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https://www.readbyqxmd.com/read/28894862/a-novel-polyoxometalate-based-hybrid-containing-a-2d-como8o26-%C3%A2-structure-as-the-anode-for-lithium-ion-batteries
#1
Xiaoxia Chen, Zhi Wang, Ranran Zhang, Liqiang Xu, Di Sun
The proof-of-principle of an unusual fused γ-[Mo8O26](4-) chain as an inorganic ligand is presented for the first time. By sharing two Mo-O edges, the γ-[Mo8O26](4-) subunits are propagated into a one-dimensional (1D) zig-zag chain, which acts as a purely inorganic ligand binding octahedral Co(ii) centers into a two-dimensional (2D) [CoMo8O26]∞ sheet. This material exhibits high initial reversible specific capacity and stable reversible capacity when applied as an anode for lithium-ion batteries (LIBs).
September 12, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28857048/spectral-and-magnetic-properties-of-na2ruo3
#2
Vladimir V Gapontsev, Ernst Z Kurmaev, Clastin I Sathish, Seokhwan Yun, Je-Geun Park, Sergey V Streltsov
We present measurements of resistivity, x-ray absorption (XAS) and emission (XES) spectroscopy together with ab initio band structure calculations for quasi two dimensional ruthenate Na2RuO3. Density function calculations (DFT) and XAS and XES spectra both show that Na2RuO3 is a semiconductor with an activation energy of  ∼80 meV. Our DFT calculations reveal large magneto-elastic coupling in Na2RuO3 and predict that the ground state of Na2RuO3 should be antiferromagnetic zig-zag.
October 11, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28855255/single-molecule-force-spectroscopy-on-histone-h4-tail-cross-linked-chromatin-reveals-fiber-folding
#3
Artur Kaczmarczyk, Abdollah Allahverdi, Thomas B Brouwer, Lars Nordenskiöld, Nynke H Dekker, John van Noort
The eukaryotic genome is highly compacted into a protein-DNA complex called chromatin. The cell controls access of transcriptional regulators to chromosomal DNA via several mechanisms that act on chromatin-associated proteins and provide a rich spectrum of epigenetic regulation. Elucidating the mechanisms that fold chromatin fibers into higher-order structures is therefore key to understanding the epigenetic regulation of DNA accessibility. Here, using histone H4-V21C and histone H2A-E64C mutations, we employed single-molecule force spectroscopy to measure the unfolding of individual chromatin fibers that are reversibly cross-linked through the histone H4 tail...
August 30, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28814962/circulating-zinc-%C3%AE-2-glycoprotein-levels-are-low-in-newly-diagnosed-patients-with-metabolic-syndrome-and-correlate-with-adiponectin
#4
Lu Lei, Kejia Li, Ling Li, Xia Fang, Tingting Zhou, Cheng Zhang, Yong Luo, Hua Liu, Xiaoqiang Li, Hongting Zheng, Lin Zhang, Gangyi Yang, Lin Gao
BACKGROUND: Zinc-α2-glycoprotein (ZAG) is a novel adipokine that reduces insulin resistance, protecting against type 2 diabetes. However, past studies have been contradictory. This cross-sectional study aims to investigate the association of circulating ZAG with metabolic syndrome (MetS) in middle-aged and older Chinese adults. METHODS: Four hundred eighty nine individuals (234 healthy controls and 255 MetS patients) were examined. All individuals were screened for MetS according to the diagnostic guidelines of the United States National Cholesterol Education Program (NCEP) Expert Panel Adult Treatment Panel (ATP) III criteria...
2017: Nutrition & Metabolism
https://www.readbyqxmd.com/read/28808721/unveiling-universal-trends-for-the-energy-level-alignment-in-organic-oxide-interfaces
#5
José I Martínez, Fernando Flores, José Ortega, Sylvie Rangan, Charles M Ruggieri, Robert A Bartynski
In this perspective we present a comprehensive analysis of the energy level alignment at the interface between an organic monolayer (organic = perylenetetracarboxylic dianhydride, PTCDA, zinc tetraphenylporphyrin, Zn-TPP, and tetracyanoquinodimethane, TCNQ) and a prototypical oxide surface, TiO2(110), looking for universal behaviours. PTCDA shows a physisorbed interaction with TiO2 and a small interface dipole potential with its highest occupied molecular orbital (HOMO) energy level located in the oxide energy gap and the lowest occupied molecular orbital (LUMO) energy level located above the oxide conduction band minimum, EC...
