzN) subjected to strong magnetic fields. Using the mapping between magnons (bosons) in CuPzN and fermions,…

Physics of Superconductivity and MagnetismTheoretical and Computational PhysicsOrganic and Molecular Conductors Research

High Detectivity Organic Photodetectors With Molybdenum (VI) Oxide and C60Layers

Il Ku Kim、Jun Jo2016-03-31IEEE Sensors Journal

This paper proposes high-sensitive polymer/ fullerene bulk-heterojunction organic photodetectors (OPDs). A typical polymeric hole transport layer, (poly(3,4-ethylenedioxythophene):poly(styrenesulfonate), has substitutes with a molybdenum (VI) oxide (MoO3) layer. A thin C60 hole blocking layer was also introduced to re…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsNanowire Synthesis and Applications

A Superior Description of AC Behavior in Polycrystalline Solid Electrolytes with Current-Constriction Effects

Jong‐Sook Lee、Jong‐Sook Lee2016-03-31Journal of the Korean Ceramic Society

The conventional brick-layer model is not satisfactory either in theory or in practice for the description of dispersive responses of polycrystalline solid electrolytes with current-constriction effects at the grain boundaries. Parallel networks of complex dielectric functions have been shown to successfully describe…

Advanced Battery Materials and TechnologiesSolid-state spectroscopy and crystallographyElectrostatics and Colloid Interactions

Chiral HPLC and physical characterisation of orthoconic antiferroelectric liquid crystals

Terézia Vojtylová、Magdalena Żurowska、K. Milewska 等 5 位作者2016-03-31Liquid Crystals

New orthoconic antiferroelectric liquid crystalline materials were synthesised and characterised in their racemic forms and as (S) enantiomers. The materials possess oligo-methylene spacers of different lengths in semi-fluorinated achiral chains and lateral substitution by fluorine at two different positions of the mo…

Liquid Crystal Research AdvancementsAnalytical Chemistry and ChromatographyMolecular spectroscopy and chirality

Stress relaxation following uniaxial extension of polystyrene melt and oligomer dilutions

Qian Huang、Henrik Koblitz Rasmussen2016-03-31Journal of Rheology

The filament stretching rheometer has been used to measure the stress relaxation following the startup of uniaxial extensional flow, on a narrow molar mass distribution (NMMD) polystyrene melt and styrene oligomer dilutions thereof. All samples used here were characterized in molecular weight, mechanical spectroscopy,…

Polymer crystallization and propertiesEpoxy Resin Curing ProcessesRheology and Fluid Dynamics Studies

Mathematical constraints on the use of transmission line models to investigate the preliminary breakdown stage of lightning flashes

Caitano L. da Silva、Ryan A. Merrill、Victor P. Pasko2016-03-31Radio Science

Abstract The initial stage of in‐cloud lightning development is characterized by a series of initial breakdown pulses (IBPs), observed as abrupt electric field changes at a remote sensor. Recent studies have attributed this process to the stepwise elongation of a negative lightning leader channel and used transmission…

High voltage insulation and dielectric phenomenaLightning and Electromagnetic PhenomenaElectrical Fault Detection and Protection

Rationally designed siRNAs without miRNA-like off-target repression

Heeyoung Seok、Eun-Sook Jang、Sung Wook2016-03-31BMB Reports

Small interfering RNAs (siRNAs) have been developed to intentionally repress a specific gene expression by directing RNA-induced silencing complex (RISC), mimicking the endogenous gene silencer, microRNAs (miRNAs). Although siRNA is designed to be perfectly complementary to an intended target mRNA, it also suppresses…

Advanced biosensing and bioanalysis techniquesRNA Interference and Gene DeliveryMXene and MAX Phase Materials

Removal of persistent tartrazine dye by photodegradation on TiO2 nanoparticles enhanced by immobilized calcinated sewage sludge under visible light

Tarek S. Jamil、S. E. A. Sharaf El-Deen2016-03-31Separation Science and Technology

TiO2 nanoparticles on calcined sewage sludge (TiO2/sludge) were prepared by the sol-gel method and were fully characterized. The photocatalytic efficiency of TiO2/sludge was evaluated by tartrazine dye degradation by halide lamp. TiO2/sludge exhibited a high photocatalytic oxidation efficiency (more than 90%) of tartr…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesAdvanced Nanomaterials in Catalysis

Direct Fabrication of Monodisperse Silica Nanorings from Hollow Spheres – A Template for Core–Shell Nanorings

Kuo Zhong、Jiaqi Li、Liwang Liu 等 10 位作者2016-03-31ACS Applied Materials & Interfaces

We report a new type of nanosphere colloidal lithography to directly fabricate monodisperse silica (SiO2) nanorings by means of reactive ion etching of hollow SiO2 spheres. Detailed TEM, SEM, and AFM structural analysis is complemented by a model describing the geometrical transition from hollow sphere to ring during…

