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Critical phenomena in quasi-two-dimensional vibrated granular systems

Marcelo Guzmán、Rodrigo Soto2018-01-16Physical review. E

The critical phenomena associated to the liquid-to-solid transition of quasi-two-dimensional vibrated granular systems is studied using molecular dynamics simulations of the inelastic hard sphere model. The critical properties are associated to the fourfold bond-orientational order parameter χ_{4}, which measures the…

Material Dynamics and PropertiesTheoretical and Computational PhysicsGranular flow and fluidized beds

Inhibition of the proteasome activity by graphene oxide contributes to its cytotoxicity

Xiaochuan Ma、Sangyun Lee、Xingshu Fei 等 9 位作者2018-01-16Nanotoxicology

Due to its hydrophobicity and other unique physicochemical properties, graphene oxide (GO) has been extensively utilized in various biological applications. However, introducing nanomaterials into the biological environment may raise serious risk in terms of nanotoxicity, leading to some unintended changes to the stru…

Nanoparticle-Based Drug DeliveryCarbon and Quantum Dots ApplicationsGraphene and Nanomaterials Applications

Identifying the Decomposition of Diethyl Carbonate in Binary Electrolyte Solutions in Contact with Silicon Anodes - A Sum Frequency Generation Vibrational Spectroscopy Study

Yonatan Horowitz、Hui‐Ling Han、Gábor A. Somorjai2018-01-16Industrial & Engineering Chemistry Research

The key factor in the use of lithium ion batteries is the formation of an electrically insulating solid layer that allows lithium ion transport but stops further electrolyte redox reactions on the electrode surface, therefore termed the solid electrolyte interphase (SEI). We have studied the preceding stages to the SE…

Advancements in Battery MaterialsAdvanced Battery Materials and TechnologiesSolid-state spectroscopy and crystallography

A Hexanuclear Cadmium Metal–Organic Framework Exhibiting Dual Mechanisms to Trigger a Fluorescence‐Quenching Response toward Iron(III) Ions

Longsheng Li、Xi Wang、Yanyuan Jia 等 6 位作者2018-01-16European Journal of Inorganic Chemistry

A hexanuclear CdII metal–organic framework (1) based on 4‐(1H‐pyrazole‐4‐carboxamido)benzoic acid (H2L) and featuring a three‐dimensional microporous framework was synthesized. Notably, 1 shows a unique fluorescence‐quenching response toward Fe3+ ions with high selectivity and sensitivity (Stern–Volmer constant KSV =…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

New Stretching Method for Aligning Gels: Its Application to the Measurement Residual Chemical Shift Anisotropies (RCSAs) without the Need for Isotropic Shift Correction

Erich Hellemann、Roberto R. Gil2018-01-16Chemistry - A European Journal

Abstract An existing gel stretching device is modified, permitting the use of organic solvents for the study of small molecules. Different from the original device, gels are stretched into 4 mm open‐ended NMR tubes and then inserted into regular 5 mm NMR tubes. No open‐ended tubes are inserted in the NMR probe avoidin…

Liquid Crystal Research AdvancementsAnalytical Chemistry and ChromatographyMolecular spectroscopy and chirality

DNA Damage and Apoptosis Induction in Cancer Cells by Chemically Engineered Thiolated Riboflavin Gold Nanoassembly

Abhishek Sau、Sulagna Sanyal、Kallol Bera 等 11 位作者2018-01-16ACS Applied Materials & Interfaces

Herein we have engineered a smart nuclear targeting thiol-modified riboflavin-gold nano assembly, RfS@AuNPs, which accumulates selectively in the nucleus without any nuclear-targeting peptides (NLS/RGD) and shows photophysically in vitro DNA intercalation. A theoretical model using Molecular Dynamics has been develope…

Advanced biosensing and bioanalysis techniquesNanocluster Synthesis and ApplicationsAdvanced Nanomaterials in Catalysis

Stabilization of the Pentazolate Anion in a Zeolitic Architecture with Na20N60 and Na24N60 Nanocages

Wenquan Zhang、Kangcai Wang、Juecheng Li 等 9 位作者2018-01-16Angewandte Chemie

Abstract The experimental detection and synthesis of pentazole (HN5) and its anion (cyclo‐N5−) have been actively pursued for the past hundred years. The synthesis of an aesthetic three‐dimensional metal–pentazolate framework (denoted as MPF‐1) is presented. It consists of sodium ions and cyclo‐N5− anions in which the…

