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https://www.readbyqxmd.com/read/29161040/does-the-cl-ch4-%C3%A2-h-ch3cl-reaction-proceed-via-walden-inversion
#1
Laszlo Krotos, Gabor Czako
We report a chemically accurate global ab initio full-dimensional potential energy surface (PES) for the Cl(2P3/2) + CH4 reaction improving the high-energy region of our previous PES [Czakó, G.; Bowman, J. M. Science 2011, 334, 343-346]. Besides the abstraction (HCl + CH3) and the Walden-inversion substitution (H + CH3Cl) channels, the new PES accurately describes novel substitution pathways via retention of configuration. Quasiclassical trajectory simulation on this PES reveals that the substitution channel opens around 40 kcal/mol collision energy via Walden inversion and the retention cross sections raise from ∼50 kcal/mol...
November 21, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29160777/motion-compensation-with-skin-contact-control-for-high-intensity-focused-ultrasound-surgery-in-moving-organs
#2
Alessandro Diodato, Andrea Cafarelli, Andrea Schiappacasse, Selene Tognarelli, Gastone C Ciuti, Arianna Menciassi
High Intensity Focused Ultrasound (HIFU) is an emerging therapeutic solution that enables non-invasive treatment of several pathologies, mainly in oncology. On the other hand, accurate targeting of moving abdominal organs (e.g., liver, kidney, pancreas) is still an open challenge. This paper proposes a novel method to compensate the physiological respiratory motion of organs during HIFU procedures, by exploiting a robotic platform for ultrasound-guided HIFU surgery provided with a therapeutic annular phased array transducer...
November 21, 2017: Physics in Medicine and Biology
https://www.readbyqxmd.com/read/29160321/uv-photodissociation-dynamics-of-chi2cl-and-its-role-as-a-photolytic-precursor-for-a-chlorinated-criegee-intermediate
#3
Kara M Kapnas, Benjamin W Toulson, Elizabeth S Foreman, Sarah A Block, J Grant Hill, Craig Murray
Photolysis of geminal diiodoalkanes in the presence of molecular oxygen has become an established route to the laboratory production of several Criegee intermediates, and such compounds also have marine sources. Here, we explore the role that the trihaloalkane, chlorodiiodomethane (CHI2Cl), may play as a photolytic precursor for the chlorinated Criegee intermediate ClCHOO. CHI2Cl has been synthesized and its UV absorption spectrum measured; relative to that of CH2I2 the spectrum is shifted to longer wavelength and the photolysis lifetime is calculated to be less than two minutes...
November 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29160242/angular-dependent-magnetoresistance-study-in-ca-sub-0-73-sub-la-sub-0-27-sub-feas-sub-2-sub-a-i-parent-i-compound-of-112-type-iron-pnictide-superconductors
#4
Xiangzhuo Xing, Chunqiang Xu, Zhanfeng Li, Jiajia Feng, Nan Zhou, Yufeng Zhang, Yue Sun, Wei Zhou, Xiaofeng Xu, Zhixiang Shi
We report a study of angular-dependent magnetoresistance (AMR) with the magnetic field rotated in the plane perpendicular to the current on a Ca<sub>0.73</sub>La<sub>0.27</sub>FeAs<sub>2</sub> single crystal, which is regarded as a "<i>parent</i>" compound of 112-type iron pnictide superconductors. A pronounced AMR with twofold symmetry is observed, signifying the highly anisotropic Fermi surface. By further analyzing the AMR data, we find that the Fermi surface above the structural/antiferromagnetic (AFM) transition (<i>T</i><sub>s</sub>/<i>T</i><sub>N</sub>) is quasi-two-dimensional (2D), as revealed by the 2D scaling behavior of the AMR, Δρ/ρ(0) (<i>H</i>, θ)=Δρ/ρ(0) (μ<sub>0</sub><i>H</i>cos<i>θ</i>), <i>θ</i> being the magnetic field angle with respect to the c axis...
