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Compatibility of Diborane and Borane with FOX-7 - A DFT Treatment

Lemi Türker2020-08-16Earthline Journal of Chemical Sciences

FOX-7 as an energetic material is getting more and more popular as the constituents of various ammunitions. On the other hand, boronic species attract attention as fuels in rocket engineering. The present study, within the constraints of density functional theory, considers some composites of them, that is FOX-7+B2H6,…

Energetic Materials and CombustionBoron and Carbon Nanomaterials ResearchThermal and Kinetic Analysis

Formation of Carbazole in ɤ- irradiated Aniline / Chlorobenzene mixtures

Kh. Sife-eldeen2020-08-16Egyptian Journal of Chemistry

In this study, Gas chromatographic/mass spectrometric study indicated that carbazole (CARB) is formed in oxygen free ɤ- irradiation of aniline / chlorobenzene mixtures. It seems that ɤ-radiation induces the formation of CARB in these mixtures via intramolecular dehydrocyclization of diphenylamine (DPA). The yield of C…

Luminescence Properties of Advanced MaterialsRadical Photochemical ReactionsPhotochemistry and Electron Transfer Studies

Preparation of Metal Complexes of 4,5-Dichlorphthalic Acid as Nanoscale and Electronic Properties

Mehmet Salih Keskin、Ümit Yıldıko、Derya Güngördü Solğun 等 4 位作者2020-08-16Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi

Here phthalic acid metal complexes with acid function were synthesized. Fourie transform infrared spectroscopy (FT- IR), X-ray diffraction analysis (XRD), Scanning electron microscopy-Energy Dispersive Spectrometry (SEM+EDS) devices were used for structure analysis. The structural parameters of the copper and zinc com…

Metal complexes synthesis and propertiesNonlinear Optical Materials ResearchInorganic and Organometallic Chemistry

On the Footprints of the Ring Normal Modes in Heterocycles: Pyridine and Derivatives

Enrico Benassi、Haiyan Fan2020-08-16OpenAlex

In the present study, the vibrational frequencies for pyridine, quinoline, 1,8-naphthyridine and 1,10-phenathroline and their corresponding fully fluorinated derivatives were investigated through quantum chemical calculations. In parallel, the electronic structure and the topology of these molecules were analysed in d…

Nonlinear Optical Materials ResearchStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and Reactions of Organic Compounds

Dynamic Tilting of Ferroelectric Domain Walls via Optically Induced Electronic Screening

Youngjun Ahn、Arnoud S. Everhardt、Hyeon Jun Lee 等 11 位作者2020-08-16arXiv (Cornell University)

Optical excitation perturbs the balance of phenomena selecting the tilt orientation of domain walls within ferroelectric thin films. The high carrier density induced in a low-strain BaTiO3 thin film by an above-bandgap ultrafast optical pulse changes the tilt angle that 90° a/c domain walls form with respect to the su…

Ferroelectric and Piezoelectric MaterialsGlass properties and applicationsAcoustic Wave Resonator Technologies

De Novo Designed Peptide and Protein Hairpins Self-assemble into Sheets and Nanoparticles

Johanna M. Galloway、Harriet E. V. Bray、Deborah K. Shoemark 等 14 位作者2020-08-16bioRxiv (Cold Spring Harbor Laboratory)

Abstract The design and assembly of peptide based materials has advanced considerably, leading to a variety of fibrous, sheet and nanoparticle structures. A remaining challenge is to account for and control different possible supramolecular outcomes accessible to the same or similar peptide building blocks. Here we pr…

Advanced biosensing and bioanalysis techniquesChemical Synthesis and AnalysisSupramolecular Self-Assembly in Materials

Analysis the rate of metal corrosion using dip-coating electrolyte solutions

Miranda Miranda、Rahmawati Rahmawati2020-08-16Gravity Jurnal Ilmiah Penelitian dan Pembelajaran Fisika

This study aims to determine how to test the rate of metal corrosion using dip-coating electrolyte solutions. The electrolyte solutions used are vinegar, lime juice, saltwater, and rainwater—this research conducted by the method of losing weight by dipping the electrolyte solution. The sample immersed for 27 days. The…