Metal-Organic Frameworks: Synthesis and ApplicationsZeolite Catalysis and SynthesisCovalent Organic Framework Applications

Unraveling the Complex Hydration Behavior of Ionomers under Thin Film Confinement

Shudipto Konika Dishari、Christopher A. Rumble、Mark Maroncelli 等 5 位作者2018-01-16The Journal of Physical Chemistry C

The mechanical and transport properties of submicron thick ionomer films are crucial in the study and understanding of the ionomer–catalyst interfaces in the porous electrodes of energy conversion and storage devices, such as fuel cells and batteries. Interestingly, ionomers in thin films behave differently from bulk…

Advanced Sensor and Energy Harvesting MaterialsFuel Cells and Related MaterialsConducting polymers and applications

Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 2. Rational Bioavailability Design by Global Sensitivity Analysis To Identify Properties Affecting Bioavailability

Pankaj Daga、Michael B. Bolger、Ian S. Haworth 等 5 位作者2018-01-16Molecular Pharmaceutics

When medicinal chemists need to improve oral bioavailability (%F) during lead optimization, they systematically modify compound properties mainly based on their own experience and general rules of thumb. However, at least a dozen properties can influence %F, and the difficulty of multiparameter optimization for such c…

Computational Drug Discovery MethodsAnalytical Chemistry and ChromatographyCrystallization and Solubility Studies

Synthesis, Radiolabelling and In Vitro Imaging of Multifunctional Nanoceramics

Marina Lledos、Vincenzo Mirabello、Sophia Sarpaki 等 14 位作者2018-01-16ChemNanoMat

Abstract Molecular imaging has become a powerful technique in preclinical and clinical research aiming towards the diagnosis of many diseases. In this work, we address the synthetic challenges in achieving lab‐scale, batch‐to‐batch reproducible copper‐64‐ and gallium‐68‐radiolabelled metal nanoparticles (MNPs) for cel…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesNanoplatforms for cancer theranostics

Improvement of Numerical Modelling Considering Plane Strain Material Characterization with an Elliptic Hydraulic Bulge Test

Matthias Lenzen、Marion Merklein2018-01-16Journal of Manufacturing and Materials Processing

A precise characterization of material behavior is necessary to identify yield criteria or hardening laws for an accurate numerical design of sheet metal forming processes. Current models like Yld2000-2d or Hill’48 do not consider the plane strain state, though this condition is primary cause of failure in deep drawin…

Metal Forming Simulation TechniquesMetallurgy and Material FormingHigh-Velocity Impact and Material Behavior

Effects of Rare Earth Elements and Nitrogen Co‐Doped on the Photocatalytic Performance of TiO2

Ruiyu Bao、Yanmin Yu、Huiying Chen 等 6 位作者2018-01-16Crystal Research and Technology

Abstract Titanium dioxide (TiO2), which is codoped with nine different rare earth mental ions (RE3+ = lanthanum (La3+), cerium (Ce3+), praseodymium (Pr3+), neodymium (Nd3+), samarium (Sm3+), gadolinium (Gd3+), erbium (Er3+), ytterbium (Yb3+), lutetium (Lu3+)) and nitrogen (N), are synthesized by non‐hydrolytic sol‐gel…

TiO2 Photocatalysis and Solar CellsAdvanced Photocatalysis TechniquesCatalytic Processes in Materials Science

Thermodynamically complete equation of state of MgO from true radiative shock temperature measurements on samples preheated to 1850 K

O. V. Fat’yanov、Paul D. Asimow、Thomas J. Ahrens2018-01-16Physical review. B./Physical review. B

Plate impact experiments in the 100--250 GPa pressure range were done on a $\ensuremath{\langle}100\ensuremath{\rangle}$ single-crystal MgO preheated before compression to 1850 K. Hot Mo(driver)-MgO targets were impacted with Mo or Ta flyers launched by the Caltech two-stage light-gas gun up to 7.5 km/s. Radiative tem…

High-pressure geophysics and materialsDiamond and Carbon-based Materials ResearchEnergetic Materials and Combustion

