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https://www.readbyqxmd.com/read/28549332/synthesis-and-characterization-of-fullerene-modified-znalti-ldo-in-photo-degradation-of-bisphenol-a-under-simulated-visible-light-irradiation
#1
Liting Ju, Pingxiao Wu, Xiaolin Lai, Shanshan Yang, Beini Gong, Meiqing Chen, Nengwu Zhu
In this study, ZnAlTi layered double hydroxide (ZnAlTi-LDH) combined with fullerene (C60) was fabricated by the urea method, and calcined under vacuum atmosphere to obtain nanocomposites of C60-modified ZnAlTi layered double oxide (ZnAlTi-LDO). The morphology, structure and composition of the nanocomposites were analyzed by Scanning Electron Microscopy, High-resolution transmission electron microscopy, X-ray diffraction patterns, Fourier transform infrared and specific surface area. The UV-vis diffuse reflectance spectra indicated that the incorporation of C60 expanded the absorption of ZnAlTi-LDO to visible-light region...
May 23, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28549295/structural-characterization-of-astaxanthin-aggregates-as-revealed-by-analysis-and-simulation-of-optical-spectra
#2
Liping Lu, Taoping Hu, Zhigang Xu
Carotenoids can self-assemble in hydrated polar solvents to form J- or H-type aggregates, inducing dramatic changes in photophysical properties. Here, we measured absorption and emission spectra of astaxanthin in ethanol-water solution using ultraviolet-visible and fluorescence spectrometers. Two types of aggregates were distinguished in mixed solution at different water contents by absorption spectra. After addition of water, all probed samples immediately formed H-aggregates with maximum blue shift of 31nm...
May 15, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28549119/systematic-review-of-cost-effectiveness-of-myocardial-perfusion-scintigraphy-in-patients-with-ischaemic-heart-disease-a-report-from-the-cardiovascular-committee-of-the-european-association-of-nuclear-medicine-endorsed-by-the-european-association-of-cardiovascular
#3
Elin Trägårdh, Siok Swan Tan, Jan Bucerius, Alessia Gimelli, Oliver Gaemperli, Oliver Lindner, Denis Agostini, Christopher Übleis, Roberto Sciagrà, Riemer H Slart, S Richard Underwood, Fabien Hyafil, Marcus Hacker, Hein J Verberne
Coronary artery disease (CAD) is a major cause of death and disability. Several diagnostic tests, such as myocardial perfusion scintigraphy (MPS), are accurate for the detection of CAD, as well as having prognostic value for the prediction of cardiovascular events. Nevertheless, the diagnostic and prognostic value of these tests should be cost-effective and should lead to improved clinical outcome. We have reviewed the literature on the cost-effectiveness of MPS in different circumstances: (i) the diagnosis and management of CAD; (ii) comparison with exercise electrocardiography (ECG) and other imaging tests; (iii) as gatekeeper to invasive coronary angiography (ICA), (iv) the impact of appropriate use criteria; (v) acute chest pain, and (vi) screening of asymptomatic patients with type-2 diabetes...
May 26, 2017: European Heart Journal Cardiovascular Imaging
https://www.readbyqxmd.com/read/28549079/computational-modeling-of-immune-system-of-the-fish-for-a-more-effective-vaccination-in-aquaculture
#4
Alice Madonia, Cristiano Melchiorri, Simone Bonamano, Marco Marcelli, Chiara Bulfon, Filippo Castiglione, Marco Galeotti, Donatella Volpatti, Francesco Mosca, Pietro-Giorgio Tiscar, Nicla Romano
Motivation: A computational model equipped with the main immunological features of the sea bass ( Dicentrarchus labrax L. ) immune system was used to predict more effective vaccination in fish. The performance of the model was evaluated by using the results of two in vivo vaccinations trials against L. anguillarum and P. damselae . Tests were performed to select the appropriate doses of vaccine and infectious bacteria to set up the model. Simulation outputs were compared with the specific antibody production and the expression of BcR and TcR gene transcripts in spleen...
