Micro-scale truss structures with three-fold and six-fold symmetry formed from self-propagating polymer waveguides

Energy Technology Data Exchange (ETDEWEB)

Jacobsen, Alan J. [HRL Laboratories LLC, Sensors and Materials Laboratory, 3011 Malibu Canyon Road, Malibu, CA 90265-4797 (United States); Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles, CA (United States)], E-mail: ajjacobsen@hrl.com; Barvosa-Carter, William [HRL Laboratories LLC, Sensors and Materials Laboratory, 3011 Malibu Canyon Road, Malibu, CA 90265-4797 (United States); Nutt, Steven [Department of Chemical Engineering and Materials Science, University of Southern California, Los Angeles, CA (United States)

2008-06-15

A process for interconnecting a three-dimensional pattern of self-propagating polymer waveguides was used to form micro-truss structures with two new unit cell architectures. The structures were formed using a two-dimensional mask with a hexagonal pattern of apertures. Distinct unit cell architectures were possible by exposing the mask to a different number of incident UV exposure beams, which are used to form the waveguides. One unit cell design featured three intersecting waveguides per node, resulting in a structure with three-fold symmetry. The second unit cell design had six-fold symmetry and was characterized by primary nodes with six intersecting waveguides and secondary nodes with two intersecting waveguides. Compression loading experiments were conducted on micro-truss samples with comparable relative density values ({rho}/{rho}{sub s} = 6.5%), but different unit cell architectures. The addition of secondary nodes in the structures based on the second design led to an increase in compressive modulus of up to 70% and an average increase in peak strength of 42%. The increase in compressive strength and modulus was attributed to a reduction in the truss-member slenderness ratio achieved through increased waveguide connectivity.

Micro-scale truss structures with three-fold and six-fold symmetry formed from self-propagating polymer waveguides

International Nuclear Information System (INIS)

Jacobsen, Alan J.; Barvosa-Carter, William; Nutt, Steven

2008-01-01

A process for interconnecting a three-dimensional pattern of self-propagating polymer waveguides was used to form micro-truss structures with two new unit cell architectures. The structures were formed using a two-dimensional mask with a hexagonal pattern of apertures. Distinct unit cell architectures were possible by exposing the mask to a different number of incident UV exposure beams, which are used to form the waveguides. One unit cell design featured three intersecting waveguides per node, resulting in a structure with three-fold symmetry. The second unit cell design had six-fold symmetry and was characterized by primary nodes with six intersecting waveguides and secondary nodes with two intersecting waveguides. Compression loading experiments were conducted on micro-truss samples with comparable relative density values (ρ/ρ s = 6.5%), but different unit cell architectures. The addition of secondary nodes in the structures based on the second design led to an increase in compressive modulus of up to 70% and an average increase in peak strength of 42%. The increase in compressive strength and modulus was attributed to a reduction in the truss-member slenderness ratio achieved through increased waveguide connectivity

Self-assembly of nanosize coordination cages on si(100) surfaces.

Science.gov (United States)

Busi, Marco; Laurenti, Marco; Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Fragalà, Ignazio L; Montalti, Marco; Prodi, Luca; Dalcanale, Enrico

2007-01-01

Bottom-up fabrication of 3D organic nanostructures on Si(100) surfaces has been achieved by a two-step procedure. Tetradentate cavitand 1 was grafted on the Si surface together with 1-octene (Oct) as a spatial spectator by photochemical hydrosilylation. Ligand exchange between grafted cavitand 1 and self-assembled homocage 2, derived from cavitand 5 bearing a fluorescence marker, led to the formation of coordination cages on Si(100). Formation, quantification, and distribution of the nanoscale molecular containers on a silicon surface was assessed by using three complementary analytical techniques (AFM, XPS, and fluorescence) and validated by control experiments on cavitand-free silicon surfaces. Interestingly, the fluorescence of pyrene at approximately 4 nm above the Si(100) surface can be clearly observed.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

Science.gov (United States)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by

Dynamic enzyme docking to the ribosome coordinates N-terminal processing with polypeptide folding.

