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https://www.readbyqxmd.com/read/28816377/controlled-growth-of-metal-organic-frameworks-on-polymer-brushes
#1
Liman Hou, Mingdong Zhou, Xiaozhe Dong, Lei Wang, Zhigang Xie, Dewen Dong, Ning Zhang
Polymer brushes are for the first time used to induce the synthesis of metal-organic frameworks (MOFs). The semi-fixed polymer chains provide a confined environment, which allows a mild growth of MOFs in-between polymer chains to give surface-attached spherical MOF nanoparticles, in contrast to the larger MOF cubics/plates formed simultaneously in solution. Polymer brushes bearing carboxylate acid functionalities are indispensible for the formation of surface bound MOFs, while no MOF nanoparticles are observed on neutral polymer brushes...
August 17, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28816179/embedded-atom-method-potential-for-modeling-hydrogen-and-hydrogen-defect-interaction-in-tungsten
#2
Li-Fang Wang, Xiaolin Shu, Guang-Hong Lu, Fei Gao
An embedded-atom method potential has been developed for modeling hydrogen in body-centered-cubic (bcc) tungsten by fitting to an extensive database of density functional theory (DFT) calculations. Comprehensive evaluations of the new potential are conducted by comparing various hydrogen properties with DFT calculations and available experimental data, as well as all the other tungsten-hydrogen potentials. The new potential accurately reproduces the point defect properties of hydrogen, the interaction among hydrogen atoms, the interplay between hydrogen and a monovacancy, and the thermal diffusion of hydrogen in tungsten...
August 17, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28814610/determining-the-behavioural-dose-response-relationship-of-marine-mammals-to-air-gun-noise-and-source-proximity
#3
Rebecca A Dunlop, Michael J Noad, Robert D McCauley, Lindsay Scott-Hayward, Eric Kniest, Robert Slade, David Paton, Douglas H Cato
The effect of various anthropogenic sources of noise (e.g. sonar, seismic surveys) on the behaviour of marine mammals is sometimes quantified as a dose-response relationship, where the probability of an animal behaviourally 'responding' (e.g. avoiding the source) increases with 'dose' (or received level of noise). To do this, however, requires a definition of a 'significant' response (avoidance), which can be difficult to quantify. There is also the potential that the animal 'avoids' not only the source of noise but also the vessel operating the source, complicating the relationship...
August 15, 2017: Journal of Experimental Biology
https://www.readbyqxmd.com/read/28814112/an-injectable-in-situ-gel-with-cubic-and-hexagonal-nanostructures-for-local-treatment-of-chronic-periodontitis
#4
Liling Mei, Yecheng Xie, Xintian Huang, Jintian Chen, Ying Huang, Bei Wang, Hui Wang, Xin Pan, Chuanbin Wu
Periodontitis is a chronic bacterial infection, and its effective treatment is dependent on the retention of antibiotics of effective concentrations at the periodontal pockets. In this study, a solution-gel based inverse lyotropic liquid crystalline (LLC) system was explored to deliver metronidazole to the periodontal pockets for local treatment of periodontitis. It was found that the metronidazole-loaded LLC precursor spontaneously transformed into gel in the presence of water in the oral cavity. The low viscosity of the precursor would allow its penetration to the rather difficult to reach infection sites, while the adhesiveness and crystalline nanostructures (inverse bicontinuous cubic Pn3m phase and inverse hexagonal phase) of the formed gel would permit its firm adhesion to the periodontal pockets...
November 2017: Drug Delivery
https://www.readbyqxmd.com/read/28813593/ptni-nanocrystals-supported-on-hollow-carbon-spheres-enhancing-the-electrocatalytic-performance-through-high-temperature-annealing-and-electrochemical-co-stripping-treatments
#5
Chunmei Zhang, Ruizhong Zhang, Xiaokun Li, Wei Chen
PtNi nanoparticles have been proved to be a type of highly efficient electrocatalyst for the oxygen reduction reaction (ORR) among the Pt-based nanomaterials. However, how to improve the surface catalytic activity and stability of polymer-stabilized Pt-based nanocrystals is still a critical issue for their application in fuel cells. In this work, a one-step solvothermal process was used to synthesize PVP-stabilized PtNi nanocubes supported on hollow carbon spheres. With optimized metal precursor ratio (Pt/Ni=1:1) and solvothermal temperature (130 oC), PtNi nanocrystals with uniform size and cubic shape can be synthesized and highly dispersed on hollow carbon spheres...