Quantum multicriticality in disordered Weyl semimetals

Xunlong Luo、Baolong Xu、Tomi Ohtsuki 等 4 位作者2018-01-16Physical review. B./Physical review. B

In the electronic band structure of materials, two-band touching points with linear dispersion always appear in pairs in momentum space. When the pair annihilates, the system undergoes a quantum phase transition from a Weyl semimetal (WSM) to a band insulator (BI), which is described by a new critical theory. This pap…

Graphene research and applicationsTopological Materials and PhenomenaQuantum many-body systems

Co-Solvent Effect in the Processing of the Perovskite:Fullerene Blend Films for Electron Transport Layer-Free Solar Cells

Jorge Pascual、Ivet Kosta、E. Palacios‐Lidón 等 9 位作者2018-01-16The Journal of Physical Chemistry C

An understanding of the improvements achieved in the use of cosolvents for methylammonium lead triiodide (MAPbI 3 ):C 70 blend films (MAPbI 3:C 70 ) processing is presented. A comparative study using aromatic (i.e., o -xylene and o -dichlorobenzene) and aliphatic (i.e., methylcyclohexane and chlorocyclohexane) cosolve…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Control of Protein Activity and Gene Expression by Cyclofen‐OH Uncaging

Weiting Zhang、Fatima Hamouri、Zhiping Feng 等 11 位作者2018-01-16ChemBioChem

The use of light to control the expression of genes and the activity of proteins is a rapidly expanding field. Whereas many of these approaches use fusion between a light-activable protein and the protein of interest to control the activity of the latter, it is also possible to control the activity of a protein by unc…

Photochromic and Fluorescence ChemistryPhotoreceptor and optogenetics researchbioluminescence and chemiluminescence research

Electrospun ZnO/SiO 2 hybrid nanofibers for flexible pressure sensor

Hong‐Di Zhang、Yanjie Liu、Jun Zhang 等 9 位作者2018-01-16Journal of Physics D Applied Physics

Abstract The flexible ZnO/SiO 2 hybrid nanofiber membrane was prepared via electrospinning followed by high-temperature annealing at 600 °C in the air. The hybrid membrane was researched to prepare a flexible pressure sensor, and the experimental results suggest that the flexible pressure sensor has excellent flexibil…

ZnO doping and propertiesAdvanced Sensor and Energy Harvesting MaterialsGas Sensing Nanomaterials and Sensors

Fabrication of Direct Z‐scheme α‐Fe 2 O 3 /FeVO 4 Nanobelts with Enhanced Photoelectrochemical Performance

Qinyu Wang、Zhendong Liu、Qifang Lu 等 5 位作者2018-01-16ChemistrySelect

Abstract A direct Z‐scheme type α‐Fe 2 O 3 /FeVO 4 heterostructured photocatalyst with novel nanobelt structure just like the leaves of bryophyllum pinnatum has been successfully synthesized for the first time via integrating a facile electrospinning with annealing procedure. The as‐prepared products are characterized…

Advanced Photocatalysis TechniquesIron oxide chemistry and applicationsCopper-based nanomaterials and applications

The successful incorporation of Ag into single grain, Y–Ba–Cu–O bulk superconductors

J V J Congreve、Yunhua Shi、A R Dennis 等 5 位作者2018-01-16Superconductor Science and Technology

The use of RE-Ba–Cu–O [(RE)BCO] bulk superconductors, where RE = Y, Gd, Sm, in practical applications is, at least in part, limited by their mechanical properties and brittle nature, in particular. Alloying these materials with silver, however, produces a significant improvement in strength without any detrimental imp…

Physics of Superconductivity and MagnetismZnO doping and propertiesMagnetic and transport properties of perovskites and related materials

Selective Atomic Layer Deposition Mechanism for Titanium Dioxide Films with (EtCp)Ti(NMe2)3: Ozone versus Water

Joseph P. Klesko、Rezwanur Rahman、Aaron Dangerfield 等 11 位作者2018-01-16Chemistry of Materials

The need for the conformal deposition of TiO 2 thin films in device fabrication has motivated a search for thermally robust titania precursors with noncorrosive byproducts. Alkylamido-cyclopentadienyl precursors are attractive because they are readily oxidized, yet stable, and afford environmentally mild byproducts. W…

Catalytic Processes in Materials ScienceSemiconductor materials and devicesElectronic and Structural Properties of Oxides