November 21, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/29159012/robust-planning-for-a-patient-treated-in-decubitus-position-with-proton-pencil-beam-scanning-radiotherapy
#5
Shikui Tang, Limin Song, Jared D Sturgeon, Chang Chang
A challenging case was reported for a patient treated in decubitus position with proton pencil beam scanning. A regular robust plan with the consideration of the uncertainties of translational alignment and range accuracy cannot ensure the target coverage as revealed in two verification computed tomography (CT) scans during the first week of the treatment. The irreproducibility of daily alignment and anatomical variations in such a position is mainly due to patient's roll. To mitigate the interfractional effect on the target coverage, a novel robust optimization against the patient's angular setup uncertainties was implemented to improve the plan quality by introducing two artificial CT image sets by rolling the planning CT three degrees in both clockwise and counter-clockwise directions and adding them into robust optimization scenarios, which was shown to be an effective and simple way to mitigate target dose degradation with respect to interfractional variations...
September 20, 2017: Curēus
https://www.readbyqxmd.com/read/29158407/dynamics-of-a-rolling-robot
#6
K I Ilin, H K Moffatt, V A Vladimirov
Equations describing the rolling of a spherical ball on a horizontal surface are obtained, the motion being activated by an internal rotor driven by a battery mechanism. The rotor is modeled as a point mass mounted inside a spherical shell and caused to move in a prescribed circular orbit relative to the shell. The system is described in terms of four independent dimensionless parameters. The equations governing the angular momentum of the ball relative to the point of contact with the plane constitute a six-dimensional, nonholonomic, nonautonomous dynamical system with cubic nonlinearity...
November 20, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29158006/vdr-independent-induction-of-acid-sphingomyelinase-by-1-23-oh-2-d3-in-gastric-cancer-cells-impact-on-apoptosis-and-cell-morphology
#7
Elisabetta Albi, Samuela Cataldi, Ivana Ferri, Angelo Sidoni, Giovanna Traina, Katia Fettucciari, Francesco Saverio Ambesi-Impiombato, Andrea Lazzarini, Francesco Curcio, Maria Rachele Ceccarini, Tommaso Beccari, Michela Codini
1 alpha,25-dihydroxyvitamin D3 (1,23(OH)2 D3) is known to play a dual role in cancer, by promoting or inhibiting carcinogenesis via 1,23(OH)2 D3 receptor (VDR) and phosphatase and tensin homolog deleted on chromosome 10 (PTEN). Fok I polymorphism of VDR may indirectly influence the receptor levels through autoregulation. The involvement of neutral sphingomyelinase in the non-classic VDR-mediated genomic pathway response to 1,23(OH)2 D3 treatment has been reported. Until now no information were reported about Fok I polymorphism of VDR in NCI-N87 human gastric cancer cells and the relation between acid sphingomyelinase and 1,23(OH)2 D3...
November 17, 2017: Biochimie
https://www.readbyqxmd.com/read/29157936/short-parietal-lobe-connections-of-the-human-and-monkey-brain
#8
Marco Catani, Naianna Robertsson, Ahmad Beyh, Vincent Huynh, Francisco de Santiago Requejo, Henrietta Howells, Rachel L C Barrett, Marco Aiello, Carlo Cavaliere, Tim B Dyrby, Kristine Krug, Maurice Ptito, Helen D'Arceuil, Stephanie J Forkel, Flavio Dell'Acqua
The parietal lobe has a unique place in the human brain. Anatomically, it is at the crossroad between the frontal, occipital, and temporal lobes, thus providing a middle ground for multimodal sensory integration. Functionally, it supports higher cognitive functions that are characteristic of the human species, such as mathematical cognition, semantic and pragmatic aspects of language, and abstract thinking. Despite its importance, a comprehensive comparison of human and simian intraparietal networks is missing...
November 2, 2017: Cortex; a Journal Devoted to the Study of the Nervous System and Behavior
https://www.readbyqxmd.com/read/29156971/new-angular-oxazole-fused-coumarin-derivatives-synthesis-and-biological-activities
#9
Yan Wei, Shi-Qiang Li, Shuang-Hong Hao
Twelve angular oxazole-fused coumarin derivatives were designed, synthesised and characterised by (1)H NMR, (13)C NMR and HRMS. The structure of compound 4a was further confirmed by X-ray single-crystal diffraction. The bioassay experiment results indicated that compounds 4f and 4l have high antifungal activity on the mycelium growth of 4 plant disease fungi. Especially, compound 4l has a stronger antifungal activity compare to the commercial fungicide, Carbendazim. The herbicidal activity experiment showed that 4a and 4b can significantly inhibit the taproot and caulis development of Chenopodium album seedling and have better activities than the commercial herbicide, Acetochlor...
