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Optical Kerr effect of liquid and supercooled water: The experimental and data analysis perspective

A. Taschin、P. Bartolini、R. Eramo 等 5 位作者2014-08-27The Journal of Chemical Physics

The time-resolved optical Kerr effect spectroscopy (OKE) is a powerful experimental tool enabling accurate investigations of the dynamic phenomena in molecular liquids. We introduced innovative experimental and fitting procedures, that enable a safe deconvolution of sample response function from the instrumental funct…

Advanced Chemical Physics StudiesMaterial Dynamics and PropertiesSpectroscopy and Quantum Chemical Studies

Phase Stabilization of ZrO 2 Polymorph by Combined Additions of Ca 2+ and PO 4 3− Ions Through an In Situ Synthetic Approach

S. Vasanthavel、S. Kannan2014-08-27Journal of the American Ceramic Society

This study has been aimed at the phase stabilization of tetragonal Zirconia ( t ‐ ZrO 2 ) by the additions of Ca 2+ and PO 4 3− through an in situ synthetic approach. A wide range of variations have been attempted in which the precursor concentrations of Ca 2+ and PO 4 3− have been maintained constant for every synthe…

Bone Tissue Engineering MaterialsFerroelectric and Piezoelectric MaterialsChemical Synthesis and Characterization

A Hybrid QM/MM Simulation Study of Intramolecular Proton Transfer in the Pyridoxal 5′-Phosphate in the Active Site of Transaminase: Influence of Active Site Interaction on Proton Transfer

Sindrila Dutta Banik、Amalendu Chandra2014-08-27The Journal of Physical Chemistry B

Pyridoxal 5'-phosphate (PLP) Schiff base, a versatile cofactor, exhibits a tautomeric equilibrium that involves an intramolecular proton transfer between the N-protonated zwitterionic ketoenamine tautomer and the O-protonated covalent enolimine tautomer. It has been postulated that for the catalytic activity, the PLP…

Protein Structure and DynamicsEnzyme Structure and FunctionElectron Spin Resonance Studies

Analytical solutions of EM fields due to a dipolar source inside an infinite casing

N. Cuevas2014-08-27Geophysics

ABSTRACT This paper studies the problem of electromagnetic fields observed outside of an infinite metallic casing due to dipolar excitations inside the pipe. Closed-form expressions are derived for the hertz vector potential driving the solution of the boundary value problem. The results indicates that the fields outs…

Geophysical and Geoelectrical MethodsMagnetic Properties and ApplicationsNon-Destructive Testing Techniques

First-Principles Mechanistic Analysis of Dimethyl Ether Electro-Oxidation on Monometallic Single-Crystal Surfaces

Jeffrey A. Herron、Peter Ferrin、Manos Mavrikakis2014-08-27The Journal of Physical Chemistry C

Dimethyl ether is an attractive alternative to petroleum fuels due to its physical properties, comparable energy density to methanol and ethanol, and minimal deleterious environmental/toxicological effects. For direct fuel cells, it has a number of advantages over other prominent fuels, including easier storage with r…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Cellular Delivery of Noncovalently-Associated Macromolecules by Cell- Penetrating Peptides

Microsugar Chang、Yue‐Wern Huang、Robert S. Aronstam 等 4 位作者2014-08-27Current Pharmaceutical Biotechnology

Cellular and nuclear delivery of biomolecules is limited by low membrane permeability. Cell-penetrating peptides (CPPs) can be covalently linked to cargos to improve cellular internalization. Our work indicates that arginine-rich CPPs are also able to interact with a variety of cargos, including DNA, RNA, proteins and…

Advanced biosensing and bioanalysis techniquesRNA Interference and Gene DeliverySilk-based biomaterials and applications

Self-expanding foam for prehospital treatment of intra-abdominal hemorrhage

Adam P. Rago、Michael Duggan、John Beagle 等 16 位作者2014-08-27The Journal of Trauma: Injury, Infection, and Critical Care