Photonic Crystals and ApplicationsMesoporous Materials and CatalysisDiatoms and Algae Research

Synthesis of Pyridine– and Pyrazine–BF3 Complexes and Their Characterization in Solution and Solid State

Étienne Chénard、Andre Sutrisno、Lingyang Zhu 等 11 位作者2016-03-31The Journal of Physical Chemistry C

Following the discovery of the redox-active 1,4-bis-BF 3 -quinoxaline complex, we undertook a structure–activity study with the objective to understand the active nature of the quinoxaline complex. Through systematic synthesis and characterization, we have compared complexes prepared from pyridine and pyrazine derivat…

Advancements in Battery MaterialsMagnetism in coordination complexesAdvanced NMR Techniques and Applications

Trends in Computational Materials Science Based on Density Functional Theory

June Gunn Lee、June Gunn Lee2016-03-31Journal of the Korean Ceramic Society

This review deals with computational treatments of subatomic levels of matter based on density functional theory (DFT), and tries to identify several current trends, which are largely consequences of the ever-increasing power of computers, which has substantially extended the performance of conventional DFT beyond its…

Advanced Chemical Physics StudiesBoron and Carbon Nanomaterials ResearchMachine Learning in Materials Science

Kinetics and Mechanism of Se-Catalyzed Disproportionation of Bisulfite: The Critical Role of Selenosulfate

Bentao Yang、Liyuan Chai、Fangfang Zhu 等 6 位作者2016-03-31Industrial & Engineering Chemistry Research

Se-catalyzed disproportionation of bisulfite (HSO 3 – ) is a facile and potential wet flue gas desulfurization. In this paper, the kinetics and mechanism of Se-catalyzed disproportionation of HSO 3 – were systematically investigated. The Se-catalyzed disproportionation of HSO 3 – is found to be pseudo-first-order with…

Adsorption and biosorption for pollutant removalCatalytic Processes in Materials ScienceIndustrial Gas Emission Control

Restraining Sodium Volatilization in the Ferric Bauxite Direct Reduction System

Wentao Hu、Huajun Wang、Xinwei Liu 等 5 位作者2016-03-31Minerals

Direct reduction is an emerging utilization technology of ferric bauxite. However, it requires much more sodium carbonate than ordinary bauxite does. The volatilization is one of the most significant parts of sodium carbonate consumption, as reported in previous studies. Based on the new direct reduction method for ut…

Recycling and utilization of industrial and municipal waste in materials productionBauxite Residue and UtilizationMagnesium Oxide Properties and Applications

One-pot ionic liquid-assisted strategy for GO/BiOI hybrids with superior visible-driven photocatalysis and mechanism research

Wei Tong、Ling Zhu、Jiexiang Xia 等 8 位作者2016-03-31Materials Technology

A series of GO/BiOI hybrids have been prepared via a facile-assisted solvothermal process in the presence of reactable ionic liquid 1-butyl-3-methylimidazolium iodine. The as-prepared samples were characterised by X-ray diffraction, energy-dispersive X-ray spectroscopy, transmission electron microscopy, Fourier transf…

Advanced Photocatalysis TechniquesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Modifications of surface properties of beta Ti by laser gas diffusion nitriding

Chi‐Ho Ng、Chi-Wai Chan、H.C. Man 等 5 位作者2016-03-31Journal of Laser Applications

β-type Ti-alloy is a promising biomedical implant material as it has a low Young's modulus and is also known to have inferior surface hardness. Various surface treatments can be applied to enhance the surface hardness. Physical vapor deposition and chemical vapor deposition are two examples of this but these technique…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchHigh Entropy Alloys Studies

A Method to Separate Radiations From a Dual-Frequency Operation Gyrotron

Diwei Liu、Wei Wang、Tao Song 等 6 位作者2016-03-31IEEE Transactions on Electron Devices

A method was proposed to efficiently separate radiations from a dual-frequency operation gyrotron. The operation modes TE02and TE04are converted into linearly polarized Gaussian beams, and the theoretical predictions of the power conversion efficiency are 85% for TE02mode and 90% for TE04mode, respectively. The linear…

Metamaterials and Metasurfaces ApplicationsMicrowave Engineering and WaveguidesGyrotron and Vacuum Electronics Research

Preparation of Pd–B/palygorskite amorphous catalyst for the selective hydrogenation of o ‐chloronitrobenzene to o ‐chloroaniline

Mei Wu、Ying Xu、Jinlong Jang 等 7 位作者2016-03-31Micro & Nano Letters

Pd–B amorphous alloy was successfully supported on the surface of natural nanoclay palygorskite (PAL) via a simple chemical reduction method. Compared with the conventional supported Pd catalyst, the Pd–B/PAL amorphous catalyst possessed the ultra‐high selectivity (100%) to o ‐chloroaniline ( o ‐CAN) in the hydrogenat…

Catalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionNanomaterials for catalytic reactions