May 26, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28549046/associations-of-physical-fitness-and-body-composition-characteristics-with-simulated-military-task-performance
#5
K Pihlainen, M Santtila, K Häkkinen, H Kyröläinen
The purpose of the present study was to evaluate the associations of physical fitness and body composition characteristics with anaerobic endurance performance, tested in the combat load using the occupationally relevant military simulation test (MST). Eighty-one male soldiers, deployed to a crisis management operation in the Middle East, volunteered for the study and participated in a test battery consisting measurements of muscle strength, body composition characteristics, endurance capacity, and MST.A Spearman correlational analysis revealed that the strongest variable, correlated with MST time, was the countermovement jump performed with the combat load (CMJ2) (rs = -0...
May 25, 2017: Journal of Strength and Conditioning Research
https://www.readbyqxmd.com/read/28548901/neuroendocrine-differentiation-in-basal-cell-carcinoma
#6
Yoldez Houcine, Ines Chelly, Alia Zehani, Linda Belhaj Kacem, Haifa Azzouz, Wafa Rekik, Hend C, Slim Haouet, Nidhameddine Kchir
Basal cell carcinoma (BCC) is the prototypical basaloid tumour of the skin. It may show various patterns simulating other cutaneous tumours due to its pleomorphism. It may have unusal pattern of differentiaton such as squamous, sebaceous, apocrine, eccrine, pilar and endocrine differentiation. In order to establish the relative frequency of neuroendocrine differentiation in BCC, we performed a retrospective study of 33 consecutive BCCs using conventional immunohistochemistry with two neuroendocrine antibodies: Chromogranine A and synaptophysine...
May 26, 2017: Journal of Immunoassay & Immunochemistry
https://www.readbyqxmd.com/read/28548858/theoretical-study-of-acetic-acid-association-based-on-hydrogen-bonding-mechanism
#7
Minhua Zhang, Lihang Chen, Huaming Yang, Jing Ma
Combining molecular dynamics (MD) and quantum chemistry (QM) simulation, the association mechanism of acetic acid systems were examined. DFT method was proposed to compare the hydrogen-bonding energy of variable acetic acid dimers, and definitely provided the stable dimers configuration. Geometry parameters of dimers were also obtained by QM calculations, which were taken as the characteristic criteria for further MD analysis. Proportion of different acetic acid dimers in gas phase was obtained by Radial distribution function (RDF) analysis, and cyclic dimer with two O=c-Hoacid hydrogen bonds was demonstrated as the most stable structure...
May 26, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28548857/experimental-demonstration-of-complete-180-o-reversal-of-magnetization-in-isolated-co-nanomagnets-on-a-pmn-pt-substrate-with-voltage-generated-strain
#8
Ayan Kumar Biswas, Hasnain Ahmad, Jayasimha Atulasimha, Supriyo Bandyopadhyay
Rotating the magnetization of a shape anisotropic magnetostrictive nanomagnet with voltage-generated stress/strain dissipates much less energy than most other magnetization rotation schemes, but its application to writing bits in non-volatile magnetic memory has been hindered by the fundamental inability of stress/strain to rotate magnetization by full 180(o). Normally, stress/strain can rotate the magnetization of a shape anisotropic elliptical nanomagnet by only up to 90(o), resulting in incomplete magnetization reversal...
May 26, 2017: Nano Letters
https://www.readbyqxmd.com/read/28548854/curcumin-protects-membranes-through-carpet-or-insertion-model-depending-on-hydration
#9
Richard J Alsop, Alexander Dhaliwal, Maikel C Rheinstadter
Curcumin is the main ingredient of turmeric, a common Indian spice. Curcumin shows a broad spectrum of effects, including anti-Alzheimer's and anti-oxidant properties. An interaction between curcumin and lipid membranes has been speculated as the root-cause, and the molecule is often proposed to `protect' the bilayer. However, the detailed molecular mechanism of this protection is disputed. There is evidence that curcumin either a) lies flat on the bilayer and provides a `carpet' for protection by forming a steric barrier, or b) inserts into the membrane and stiffens tails, thereby protecting against peptide insertion...
May 26, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28548847/simulating-the-electronic-circular-dichroism-spectra-of-photo-reversible-peptide-conformations
#10
Hugo Gattuso, Cristina García-Iriepa, Diego Sampedro, Antonio Monari, Marco Marazzi
Electronic circular dichroism (CD) spectroscopy of peptides is one of the most important experimental char-acterization tools to get insights regarding their structure. Nevertheless, even though highly useful, the reliable simulations of CD spectra result in a complex task. Here, we propose a combination of quantum mechanics/molecular mechanics (QM/MM) methods with a semi-empirical Hamiltonian based on the Frankel excitons theory to efficiently describe the behavior of a 27-amino acid α-helical peptide in water...