BACKGROUND: Intracavitary noncompressible hemorrhage remains a significant cause of preventable death on the battlefield and in the homeland. We previously demonstrated the hemostatic efficacy of an in situ self-expanding poly(urea)urethane foam in a severe, closed-cavity, hepatoportal exsanguination model in swine. W…

Polymer Surface Interaction StudiesTrauma, Hemostasis, Coagulopathy, ResuscitationHemostasis and retained surgical items

Efficient photoelectrochemical water splitting of nanostructured hematite on a three-dimensional nanoporous metal electrode

Chang Hong Bak、Kwanghyun Kim、Kyoungok Jung 等 5 位作者2014-08-27Journal of Materials Chemistry A

We report great enhancement in photoelectrochemical water splitting efficiency of hematite assisted by fast and easy transfer of electrons/holes via a 3D-nanoporous gold (3D-NG) electrode. 3D-nanostructured α-Fe2O3/NG electrodes were fabricated in three subsequent procedures, de-alloying Au/Ag to produce a conductive…

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

Chaperones Rescue Luciferase Folding by Separating Its Domains

Zackary N. Scholl、Weitao Yang、Piotr E. Marszałek2014-08-27Journal of Biological Chemistry

Over the last 50 years, significant progress has been made toward understanding how small single-domain proteins fold. However, very little is known about folding mechanisms of medium and large multidomain proteins that predominate the proteomes of all forms of life. Large proteins frequently fold cotranslationally an…

Protein Structure and DynamicsForce Microscopy Techniques and ApplicationsEnzyme Structure and Function

An evolutionary approach to modelling concrete degradation due to sulphuric acid attack

Amir M. Alani、Asaad Faramarzi2014-08-27Applied Soft Computing

Concrete corrosion due to sulphuric acid attack is known to be one of the main contributory factors for degradation of concrete sewer pipes. This article proposes to use a novel data mining technique, namely, evolutionary polynomial regression (EPR), to predict degradation of concrete subject to sulphuric acid attack.…

Corrosion Behavior and InhibitionInfrastructure Maintenance and MonitoringConcrete Corrosion and Durability

Charge Photogeneration Dynamics of Poly(3-hexylthiophene) Blend with Covalently-Linked Fullerene Derivative in Low Fraction

Ningjiu Zhao、Zihong Lin、Wei Zhang 等 9 位作者2014-08-27The Journal of Physical Chemistry C

Exciton and charge dynamics of poly(3-hexylthiophene) (P3HT) blended with covalently linked monomeric (MP), dimeric (BP), or trimeric (TP) fullerene derivatives are investigated by using near-infrared time-resolved absorption spectroscopy under low excitation photon fluence. A low blending ratio (10%, w/w) of the full…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications

Submicron omega-shaped plasmonic polarization rotator

Robert Andrawis、Mohamed A. Swillam、Ezzeldin A. Soliman2014-08-27Journal of Optics

In this paper, a novel compact plasmonic polarization converter is proposed. This rotator is based on conversion between even and odd modes of the coupled nanostrip plasmonic transmission line. The even and odd modes of that line have vertical and horizontal polarization, respectively. The proposed structure is capabl…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchPhotonic and Optical Devices

Harnessing the Capacity of Cell-Penetrating Peptides for Drug Delivery to the Central Nervous System

Ting Kang、Xiaoling Gao、Jun Chen2014-08-27Current Pharmaceutical Biotechnology

The existence of blood-brain barrier (BBB) represents the most formidable challenge for drug delivery to the central nervous system (CNS). Modern breakthrough in biology offers multiple choices for overcoming this barrier but yields modest outcomes for clinical application due to various problems such as safety concer…

RNA Interference and Gene DeliverySupramolecular Self-Assembly in MaterialsGraphene and Nanomaterials Applications

Developing detection efficiency standards for atom probe tomography

Ty J. Prosa、B. Geiser、D. Lawrence 等 5 位作者2014-08-27Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