November 20, 2017: Natural Product Research
https://www.readbyqxmd.com/read/29156595/two-dimensional-micro-nanoradian-angle-generator-with-high-resolution-and-repeatability-based-on-piezo-driven-double-axis-flexure-hinge-and-three-capacitive-sensors
#10
Xinran Tan, Fan Zhu, Chao Wang, Yang Yu, Jian Shi, Xue Qi, Feng Yuan, Jiubin Tan
This study presents a two-dimensional micro-/nanoradian angle generator (2D-MNAG) that achieves high angular displacement resolution and repeatability using a piezo-driven flexure hinge for two-dimensional deflections and three capacitive sensors for output angle monitoring and feedback control. The principal error of the capacitive sensor for precision microangle measurement is analyzed and compensated for; so as to achieve a high angle output resolution of 10 nrad (0.002 arcsec) and positioning repeatability of 120 nrad (0...
November 19, 2017: Sensors
https://www.readbyqxmd.com/read/29156560/system-modeling-of-a-mems-vibratory-gyroscope-and-integration-to-circuit-simulation
#11
Hyukjin J Kwon, Seyeong Seok, Geunbae Lim
Recently, consumer applications have dramatically created the demand for low-cost and compact gyroscopes. Therefore, on the basis of microelectromechanical systems (MEMS) technology, many gyroscopes have been developed and successfully commercialized. A MEMS gyroscope consists of a MEMS device and an electrical circuit for self-oscillation and angular-rate detection. Since the MEMS device and circuit are interactively related, the entire system should be analyzed together to design or test the gyroscope. In this study, a MEMS vibratory gyroscope is analyzed based on the system dynamic modeling; thus, it can be mathematically expressed and integrated into a circuit simulator...
November 18, 2017: Sensors
https://www.readbyqxmd.com/read/29155842/posterior-column-acetabular-fracture-fixation-using-a-w-shaped-angular-plate-a-biomechanical-analysis
#12
Ke Su, Song Liu, Tao Wu, Yingchao Yin, Ruipeng Zhang, Shilun Li, Yingze Zhang
OBJECTIVE: The purpose of this study was to compare the stability and feasibility of four fixation constructs in a posterior column acetabular fracture: one reconstruction plate, one reconstruction plate and lag screw, two reconstruction plates, and a W-shaped acetabular angular plate. METHODS: Twenty embalmed cadaveric pelvises with a posterior column acetabular fractures were allocated to one of four groups: 1) a reconstruction plate, 2) a reconstruction plate with a posterior column lag screw, 3) double reconstruction plates, and 4) a W-shaped acetabular angular plate...
2017: PloS One
https://www.readbyqxmd.com/read/29155715/indoor-experimental-assessment-of-the-efficiency-and-irradiance-spot-of-the-achromatic-doublet-on-glass-adg-fresnel-lens-for-concentrating-photovoltaics
#13
Guido Vallerotto, Marta Victoria, Stephen Askins, Ignacio Antón, Gabriel Sala, Rebeca Herrero, César Domínguez
We present a method to characterize achromatic Fresnel lenses for photovoltaic applications. The achromatic doublet on glass (ADG) Fresnel lens is composed of two materials, a plastic and an elastomer, whose dispersion characteristics (refractive index variation with wavelength) are different. We first designed the lens geometry and then used ray-tracing simulation, based on the Monte Carlo method, to analyze its performance from the point of view of both optical efficiency and the maximum attainable concentration...
October 27, 2017: Journal of Visualized Experiments: JoVE
https://www.readbyqxmd.com/read/29154253/45-sup-%C3%A2-sup-sign-switching-of-effective-exchange-bias-due-to-competing-anisotropies-in-fully-epitaxial-co-sub-3-sub-fen-mnn-bilayers
#14
Tetsuya Hajiri, Takuya Yoshida, Mariia Filianina, Samridh Jaiswal, Benjamin Borie, H Asano, Hartmut Zabel, Mathias Klaui
We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45$^\circ$ period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling...