May 26, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28548835/rapid-deposition-of-uniform-polydopamine-coatings-on-nanoparticle-surfaces-with-controllable-thickness
#11
Nazar Orishchin, Cameron C Crane, Matthew Brownell, Tengjiao Wang, Samuel Jenkins, Min Zou, Arun Nair, Jingyi Chen
Polydopamine is a bioinspired, versatile material that can adhere to bulk and nanoscale surfaces made of disparate materials to improve their physical and chemical properties in many applications. The typical methods to coat polydopamine on the nanoparticle substrates usually take several hours to a day. This work successfully applies a dispersion method to form a controllable, uniform coating on a nanoparticle surface within minutes. Using plasmonic Ag nanoparticles as a substrate, the coating thickness can be monitored using a spectroscopic method based on the extinction peak shifts of the Ag nanoparticles...
May 26, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28548710/measurement-of-glycine-in-healthy-and-tumorous-brain-by-triple-refocusing-mrs-at-3%C3%A2-t-in-vivo
#12
Vivek Tiwari, Zhongxu An, Sandeep K Ganji, Jeannie Baxter, Toral R Patel, Edward Pan, Bruce E Mickey, Elizabeth A Maher, Marco C Pinho, Changho Choi
Glycine (Gly) has been implicated in several neurological disorders, including malignant brain tumors. The precise measurement of Gly is challenging largely as a result of the spectral overlap with myo-inositol (mI). We report a new triple-refocusing sequence for the reliable co-detection of Gly and mI at 3 T and for the evaluation of Gly in healthy and tumorous brain. The sequence parameters were optimized with density-matrix simulations and phantom validation. With a total TE of 134 ms, the sequence gave complete suppression of the mI signal between 3...
May 26, 2017: NMR in Biomedicine
https://www.readbyqxmd.com/read/28548693/hemodynamic-impact-of-the-c-pulse-cardiac-support-device-a-one-dimensional-arterial-model-study
#13
Daimé Campos Arias, Francisco Londono, Tania Rodríguez Moliner, Dimitrios Georgakopoulos, Nikos Stergiopulos, Patrick Segers
The C-Pulse is a novel extra-aortic counter-pulsation device to unload the heart in patients with heart failure. Its impact on overall hemodynamics, however, is not fully understood. In this study, the function of the C-Pulse heart assist system is implemented in a one-dimensional (1-D) model of the arterial tree, and central and peripheral pressure and flow waveforms with the C-Pulse turned on and off were simulated. The results were studied using wave intensity analysis and compared with in vivo data measured non-invasively in three patients with heart failure and with invasive data measured in a large animal (pig)...
May 26, 2017: Artificial Organs
https://www.readbyqxmd.com/read/28548674/how-silver-segregation-stabilizes-1d-surface-gold-oxide-a-cluster-expansion-study-combined-with-ab-initio-md-simulations
#14
Sandra Hoppe, Yong Li, Lyudmila V Moskaleva, Stefan Müller
Gold has many unique properties, some of which continue to be uncovered, such as the rich chemistry of gold at the nanoscale. In this study, gold surprises us again by the unusual stability of one-dimensional gold oxide structures on the surface of gold, which enhances in the presence of silver impurities. We employ first-principles calculations to investigate the surface segregation of silver in the presence of atomic-oxygen adsorbates arranged in chains on the Au(321) surface. Such 1D oxide chains have previously been suggested as the most stable form of adsorbed oxygen on gold...
May 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28548627/combined-single-molecule-experimental-and-computational-approaches-for-understanding-the-unfolding-pathway-of-a-viral-translation-enhancer-that-participates-in-a-conformational-switch
#15
My-Tra Le, Wojciech K Kasprzak, Bruce A Shapiro, Anne E Simon
How plus-strand [+]RNA virus genomes transition from translation templates to replication templates is a matter of much speculation. We have previously proposed that, for Turnip crinkle virus, binding of the encoded RNA-dependent RNA polymerase (RdRp) to the 3'UTR of the [+]RNA template promotes a regional wide-spread conformational switch to an alternative structure that disassembles the cap-independent translation element (CITE) in the 3'UTR. The active 3'CITE folds into a tRNA-like T-shaped structure (TSS) that binds to 80S ribosomes and 60S subunits in the P-site...