Atom Probe Tomography (APT) is a near-atomic-scale analytical technique which, due to recent advances in instrumentation and sample preparation techniques, is being used on a variety of 3D applications. Total system detection efficiency is a key parameter for obtaining accurate spatial reconstruction of atomic coordin…

Fusion materials and technologiesHydrogen embrittlement and corrosion behaviors in metalsAdvanced Materials Characterization Techniques

Unidirectional surface plasmon launcher: rotating dipole mimicked by optical antennas

Zheng Xi、Yonghua Lü、Wenhai Yu 等 5 位作者2014-08-27Journal of Optics

We propose an optical antenna as a unidirectional surface plasmon polariton (SPP) mode launcher. Appropriate tuning of the transverse and longitudinal resonance of the antenna makes the scattered field pattern mimic that of the rotating dipole. An extinction ratio of 110 dB is achieved for the SPP launched via the opt…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchOrbital Angular Momentum in Optics

A Theoretical Study on Hydrogen‐Bonded Complex of Proflavine Cation and Water: The Site‐dependent Feature of Hydrogen Bond Strengthening and Weakening

Zhen Qin、Xiang Li、Minghui Zhou2014-08-27Journal of the Chinese Chemical Society

Abstract The intermolecular hydrogen‐bonds between proflavine cation (PC) and water molecules are investigated by density functional theory (DFT) and time‐dependent density functional theory (TDDFT) methods. The ground‐state geometry optimizations, electronic excitation energies and corresponding oscillation strengths…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesFree Radicals and Antioxidants

Transdermal nicotine mixed natural rubber-hydroxypropylmethylcellulose film forming systems for smoking cessation:in vitroevaluations

Wiwat Pichayakorn、Jirapornchai Suksaeree、Prapaporn Boonme 等 6 位作者2014-08-27Pharmaceutical Development and Technology

Novel film forming polymeric dispersions for transdermal nicotine delivery were prepared from deproteinized natural rubber latex (DNRL) blended with hydroxypropylmethylcellulose (HPMC) and dibutyl phthalate (DBP) or glycerin (GLY) as plasticizer. The preliminary molecular compatibility of ingredients was observed by F…

Nanocomposite Films for Food PackagingAdvancements in Transdermal Drug DeliveryAdvanced Drug Delivery Systems

Improved host material for electrophosphorescence by positional engineering of spirobifluorene–carbazole hybrids

Yuan Liu、Lin‐Song Cui、Xiaobo Shi 等 6 位作者2014-08-27Journal of Materials Chemistry C

Two novel materials, SF2BCz and SF3BCz, which combine spirobifluorene (SF) and carbazole units by meta- and para-bonding, have been designed and synthesized by a straightforward process as hosts in phosphorescent organic light-emitting diodes (PhOLEDs), and their thermal and electronic absorption and photoluminescent…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent Materials

A pH-sensitive poly(methyl methacrylate) copolymer for efficient drug and gene delivery across the cell membrane

Gregor Doerdelmann、Diana Kozlova、Matthias Epple2014-08-27Journal of Materials Chemistry B

) emulsion solvent evaporation technique. Hydrophilic drugs (siRNA for gene silencing and bovine serum albumin as model protein) and hydrophobic drugs (5,10,15,20-tetrakis(4-hydroxyphenyl)-21H,23H-porphine, THPP, a photosensitizer for photodynamic therapy) were encapsulated as model drugs. Eudragit®-E100 is a poly(met…

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

Some more space-group corrections

Lawrence M. Henling、R.E. Marsh2014-08-27Acta Crystallographica Section C Structural Chemistry

A survey of approximately 100,000 entries in recent releases of the Cambridge Structural Database (CSD) has uncovered 156 crystal structures that were apparently described in inappropriate space groups. We have revised these space groups and prepared CIFs containing the new coordinates and brief comments describing th…

Crystal Structures and PropertiesX-ray Diffraction in CrystallographyInorganic Fluorides and Related Compounds