August 15, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28801803/the-adsorption-of-no-nh3-n2-on-carbon-surface-a-density-functional-theory-study
#6
Jiayong Wang, Mo Yang, Debing Deng, Shuxia Qiu
To explore the adsorption mechanism of NO, NH3, N2 on a carbon surface, and the effect of basic and acidic functional groups, density functional theory was employed to investigate the interactions between these molecules and carbon surfaces. Molecular electrostatic potential, Mulliken population analyses, reduced density gradient, and Mayer bond order analyses were used to clarify the adsorption mechanism. The results indicate that van der Waals interactions are responsible for N2 physisorption, and N2 is the least likely to adsorb on a carbon surface...
August 11, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28792978/an-upper-palaeolithic-engraved-human-bone-associated-with-ritualistic-cannibalism
#7
Silvia M Bello, Rosalind Wallduck, Simon A Parfitt, Chris B Stringer
Cut-marked and broken human bones are a recurrent feature of Magdalenian (~17-12,000 years BP, uncalibrated dates) European sites. Human remains at Gough's Cave (UK) have been modified as part of a Magdalenian mortuary ritual that combined the intensive processing of entire corpses to extract edible tissues and the modification of skulls to produce skull-cups. A human radius from Gough's Cave shows evidence of cut marks, percussion damage and human tooth marks, indicative of cannibalism, as well as a set of unusual zig-zagging incisions on the lateral side of the diaphysis...
2017: PloS One
https://www.readbyqxmd.com/read/28792846/nanodosimetric-simulation-of-direct-ion-induced-dna-damage-using-different-chromatin-geometry-models
#8
N T Henthorn, J W Warmenhoven, M Sotiropoulos, R I Mackay, K J Kirkby, M J Merchant
Monte Carlo based simulation has proven useful in investigating the effect of proton-induced DNA damage and the processes through which this damage occurs. Clustering of ionizations within a small volume can be related to DNA damage through the principles of nanodosimetry. For simulation, it is standard to construct a small volume of water and determine spatial clusters. More recently, realistic DNA geometries have been used, tracking energy depositions within DNA backbone volumes. Traditionally a chromatin fiber is built within the simulation and identically replicated throughout a cell nucleus, representing the cell in interphase...
August 9, 2017: Radiation Research
https://www.readbyqxmd.com/read/28773170/linear-static-behavior-of-damaged-laminated-composite-plates-and-shells
#9
Francesco Tornabene, Nicholas Fantuzzi, Michele Bacciocchi
A mathematical scheme is proposed here to model a damaged mechanical configuration for laminated and sandwich structures. In particular, two kinds of functions defined in the reference domain of plates and shells are introduced to weaken their mechanical properties in terms of engineering constants: a two-dimensional Gaussian function and an ellipse shaped function. By varying the geometric parameters of these distributions, several damaged configurations are analyzed and investigated through a set of parametric studies...
July 17, 2017: Materials
https://www.readbyqxmd.com/read/28759138/formation-of-binuclear-zigzag-hexapentaene-titanium-complexes-via-a-titanacumulene-ti-c-c-ch2-intermediate
#10
Tim Oswald, Tina Gelert, Christian Lasar, Marc Schmidtmann, Thorsten Klüner, Rüdiger Beckhaus
The reaction of bis(η(5) :η(1) -pentafulvene)titanium complexes with an allylidenephosphorylide Ph3 P=C(H)- C(H)=CH2 leads to binuclear zigzag hexapentaene titanium complexes (Ti2a, Ti2b). The formation of the central C6 H4 unit can be described as a spontaneous double C-H bond activation process, leading to an R3 P=C=C=CH2 intermediate, as a synthon for a titanabutatriene fragment [(Cp(R) )2 Ti=C=C=CH2 ] (R: 2-adamantyl, CH(p-tol)2 ). In a subsequent dimerization Ti2a and Ti2b are formed, proofed by single-crystal X-ray diffraction and NMR measurements...
