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Thickening of T1 Precipitates during Aging of a High Purity Al–4Cu–1Li–0.25Mn Alloy

Ines Häusler、Reza Darvishi Kamachali、Walid Hetaba 等 4 位作者2018-12-21Materials

The age hardening response of a high-purity Al⁻4Cu⁻1Li⁻0.25Mn alloy (wt. %) during isothermal aging without and with an applied external load was investigated. Plate shaped nanometer size T₁ (Al₂CuLi) and θ' (Al₂Cu) hardening phases were formed. The precipitates were analyzed with respect to the development of their s…

Microstructure and mechanical propertiesAluminum Alloy Microstructure PropertiesAluminum Alloys Composites Properties

Towards compartmentalized photocatalysis: multihaem proteins as transmembrane molecular electron conduits

Anna Stikane、Ee Taek Hwang、Emma V. Ainsworth 等 8 位作者2018-12-21Faraday Discussions

The high quantum efficiency of natural photosynthesis has inspired chemists for solar fuel synthesis. In photosynthesis, charge recombination in photosystems is minimized by efficient charge separation across the thylakoid membrane. Building on our previous bioelectrochemical studies of electron transfer between a lig…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesPhotoreceptor and optogenetics research

Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations

Shuangyan Zhou、Yongchang Zhu、Xiaojun Yao 等 4 位作者2018-12-21Journal of Chemical Information and Modeling

The specific properties of carbon nanoparticles (NPs) have attracted great attention in applications in biotechnology and biomedicine, e.g., in the field of amyloidosis. To date, it is still indefinable whether carbon NPs would promote or inhibit the fibril formation of amyloid proteins. Here, to uncover the effects o…

Trace Elements in HealthPrion Diseases and Protein MisfoldingSupramolecular Self-Assembly in Materials

Thermodynamic and Structural Studies on the Ln(III)/An(III) Malate Complexation

Franziska Taube、Björn Drobot、André Roßberg 等 9 位作者2018-12-21Inorganic Chemistry

The complexation of the trivalent lanthanides Nd(III) and Eu(III) and of the actinide Am(III) with malate was studied using a multi-method approach. The combination of structural and thermodynamic studies was required for the interpretation of the stoichiometry and thermodynamic data (log β 0, Δ r H 0 m, Δ r S 0 m, Δ…

Radioactive element chemistry and processingLanthanide and Transition Metal ComplexesChemical Thermodynamics and Molecular Structure

Cubic hastatic order in the two-channel Kondo-Heisenberg model

Guanghua Zhang、John S. Van Dyke、Rebecca Flint2018-12-21Physical review. B./Physical review. B

Materials with non-Kramers doublet ground states naturally manifest the two-channel Kondo effect, as the valence fluctuations are from a non-Kramers doublet ground state to an excited Kramers doublet. Here, the development of a heavy Fermi liquid requires a channel-symmetry-breaking spinorial hybridization that breaks…

Physics of Superconductivity and MagnetismRare-earth and actinide compoundsIron-based superconductors research

Computational Understanding of the Selectivities in Metalloenzymes

Wenjie Wei、Hui-Xia Qian、Wenjuan Wang 等 4 位作者2018-12-21Frontiers in Chemistry

Metalloenzymes catalyze many different types of biological reactions with high efficiency and remarkable selectivity. The quantum chemical cluster approach and the combined quantum mechanics/molecular mechanics methods have proven very successful in the elucidation of the reaction mechanism and rationalization of sele…

Enzyme Structure and FunctionAsymmetric Hydrogenation and CatalysisMetal-Catalyzed Oxygenation Mechanisms

Effect of Extraction Solvents on Rheological Properties of Recovered Asphalt Binders

Yazeed AbuHassan、Maishah Alin、Tanvir Iqbal 等 5 位作者2018-12-21Journal of Transportation Engineering Part B Pavements