Corrosion Behavior and InhibitionMaterial Selection and PropertiesGeotechnical and construction materials studies

Susceptibility‐weighted MRI after intravenous iron supplementation

Christopher G. Favilla、Jeffrey B. Ware、Seyed Ali Nabavizadeh2020-08-16Neurology and Clinical Neuroscience

A 50-year-old female with a history of hypertension, migraines, and anemia presented in the emergency department for the evaluation of transient blurred vision and vertigo. Thorough neurologic and ophthalmologic examinations were normal. MRI (Siemens Magnetom Avanto 1.5 Tesla) of the brain showed no acute infarction b…

Nanoparticle-Based Drug DeliveryAdvanced MRI Techniques and ApplicationsMRI in cancer diagnosis

Contact Map based Crystal Structure Prediction using Global Optimization

Jianjun Hu、Wenhui Yang、Rongzhi Dong 等 6 位作者2020-08-16arXiv (Cornell University)

Crystal structure prediction is now playing an increasingly important role in discovery of new materials. Global optimization methods such as genetic algorithms (GA) and particle swarm optimization (PSO) have been combined with first principle free energy calculations to predict crystal structures given composition or…

Protein Structure and DynamicsComputational Drug Discovery MethodsMachine Learning in Materials Science

Enhancing SNR and generating contrast for cryo-EM images with convolutional neural networks

Eugene Palovcak、Daniel Asarnow、Melody G. Campbell 等 5 位作者2020-08-16bioRxiv (Cold Spring Harbor Laboratory)

Abstract In cryogenic electron microscopy (cryo-EM) of radiation-sensitive biological samples, both the signal-to-noise ratio (SNR) and the contrast of images are critically important in the image processing pipeline. Classic methods improve low-frequency image contrast experimentally, by imaging with high defocus, or…

Advanced Electron Microscopy Techniques and ApplicationsAdvanced X-ray Imaging TechniquesElectron and X-Ray Spectroscopy Techniques

Datasets for the computational workflow of multidimensional photoemission spectroscopy

R. Patrick Xian、Yves Acremann、Steinn Ýmir Ágústsson 等 18 位作者2020-08-16Zenodo (CERN European Organization for Nuclear Research)

Recorded single-electron event data of bulk 2H-WSe2 photoemission from a commercial momentum microscope (SPECS METIS 1000).These data are used for demonstration of the computational workflow explained in the following publication. R. P. Xian, Y. Acremann, S. Y. Agustsson, M. Dendzik, K. Bühlmann, D. Curcio, D. Kutnyak…

Machine Learning in Materials ScienceScientific Computing and Data Management

Correction to “Photophysics of J‑Aggregating Porphyrin-Lipid Photosensitizers in Liposomes: Impact of Lipid Saturation”

Danielle M. Charron、Goonay Yousefalizadeh、Hilde Harb Buzzá 等 7 位作者2020-08-16Langmuir

ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to "Photophysics of J-Aggregating Porphyrin-Lipid Photosensitizers in Liposomes: Impact of Lipid Saturation"Danielle M. CharronDanielle M. CharronMore by Danielle M. Charron, Goonay YousefalizadehGoonay Yousef…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesProtein Interaction Studies and Fluorescence Analysis

A comparative study of stress responses elicited by misfolded proteins targeted by bipartite or matrix-targeting signal sequences to yeast mitochondria

Kannan Boosi Narayana Rao、Pratima Pandey、Rajasri Sarkar 等 11 位作者2020-08-16bioRxiv (Cold Spring Harbor Laboratory)

Abstract The double-membrane-bound architecture of mitochondria, essential for ATP production, sub-divides the organelle into inter-membrane space (IMS) and matrix. IMS and matrix possess contrasting oxido-reductive environments and distinct protein quality control (PQC) machineries resulting different protein folding…

Mitochondrial Function and PathologyEndoplasmic Reticulum Stress and DiseaseEnzyme Structure and Function