May 26, 2017: RNA Biology
https://www.readbyqxmd.com/read/28548538/overestimation-of-viscosity-by-the-green-kubo-method-in-a-dusty-plasma-experiment
#16
Zach Haralson, J Goree
The Green-Kubo (GK) method is widely used in simulations of strongly coupled plasmas to obtain the viscosity coefficient. However, the method's applicability, which is often taken for granted, has not been tested experimentally. We report an experimental test using a two-dimensional strongly coupled dusty plasma. We find that the GK viscosity is ≈60% larger than the result of a benchmark hydrodynamic method, obtained in the same experiment with the same conditions except for the presence of shear.
May 12, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28548532/time-bin-encoded-boson-sampling-with-a-single-photon-device
#17
Yu He, X Ding, Z-E Su, H-L Huang, J Qin, C Wang, S Unsleber, C Chen, H Wang, Y-M He, X-L Wang, W-J Zhang, S-J Chen, C Schneider, M Kamp, L-X You, Z Wang, S Höfling, Chao-Yang Lu, Jian-Wei Pan
Boson sampling is a problem strongly believed to be intractable for classical computers, but can be naturally solved on a specialized photonic quantum simulator. Here, we implement the first time-bin-encoded boson sampling using a highly indistinguishable (∼94%) single-photon source based on a single quantum-dot-micropillar device. The protocol requires only one single-photon source, two detectors, and a loop-based interferometer for an arbitrary number of photons. The single-photon pulse train is time-bin encoded and deterministically injected into an electrically programmable multimode network...
May 12, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28548528/typical-relaxation-of-isolated-many-body-systems-which-do-not-thermalize
#18
Ben N Balz, Peter Reimann
We consider isolated many-body quantum systems which do not thermalize; i.e., expectation values approach an (approximately) steady longtime limit which disagrees with the microcanonical prediction of equilibrium statistical mechanics. A general analytical theory is worked out for the typical temporal relaxation behavior in such cases. The main prerequisites are initial conditions which appreciably populate many energy levels and do not give rise to significant spatial inhomogeneities on macroscopic scales...
May 12, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28548520/oxysulfide-lialso-a-lithium-superionic-conductor-from-first-principles
#19
Xuelong Wang, Ruijuan Xiao, Hong Li, Liquan Chen
Through first-principles calculations and crystal structure prediction techniques, we identify a new layered oxysulfide LiAlSO in orthorhombic structure as a novel lithium superionic conductor. Two kinds of stacking sequences of layers of AlS_{2}O_{2} are found in different temperature ranges. Phonon and molecular dynamics simulations verify their dynamic stabilities, and wide band gaps up to 5.6 eV are found by electronic structure calculations. The lithium migration energy barrier simulations reveal the collective interstitial-host ion "kick-off" hopping mode with barriers lower than 50 meV as the dominating conduction mechanism for LiAlSO, indicating it to be a promising solid-state electrolyte in lithium secondary batteries with fast ionic conductivity and a wide electrochemical window...
May 12, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28548516/relativistic-electron-streaming-instabilities-modulate-proton-beams-accelerated-in-laser-plasma-interactions
#20
S Göde, C Rödel, K Zeil, R Mishra, M Gauthier, F-E Brack, T Kluge, M J MacDonald, J Metzkes, L Obst, M Rehwald, C Ruyer, H-P Schlenvoigt, W Schumaker, P Sommer, T E Cowan, U Schramm, S Glenzer, F Fiuza
We report experimental evidence that multi-MeV protons accelerated in relativistic laser-plasma interactions are modulated by strong filamentary electromagnetic fields. Modulations are observed when a preplasma is developed on the rear side of a μm-scale solid-density hydrogen target. Under such conditions, electromagnetic fields are amplified by the relativistic electron Weibel instability and are maximized at the critical density region of the target. The analysis of the spatial profile of the protons indicates the generation of B>10  MG and E>0...
May 12, 2017: Physical Review Letters
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