This study examined the effect of three extraction solvents [trichloroethylene (TCE), toluene, and nPB] on the rheological properties of recovered asphalt binders when used with four binders of different performance grades (PG 58-28, PG 64-22, PG 64-28, and PG 70-22) that have been subjected to various levels of aging…

Asphalt Pavement Performance EvaluationInfrastructure Maintenance and MonitoringMaterial Properties and Failure Mechanisms

Real‐time ALT and LDH activities determined in viable precision‐cut mouse liver slices using hyperpolarized [1‐13C]pyruvate—Implications for studies on biopsied liver tissues

Naama Lev‐Cohain、Gal Sapir、Talia Harris 等 10 位作者2018-12-21NMR in Biomedicine

Precision‐cut liver slices (PCLS) are widely used in liver research as they provide a liver model with all liver cell types in their natural architecture. The purpose of this study was to demonstrate the use of PCLS for hyperpolarized metabolic investigation in a mouse model, for potential future application in liver…

Enzyme Structure and FunctionAdvanced NMR Techniques and ApplicationsSolid-state spectroscopy and crystallography

More than Expected: Overall Initiation Efficiencies of Mono-, Bis-, and Tetraacylgermane Radical Initiators

Philipp Jöckle、Philipp W. Kamm、Iris Lamparth 等 6 位作者2018-12-21Macromolecules

We introduce a quantitative comparison of the overall initiation efficiency for a library of eight mono-, bis-, and tetraacylgermane visible light photoinitiators with p- methoxy and fluorine substitution patterns. Specifically, cocktail experiments were carried out, fusing pulsed laser polymerization (PLP) of methyl…

Radical Photochemical ReactionsPhotochromic and Fluorescence ChemistryMachine Learning in Materials Science

Drying and percolation in correlated porous media

Soumyajyoti Biswas、Paolo Fantinel、Oshri Borgman 等 5 位作者2018-12-21Physical Review Fluids

We show that local structure, in an otherwise random medium, can change the nature of invasion percolation phenomena, including multiphase fluid flows. By combining microfluidic drying experiments with simple models we explain how local correlations in pore sizes lead to more extreme dynamics.

Material Dynamics and PropertiesTheoretical and Computational PhysicsNanomaterials and Printing Technologies

Remarkable Oxygen‐Evolution Activity of a Perovskite Oxide from the Ca2−xSrxFe2O6−δ Series

Ram Krishna Hona、Farshid Ramezanipour2018-12-21Angewandte Chemie

Abstract Herein in we report the unprecedented catalytic activity of an iron‐based oxygen‐deficient perovskite for the oxygen‐evolution reaction (OER). The systematic trends in OER activity as a function of composition, defect‐order, and electrical conductivity have been demonstrated, leading to a methodical increase…

Electrocatalysts for Energy ConversionAdvancements in Solid Oxide Fuel CellsAdvanced battery technologies research

Predictive density gradient theory based on nonlocal density functional theory

Philipp Rehner、J. Gross2018-12-21Physical review. E

This paper presents a computationally efficient approach for calculating interfacial properties of liquids. Calculations of surface tension for a variety of pure components and binary mixtures agree well with experiment and with density functional theory calculations. The significant gain in computational speed should…

Phase Equilibria and ThermodynamicsCrystallization and Solubility Studiesnanoparticles nucleation surface interactions

A DFT study of direct furfural conversion to 2-methylfuran on the Ru/Co 3 O 4 surface

He Dong、Ying Zheng、P. Hu2018-12-21Physical Chemistry Chemical Physics

species. This reaction pathway is both kinetically and thermodynamically facile. The by-product furfuryl alcohol could be attributed to the outstanding hydrogenation ability of the ruthenium metal. Comparing to the group X metals and ruthenium, the decarbonylation pathway to produce furan and carbon monoxide is inhibi…

Mesoporous Materials and CatalysisCatalysis for Biomass ConversionAmmonia Synthesis and Nitrogen Reduction

Efficient Photoelectrochemical Water Splitting Reaction using Electrodeposited Co3Se4 Catalyst