August 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28813031/pt-co-alloys-loaded-cubic-sic-electrode-with-improved-photoelectrocatalysis-property
#6
Dan Liu, Tao Yang, Junhong Chen, Kuo-Chih Chou, Xinmei Hou
A novel composite photocatalyst was synthesized by loading 5 wt % of platinum cobalt alloy on 3C-SiC nanowires and powder (Pt-Co-SiC) respectively via a simple polyol reduction method. Pt-Co-SiC were comprehensively characterized by SEM, HRTEM, XRD, PL, and XPS. The results indicated that Pt-Co nanoparticles in the size of 2-5 nm were dispersed homogeneously in the SiC nanowires and powders. The photocurrent response of the Pt-Co-SiC increased remarkably with increasing Pt content and the best performance was observed with the sample of Pt₃Co-SiC...
August 16, 2017: Materials
https://www.readbyqxmd.com/read/28812880/an-exceptionally-narrow-band-gap-%C3%A2-4-ev-silicate-predicted-in-the-cubic-perovskite-structure-basio3
#7
Hidenori Hiramatsu, Hitoshi Yusa, Ryo Igarashi, Yasuo Ohishi, Toshio Kamiya, Hideo Hosono
The electronic structures of 35 A(2+)B(4+)O3 ternary cubic perovskite oxides, including their hypothetical chemical compositions, were calculated by a hybrid functional method with the expectation that peculiar electronic structures and unique carrier transport properties suitable for semiconductor applications would be hidden in high-symmetry cubic perovskite oxides. We found unique electronic structures of Si-based oxides (A = Mg, Ca, Sr, and Ba, and B = Si). In particular, the unreported cubic BaSiO3 has a very narrow band gap (4...
August 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28812351/structural-investigation-of-cesium-lead-halide-perovskites-for-high-efficiency-quantum-dot-light-emitting-diodes
#8
Quyet Van Le, Jong Beom Kim, Soo Young Kim, Byeongdu Lee, Dong Ryeol Lee
In this study, we have intensively investigated the effect of the reaction temperature of hot-injection method on the structural properties of CsPbX3 (X: Br, I, Cl) perovskite nanocrystals (NCs) using the small- and wide-angle X-ray scattering. Furthermore, light emitting diodes (LEDs) performance as well as photoluminescence characteristics for high-efficient LEDs is compared with reaction temperature. It is confirmed that the size of the NCs decreased as the reaction temperature decreased, resulting stronger quantum confinement...
August 16, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28811541/effects-of-cations-on-the-behaviour-of-lipid-cubic-phases
#9
Christopher Brasnett, Georgia Longstaff, Laura Compton, Annela Seddon
Inverse bicontinuous cubic structures formed by lipids have been demonstrated in a wide variety of applications, from a host matrix for proteins for crystallisation, to templates for nanoscale structures. Recent work has focused on tuning their properties to realize such applications, often by manipulating the structure by introducing other lipids with different properties such as charge or packing. However, they are often prepared in the presence of solutions containing salt, counteracting the effects, for example, charged lipids, and fundamentally changing the structures obtained...
August 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28811523/strong-ductile-and-thermally-stable-bcc-mg-nanolaminates
#10
Siddhartha Pathak, Nenad Velisavljevic, J Kevin Baldwin, Manish Jain, Shijian Zheng, Nathan A Mara, Irene J Beyerlein
Magnesium has attracted attention worldwide because it is the lightest structural metal. However, a high strength-to-weight ratio remains its only attribute, since an intrinsic lack of strength, ductility and low melting temperature severely restricts practical applications of Mg. Through interface strains, the crystal structure of Mg can be transformed and stabilized from a simple hexagonal (hexagonal close packed hcp) to body center cubic (bcc) crystal structure at ambient pressures. We demonstrate that when introduced into a nanocomposite bcc Mg is far more ductile, 50% stronger, and retains its strength after extended exposure to 200 C, which is 0...