Spray Coated Light Emitting Electrochemical Cells on Standard Polyester Cotton Woven Textiles

Sasikumar Arumugam、Yi Li、James E. Pearce 等 7 位作者2020-08-16OpenAlex

In this article, we report the fabrication of LECs on wearable textile substrates. The standard polyester cotton woven textile substrate is smoothed by screen-printing the polyurethane layer that is then UV cured. Solution processable spray coating method is utilised to deposit all functional layers including top and…

Advanced Sensor and Energy Harvesting MaterialsOrganic Light-Emitting Diodes ResearchConducting polymers and applications

Evaluation of Bimodal Polyethylene from Chromium Oxide/Metallocene Hybrid Catalysts for High Resistance Applications

Beatriz Paredes、Jovita Moreno、A. Carrero 等 4 位作者2020-08-16Macromolecular Reaction Engineering

Abstract An interesting alternative to the industrial two‐stage cascade process for the production of bimodal polyethylene, used for high resistance applications such as pressure pipes, has been developed. The key point is a binary catalytic system with chromium and metallocene sites incorporated together on AlSBA‐15…

Organometallic Complex Synthesis and Catalysisbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Adsorption of Aniline from Aqueous System by Highly Fluorinated Polymers of Intrinsic Microporosity (PIM-2)

Bekir Satilmis2020-08-16Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi

Polymers of Intrinsic Microporosity (PIMs) are documented as suitable materials for organic adsorption applications. Intrinsic porous structure along with a solution-processability behaviour make them attractive for the adsorption of organic contaminants from water. In this research, PIM-2 powder was synthesised and t…

Adsorption and biosorption for pollutant removalMembrane Separation and Gas TransportCovalent Organic Framework Applications

Effect of preparation method on physicochemical, scavenging, and proliferative properties of gelatin from Yak skin

Hongxia Yang、Chen Qi、Yuancan Xiao 等 8 位作者2020-08-16Journal of Food Processing and Preservation

The physicochemical, scavenging, and proliferative properties of gelatin from Yak skin that was affected by an extraction and drying method were investigated. The yield of freeze-dried enzymatic hydrolyzed gelatin (FEG) was the lowest, which had a lower oil binding capacity, water-holding capacity, metal chelating act…

Meat and Animal Product QualityProtein Hydrolysis and Bioactive PeptidesCollagen: Extraction and Characterization

New in situ method for the determination of the crystallization kinetics of glass‐ceramics

Malte Sander、Philipp Jacobs、Christian Roos2020-08-16Journal of the American Ceramic Society

Abstract An in situ method for the characterization of the crystallization behavior of glass‐ceramics has been developed, which is based on an acoustic, nondestructive Young's modulus measurement technique according to ASTM E1876. The progression of the crystallization can be measured due to an increasing Young's modu…

Glass properties and applicationsMetallic Glasses and Amorphous AlloysRecycling and utilization of industrial and municipal waste in materials production

Positive Entropy Using Hecke Operators at a Single Place

Zvi Shem‐Tov2020-08-16International Mathematics Research Notices

Abstract We prove the following statement: let $X=\textrm{SL}_n({{\mathbb{Z}}})\backslash \textrm{SL}_n({{\mathbb{R}}})$ and consider the standard action of the diagonal group $A<\textrm{SL}_n({{\mathbb{R}}})$ on it. Let $\mu $ be an $A$-invariant probability measure on $X$, which is a limit $$\begin{equation*} \mu=\l…

Mathematical Dynamics and FractalsQuantum chaos and dynamical systemsQuasicrystal Structures and Properties

Effect of tip size and experimental conditions on nano-scale friction testing

A. K. Sikder2020-08-16Proceedings of the Institution of Mechanical Engineers Part J Journal of Engineering Tribology

Assessment of nano-tribological properties (friction and wear) on polymer surface helps to understand their scratch, mar and wear properties. More polymers are used now for automotive, electronics, appliances, and building and constructions industries due to aesthetics and design freedom. Owing to their lower mechanic…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchTribology and Wear Analysis