July 31, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28747687/protected-surface-state-in-stepped-fe-0-18-1
#11
Manuel Izquierdo, Piero Torelli, Jun Fujii, Giancarlo Panaccione, Ivana Vobornik, Giorgio Rossi, Fausto Sirotti
Carbon (C) surface segregation from bulk stabilizes the Fe(0 18 1) vicinal surface by forming a c(3[Formula: see text] × [Formula: see text] reconstruction with C zig-zag chains oriented at 45° with respect to the iron surface steps. The iron surface electronic states as measured by high resolution ARPES at normal emission with polarized synchrotron radiation split in two peaks that follow distinct energy dispersion curves. One peak follows the dispersion of the carbon superstructure and is photoexcited only when the polarization vector is parallel to the steps, the second peak disperses similarly to the pristine Fe(0 0 1) surface...
July 26, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28726353/spin-singlet-quantum-ground-state-in-zig-zag-spin-ladder-cu-cf3coo-2
#12
Igor L Danilovich, Elena V Karpova, Igor V Morozov, Alexey V Ushakov, Sergey V Streltsov, Alexander A Shakin, Olga S Volkova, Elena A Zvereva, Alexander Vasiliev
The copper salt of trifluoroacetic acid Cu(CF3COO)2 offer new platform to investigate the quantum ground states of low-dimensional magnets. In practice, it realizes the ideal case of solid hosting essentially isolated magnetic monolayers. These entities are constituted by well separated two-leg half-integer spin ladders organized in zig-zag fashion. The ladders are comprised by dimeric units of edge-sharing tetragonal pyramids coupled through carbon ions. The spin-gapped state in this compound was revealed by static and dynamic magnetic measurements...
July 20, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28706311/first-report-of-the-fig-cyst-nematode-heterodera-fici-kirjanova-on-fig-tree-ficus-carica-in-ontario-canada
#13
Fengcheng Sun, Neil Henry, Qing Yu
Although fig trees are a popular ornamental fruit tree in subtropical regions, some hardy species, such as Ficus carica, have been grown in the west coast of British Columbia and southern Ontario in Canada. The fig cyst nematode, Heterodera fici Kirjanova, is a pest on fig plants, and the heavy infestation can cause retarded growth and yellowing of leaves (Maqbool et al., 1987). In the spring of 2016, a sample of rhizosphere from a potted fig (F. carica) seedling was submitted to the Nematology Laboratory, Canadian Food Inspection Agency...
June 2017: Journal of Nematology
https://www.readbyqxmd.com/read/28703255/contorted-polycyclic-aromatic-hydrocarbons-with-cove-regions-and-zig-zag-edges
#14
Yulan Chen, Tomasz Marszalek, Torsten Fritz, Martin Baumgarten, Manfred Wagner, Wojciech Pisula, Long Chen, Klaus Müllen
A series of tetrapyrene-fused benzocoronenes was synthesized by a "bottom-up" approach, which offers a facile access to extended polycyclic aromatic hydrocarbons with concave π-surfaces, cove regions and zig-zag edges.
July 25, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28694353/a-centrosomal-protein-for20-regulates-microtubule-assembly-dynamics-and-plays-a-role-in-cell-migration
#15
Shalini Srivastava, Dulal Panda
Here, we report that a centrosomal protein FOR20 [FOP (FGFR1 (fibroblast growth factor receptor 1) oncogene protein)-like protein of molecular mass of 20 kDa; also named as C16orf63, FLJ31153 or PHSECRG2] can regulate the assembly and stability of microtubules. Both FOR20 IgG antibody and GST (glutathione S-transferase)-tagged FOR20 could precipitate tubulin from the HeLa cell extract, indicating a possible interaction between FOR20 and tubulin. FOR20 was also detected in goat brain tissue extract and it cycled with microtubule-associated proteins...