August 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28810784/molecular-simulation-of-homogeneous-crystal-nucleation-of-ab2-solid-phase-from-a-binary-hard-sphere-mixture
#11
Praveen Kumar Bommineni, Sudeep N Punnathanam
Co-crystal formation from fluid-mixtures is quite common in a large number of systems. The simplest systems that show co-crystal (also called substitutionally ordered solids) formation are binary hard sphere mixtures. In this work, we study the nucleation of AB2 type solid compounds using Monte Carlo molecular simulations in binary hard sphere mixtures with the size ratio of 0.55. The conditions chosen for the study lie in the region where nucleation of an AB2 type solid competes with that of a pure A solid with a face-centered-cubic structure...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810772/computational-prediction-of-a-simple-cubic-carbon-allotrope-consisting-of-c12-clusters
#12
Kun Bu, Zhen-Zhen Li, Jian-Tao Wang
We identify by ab initio calculations a new simple cubic carbon phase in Pa3¯ symmetry, which has a 48-atom unit cell in all-sp(3) bonding networks, thus termed SC48 carbon. It can be viewed as a crystalline form of C12 clusters or a combined structure of SC24 and BC12 carbon, but it is energetically more stable than the recently reported cubic carbon phases such as BC8, SC24, BC12, and fcc-C12. The structural stability is verified by phonon mode analysis. Electronic band and density of state calculations reveal that SC48 carbon is an insulator with a large direct band gap of 4...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810645/influence-of-the-shape-of-the-micro-finite-element-model-on-the-mechanical-properties-calculated-from-micro-finite-element-analysis
#13
Xin-Xin Wen, Hai-Long Yu, Ya-Bo Yan, Chun-Lin Zong, Hai-Jiao Ding, Xiang-Yu Ma, Tian-Sheng Wang, Wei Lei
Assessing the biomechanical properties of trabecular bone is of major biological and clinical significance for the research of bone diseases, fractures and their treatments. Micro-finite element (µFE) models are becoming increasingly popular for investigating the biomechanical properties of trabecular bone. The shapes of µFE models typically include cube and cylinder. Whether there are differences between cubic and cylindrical µFE models has not yet been studied. In the present study, cubic and cylindrical µFE models of human vertebral trabecular bone were constructed...
August 2017: Experimental and Therapeutic Medicine
https://www.readbyqxmd.com/read/28809550/increase-in-the-magnetic-ordering-temperature-tc-as-a-function-of-the-applied-pressure-for-a2mn-mn-cn-6-a-k-rb-cs-prussian-blue-analogues
#14
M Sugimoto, S Yamashita, H Akutsu, Y Nakazawa, J G DaSilva, C M Kareis, Joel S Miller
Magnetization measurements under pressure reveal that the external hydrostatic pressure significantly increases in the ferrimagnetic transition temperature, Tc, for A2Mn[Mn(CN)6] (A = K, Rb, Cs). In the case of monoclinic A = K and Rb, dTc/dp values are 21.2 and 14.6 K GPa(-1), respectively, and Tc increases by 53 and 39%, respectively, from ambient pressure to 1.0 GPa. The cubic A = Cs compound also shows a monotonous increase with an initial rate of 4.22 K GPa(-1) and about 11.4 K GPa(-1) above 0.6 GPa, and an overall Tc increase by 26% at 1...
August 15, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28809460/quasi-dual-packed-kernelled-au49-2-4-dmbt-27-nanoclusters-and-the-influence-of-kernel-packing-on-the-electrochemical-gap
#15
Zhikun Wu
Although face-centered cubic (fcc), body-centered cubic (bcc), hexagonal close-packed (hcp) and other structured gold nanoclusters have been reported, it is still unclear if gold nanoclusters with mix-packed (e.g., fcc and non-fcc) kernels exist, and the correlation between kernel packing and the properties of gold nanoclusters is unknown. Herein, a novel Au49(2,4-DMBT)27 nanocluster with shell electron count of 22 has been synthesized and structurally resolved by single-crystal X-ray crystallography, which revealed that Au49(2,4-DMBT)27 contained a unique Au34 kernel consisting of one quasi-fcc-structured Au21 and one non-fcc-structured Au13 unit (where 2,4-DMBTH = 2,4-dimethylbenzenethiol)...