November 20, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/29152785/ultrastructure-of-plasma-cells-in-harderian-gland-of-laying-hens
#15
P Bejdić, R Avdić, Lj Amidžić, V Ćutahija, F Tandir, N Hadžiomerović, A Katica, N Mlaćo
Ultrastructure of plasma cells in Harderian gland was investigated using the transmission electron microscopy. For this research, we examined the glands of 32 laying hens collected at 1, 7, 20 and 40 days and 4, 6, 8 and 12 months of the birds' ages. The research showed that the stroma of the gland contains a large number of lymphocytes and plasma cells. Most of the plasma cells are mature, but morphologically do not show productive activity. Only some individual plasma cells, situated under the secretory epithelium of primary and secondary ducts, have extremely dilated cisternae of rough endoplasmic reticulum which contain moderately dense, granular material...
November 19, 2017: Anatomia, Histologia, Embryologia
https://www.readbyqxmd.com/read/29152017/manipulating-mammalian-cell-morphologies-using-chemical-mechanical-polished-integrated-circuit-chips
#16
Hassan I Moussa, Megan Logan, Geoffrey C Siow, Darron L Phann, Zheng Rao, Marc G Aucoin, Ting Y Tsui
Tungsten chemical-mechanical polished integrated circuits were used to study the alignment and immobilization of mammalian (Vero) cells. These devices consist of blanket silicon oxide thin films embedded with micro- and nano-meter scale tungsten metal line structures on the surface. The final surfaces are extremely flat and smooth across the entire substrate, with a roughness in the order of nanometers. Vero cells were deposited on the surface and allowed to adhere. Microscopy examinations revealed that cells have a strong preference to adhere to tungsten over silicon oxide surfaces with up to 99% of cells adhering to the tungsten portion of the surface...
2017: Science and Technology of Advanced Materials
https://www.readbyqxmd.com/read/29151609/clues-to-nacn-formation
#17
G Quintana-Lacaci, J Cernicharo, L Velilla Prieto, M Agúndez, A Castro-Carrizo, J P Fonfría, S Massalkhi, J R Pardo
Context: ALMA is providing us essential information on where certain molecules form. Observing where these molecules emission arises from, the physical conditions of the gas, and how this relates with the presence of other species allows us to understand the formation of many species, and to significantly improve our knowledge of the chemistry that occurs in the space. Aims: We studied the molecular distribution of NaCN around IRC +10216, a molecule detected previously, but whose origin is not clear...
November 2017: Astronomy and Astrophysics
https://www.readbyqxmd.com/read/29151574/machine-learning-meets-complex-networks-via-coalescent-embedding-in-the-hyperbolic-space
#18
Alessandro Muscoloni, Josephine Maria Thomas, Sara Ciucci, Ginestra Bianconi, Carlo Vittorio Cannistraci
Physicists recently observed that realistic complex networks emerge as discrete samples from a continuous hyperbolic geometry enclosed in a circle: the radius represents the node centrality and the angular displacement between two nodes resembles their topological proximity. The hyperbolic circle aims to become a universal space of representation and analysis of many real networks. Yet, inferring the angular coordinates to map a real network back to its latent geometry remains a challenging inverse problem...
November 20, 2017: Nature Communications
https://www.readbyqxmd.com/read/29150622/evidence-of-quantum-phase-transition-in-real-space-vacuum-entanglement-of-higher-derivative-scalar-quantum-field-theories
#19
S Santhosh Kumar, S Shankaranarayanan
In a bipartite set-up, the vacuum state of a free Bosonic scalar field is entangled in real space and satisfies the area-law- entanglement entropy scales linearly with area of the boundary between the two partitions. In this work, we show that the area law is violated in two spatial dimensional model Hamiltonian having dynamical critical exponent z = 3. The model physically corresponds to next-to-next-to-next nearest neighbour coupling terms on a lattice. The result reported here is the first of its kind of violation of area law in Bosonic systems in higher dimensions and signals the evidence of a quantum phase transition...
November 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29146898/quantum-suppression-of-antihydrogen-formation-in-positronium-antiproton-scattering
#20
A S Kadyrov, I Bray, M Charlton, I I Fabrikant
The interaction of antiprotons with low-energy positronium atoms is a fundamental three-body problem whose significance is its utility for formation of antihydrogen. Particular importance resides in understanding processes involving excited positronium states. Until recently such studies were performed using classical techniques. However, they become inapplicable in the low-energy domain. Here we report the results of comprehensive quantum calculations, which include initial excited positronium states with principal quantum numbers up to n i = 5...
November 16, 2017: Nature Communications
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