August 10, 2017: Biochemical Journal
https://www.readbyqxmd.com/read/28670104/self-consistent-gradient-flow-for-shape-optimization
#16
D Kraft
We present a model for image segmentation and describe a gradient-descent method for level-set based shape optimization. It is commonly known that gradient-descent methods converge slowly due to zig-zag movement. This can also be observed for our problem, especially when sharp edges are present in the image. We interpret this in our specific context to gain a better understanding of the involved difficulties. One way to overcome slow convergence is the use of second-order methods. For our situation, they require derivatives of the potentially noisy image data and are thus undesirable...
July 4, 2017: Optimization Methods & Software
https://www.readbyqxmd.com/read/28661158/tailoring-the-structure-of-58-electron-gold-nanoclusters-au103s2-s-nap-41-and-its-implications
#17
Tatsuya Higaki, Chong Liu, Meng Zhou, Tian-Yi Luo, Nathaniel L Rosi, Rongchao Jin
We report the synthesis and crystal structure determination of a gold nanocluster with 103 gold atoms protected by 2 sulfidos and 41 thiolates (i.e., 2-naphthalenethiolates, S-Nap), denoted as Au103S2(S-Nap)41. The crystallographic analysis reveals that the thiolate ligands on the nanocluster form local tetramers by intracluster interactions of C-H···π and π···π stacking. The herringbone pattern formation via intercluster interactions is also observed, which leads to a linearly connected zigzag pattern in the single crystal...
July 11, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28654278/self-assembly-of-inas-nanostructures-on-the-sidewalls-of-gaas-nanowires-directed-by-a-bi-surfactant
#18
Ryan B Lewis, Pierre Corfdir, Jesús Herranz, Hanno Küpers, Uwe Jahn, Oliver Brandt, Lutz Geelhaar
Surface energies play a dominant role in the self-assembly of three-dimensional (3D) nanostructures. In this Letter, we show that using surfactants to modify surface energies can provide a means to externally control nanostructure self-assembly, enabling the synthesis of novel hierarchical nanostructures. We explore Bi as a surfactant in the growth of InAs on the {11̅0} sidewall facets of GaAs nanowires. The presence of surface Bi induces the formation of InAs 3D islands by a process resembling the Stranski-Krastanov mechanism, which does not occur in the absence of Bi on these surfaces...
June 29, 2017: Nano Letters
https://www.readbyqxmd.com/read/28621798/the-relationship-of-serum-adipokines-with-malnutrition-inflammation-score-in-haemodialysis
#19
Elham Alipoor, Ahmad Esmaillzadeh, Mitra Mahdavi-Mazdeh, Mehdi Yaseri, Narges Sadat Zahed, Mohammad Javad Hosseinzadeh-Attar
BACKGROUND: Protein-energy wasting is a prevalent disorder in haemodialysis. Zinc-α2-glycoprotein (ZAG) and adipose triglyceride lipase (ATGL) are novel adipokines with recognized lipolytic effects and proposed role in metabolic homoeostasis. This study was conducted to investigate the association of ZAG and ATGL concentrations with malnutrition-inflammation score (MIS) and metabolic profile of patients with haemodialysis. MATERIALS AND METHODS: Eighty-eight patients under regular haemodialysis were divided based on MIS to normal to mild wasting (NMW; n = 35) or moderate wasting (MW; n = 53) group...
June 16, 2017: European Journal of Clinical Investigation
https://www.readbyqxmd.com/read/28618229/staggered-linear-assembly-of-spherical-cap-colloids
#20
Yogesh Shelke, Manigandan Sabapathy, Ethayaraja Mani
Linear assembly of colloidal particles is of fundamental interest in visualizing polymer dynamics and living organisms. We have developed a fluid-fluid interface-based method to synthesize spherical-cap polymeric latex particles. These particles are shown to spontaneously self-assemble in zigzag arrangement. The linear assembly is induced due to the shape anisotropy (one side is curved and the other side is nearly flat) and heterogeneous charge distribution on the particle surfaces. The necessities of these conditions are justified within the framework of DLVO theory...
June 27, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
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