August 15, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28809417/co9s8-nanoparticles-anchored-on-nitrogen-and-sulfur-dual-doped-carbon-nanosheets-as-highly-efficient-bifunctional-electrocatalyst-for-oxygen-evolution-and-reduction-reactions
#16
Can Wu, Yuhang Zhang, Duo Dong, Haiming Xie, Jinghong Li
To promote the practical application of electrochemical energy storage and conversion systems, nonprecious electrocatalysts of low cost and with highly efficient performance in oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are highly desired. In this work, a cubic sodium chloride (NaCl) crystal-templated strategy is proposed for coupling Co9S8 nanoparticles to nitrogen- and sulfur-doped carbon nanosheets (Co9S8/N,S-CNS) by facile pyrolysis. The nitrogen and sulfur dual-doped carbon nanosheets can effectively prevent the aggregation of Co9S8 nanoparticles and greatly improve the conductivity of the hybrid structure...
August 15, 2017: Nanoscale
https://www.readbyqxmd.com/read/28808433/felix-an-algorithm-for-indexing-multiple-crystallites-in-x-ray-free-electron-laser-snapshot-diffraction-images
#17
Kenneth R Beyerlein, Thomas A White, Oleksandr Yefanov, Cornelius Gati, Ivan G Kazantsev, Nicolai Fog-Gade Nielsen, Peter M Larsen, Henry N Chapman, Søren Schmidt
A novel algorithm for indexing multiple crystals in snapshot X-ray diffraction images, especially suited for serial crystallography data, is presented. The algorithm, FELIX, utilizes a generalized parametrization of the Rodrigues-Frank space, in which all crystal systems can be represented without singularities. The new algorithm is shown to be capable of indexing more than ten crystals per image in simulations of cubic, tetragonal and monoclinic crystal diffraction patterns. It is also used to index an experimental serial crystallography dataset from lysozyme microcrystals...
August 1, 2017: Journal of Applied Crystallography
https://www.readbyqxmd.com/read/28808381/characterization-antibacterial-and-antioxidant-properties-of-silver-nanoparticles-synthesized-from-aqueous-extracts-of-allium-sativum-zingiber-officinale-and-capsicum-frutescens
#18
Gloria Aderonke Otunola, Anthony Jide Afolayan, Emmanuel Olusegun Ajayi, Samuel Wale Odeyemi
BACKGROUND: Herbal drug delivery is limited by poor solubility and bioavailability which can be overcome with suitable nanomaterials that will enhance their pharmacokinetics and performance. OBJECTIVE: This study aimed to analyze the synthesis, characterization, and biological activities of silver nanoparticles (AgNPs) from three spices. MATERIALS AND METHODS: AgNPs were prepared using 0.1 M silver nitrate and aqueous extracts of Allium sativum L...
July 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28808242/unusual-dynamic-precipitation-softening-induced-by-dislocation-glide-in-biomedical-beta-titanium-alloys
#19
Koji Hagihara, Takayoshi Nakano, Mitsuharu Todai
Softening of metallic materials containing precipitates during cyclic deformation occurs through dissolution of the precipitates, because the to-and-fro motion of the dislocation causes dissolution of the precipitate particles by cutting them. Here, however, we found the completely opposite phenomenon for the first time; a "dynamic precipitation softening" phenomenon. In a Ti-35Nb-10Ta-5Zr body-centered cubic structured β-Ti alloy single crystal developed for biomedical implant, the to-and-fro motion of the dislocation "induced" the selective precipitation of the ω-phase whose c-axis is parallel to the Burgers vector of the moving dislocation, which led to the significant cyclic softening of the crystal...
August 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28807087/allergic-bronchopulmonary-mycosis-due-to-exposure-to-eurotium-herbariorum-after-the-great-east-japan-earthquake
#20
Chiyako Oshikata, Maiko Watanabe, Akemi Saito, Masatsugu Ishida, Seiichi Kobayashi, Rumi Konuma, Yoichi Kamata, Jun Terajima, Junichi Cho, Masaru Yanai, Naomi Tsurikisawa
BACKGROUND: Indoor mold levels typically increase after natural disasters, flooding, and water damage. Eurotium herbariorum is the sexual stage of Aspergillus glaucus. Case Presentation A 66-year-old, Japanese male, ex-smoker had been diagnosed with bronchial asthma when he was five years old; he achieved remission at the age of 13 years. He was displaced from his home during the Great East Japan Earthquake on March 11, 2011 and moved to temporary housing in Miyagi Prefecture in June 2011...
August 15, 2017: Prehospital and Disaster Medicine
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