Yelyn Sim、Jude John、Subramani Surendran 等 5 位作者2018-12-21Applied Sciences

Photoelectrochemical water splitting is a promising field for sustainable energy production using hydrogen. Development of efficient catalysts is essential for resourceful hydrogen production. The most efficient catalysts reported to date have been extremely precious rare-earth metals. One of the biggest hurdles in th…

Electrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applications

Antireflective structures on highly flexible and large area elastomer membrane for tunable liquid-filled endoscopic lens

Sang‐In Bae、Youngseop Lee、Yeong‐Hyeon Seo 等 4 位作者2018-12-21Nanoscale

The antireflection coating on an optical lens plays a key role not only in minimizing specular reflection but also in maximizing light transmission. Antireflective structures (ARS) found in the eyes of moths have the same role as conventional antireflection coating, and they also provide many intriguing features such…

Advanced optical system designOptical Coatings and GratingsElectrowetting and Microfluidic Technologies

On the molecular origin of the sensitivity to impact of cyclic nitramines

Marco Aurélio Souza Oliveira、Itamar Borges2018-12-21International Journal of Quantum Chemistry

Abstract Nitramine explosives can combine relative insensitivity to initiation and great energy content. In this work, based on a previous approach developed for nitroaromatic explosives, we propose four mathematical models to correlate impact sensitivity, given by the h50 value, to molecular charge properties. Fourte…

Crystallography and molecular interactionsEnergetic Materials and CombustionThermal and Kinetic Analysis

A zeolite supramolecular framework with LTA topology based on a tetrahedral metal–organic cage

Haixia Zhang、Xiaodong Yan、Yuxin Chen 等 9 位作者2018-12-21Chemical Communications

An unprecedented zeolite supramolecular framework featuring truncated cuboctahedral and truncated octahedral cavities was self-assembled from tetrahedral metal-organic cationic cages and tetrahedral anions. This crystalline porous material could trap iodine and organic dye molecules, and its solid state spin-crossover…

Metal-Organic Frameworks: Synthesis and ApplicationsSupramolecular Chemistry and ComplexesMagnetism in coordination complexes

New Cell-Penetrating Peptide (KRP) with Multiple Physicochemical Properties Endows Doxorubicin with Tumor Targeting and Improves Its Therapeutic Index

Mei Yu、Xiaolong Li、Xiaofeng Huang 等 6 位作者2018-12-21ACS Applied Materials & Interfaces

Cell-penetrating peptides (CPPs) are considered as promising drug carriers by virtue of their potent cell-penetrating capacity. However, lack of targetability still represents a bottleneck for their systemic administration. Here, we synthesized a lysine-rich CPP named KRP and developed a tumor-targeted drug delivery s…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesRNA Interference and Gene Delivery

The Role of Graphene‐Based Derivative as Interfacial Layer in Graphene/n‐Si Schottky Barrier Solar Cells

Giuliana Faggio、Giuliana Faggio、L. Lancellotti 等 10 位作者2018-12-21physica status solidi (a)

Schottky‐barrier solar cells (SBSCs) represent low‐cost candidates for photovoltaics applications. The engineering of the interface between absorber and front electrode is crucial for reducing the dark current, blocking the majority carriers injected into the electrode, and reducing surface recombination. The presence…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and interfaces

Unexpected Behavior of the InSb Alloy in Mg-Ion Batteries: Unlocking the Reversibility of Sb

Lucie Blondeau、Eddy Foy、H. Khodja 等 4 位作者2018-12-21The Journal of Physical Chemistry C

Electrochemical behavior and performance of negative electrodes in metal batteries can be modified and improved by combining different elements. Herein, a beneficial coupling of In and Sb in the alloying reaction with Mg was considered through the preparation of the InSb alloy by mechanochemical synthesis. Despite a s…

Advancements in Battery MaterialsAdvanced Battery Materials and TechnologiesMXene and MAX Phase Materials