Science.gov (United States)

Sandikci, Arzu; Gloge, Felix; Martinez, Michael; Mayer, Matthias P; Wade, Rebecca; Bukau, Bernd; Kramer, Günter

2013-07-01

Newly synthesized polypeptides undergo various cotranslational maturation steps, including N-terminal enzymatic processing, chaperone-assisted folding and membrane targeting, but the spatial and temporal coordination of these steps is unclear. We show that Escherichia coli methionine aminopeptidase (MAP) associates with ribosomes through a charged loop that is crucial for nascent-chain processing and cell viability. MAP competes with peptide deformylase (PDF), the first enzyme to act on nascent chains, for binding sites at the ribosomal tunnel exit. PDF has extremely fast association and dissociation kinetics, which allows it to frequently sample ribosomes and ensure the processing of nascent chains after their emergence. Premature recruitment of the chaperone trigger factor, or polypeptide folding, negatively affect processing efficiency. Thus, the fast ribosome association kinetics of PDF and MAP are crucial for the temporal separation of nascent-chain processing from later maturation events, including chaperone recruitment and folding.

Correlation of Solid State and Solution Coordination Numbers with Infrared Spectroscopy in Five-, Six-, and Eight-Coordinate Transition Metal Complexes of DOTAM.

Science.gov (United States)

Nagata, Maika K C T; Brauchle, Paul S; Wang, Sen; Briggs, Sarah K; Hong, Young Soo; Laorenza, Daniel W; Lee, Andrea G; Westmoreland, T David

2016-08-16

Three new DOTAM (1,4,7,10-tetrakis(acetamido)-1,4,7,10-tetraazacyclododecane) complexes have been synthesized and characterized by X-ray crystallography: [Co(DOTAM)]Cl 2 •3H 2 O, [Ni(DOTAM)]Cl 2 •4H 2 O, and [Cu(DOTAM)](ClO 4 ) 2 •H 2 O. Solid state and solution IR spectroscopic features for a series of [M(DOTAM)] 2+ complexes (M=Mn, Co, Cu, Ni, Ca, Zn) correlate with solid state and solution coordination numbers. [Co(DOTAM)] 2+ , [Ni(DOTAM)] 2+ , and [Zn(DOTAM)] 2+ are demonstrated to be six-coordinate in both the solid state and in solution, while [Mn(DOTAM)] 2+ and [Ca(DOTAM)] 2+ are eight-coordinate in the solid state and remain so in solution. [Cu(DOTAM)] 2+ , which is five-coordinate by X-ray crystallography, is shown to increase its coordination number in solution to six-coordinate.

Er2S[SiO4]: An erbium sulfide ortho-oxosilicate with unusual sulfide anion coordination

International Nuclear Information System (INIS)

Hartenbach, Ingo; Lauxmann, Petra; Schleid, Thomas

2004-01-01

During the reaction of cadmium sulfide with erbium and sulfur in evacuated silica ampoules pink lath-shaped crystals of Er 2 S[SiO 4 ] occur as by-product which were characterized by X-ray single crystal structure analysis. The title compound crystallizes orthorhombically in the space group Cmce (a = 1070.02(8), b = 1235.48(9), c = 683.64(6) pm) with eight formula units per unit cell. Besides isolated ortho-oxosilicate units [SiO 4 ] 4- , the crystal structure contains two crystallographically independent Er 3+ cations which are both eightfold coordinated by six oxygen and two sulfur atoms. The sulfide anions are surrounded by four erbium cations each in the shape of very distorted tetrahedra. These excentric [SEr 4 ] 10+ tetrahedra build up layers according to 2 ∞ [SEr 4/2 ] 4+ by vertex- and edge-connection. They are piled parallel to (010) and separated by the isolated ortho-oxosilicate tetrahedra. (Abstract Copyright [2004], Wiley Periodicals, Inc.) [de

Sputtering Yields of Si and Ni from the Ni1-xSix System Studied by Rutherford Backscattering Spectrometry

Science.gov (United States)

Kim, Su Chol; Yamaguchi, Satoru; Kataoka, Yoshihide; Iwami, Motohiro; Hiraki, Akio; Satou, Mamoru; Fujimoto, Fuminori

1982-01-01

Sputtering yields of Si and Ni from thin layer films of Ni-Si compounds (Ni1-xSix), including the pure materials (Ni and Si), caused by 5 keV Ar+ ion bombardment were investigated using backscattering spectrometry. The sputtering yield for Si from Ni1-xSix increased with increasing Si concentration. However, there is an abrupt decrease in the yield for Si concentrations above NiSi2 to pure Si. This is in clear contrast to the sputtering yield of Ni from Ni1-xSix which increased with increasing Ni concentration monotonously. These results are discussed on the basis of both the difference in the atomic density and the electronic state of the alloy.

Coordination number constraint models for hydrogenated amorphous Si deposited by catalytic chemical vapour deposition

Science.gov (United States)

Kawahara, Toshio; Tabuchi, Norikazu; Arai, Takashi; Sato, Yoshikazu; Morimoto, Jun; Matsumura, Hideki

2005-02-01

We measured structure factors of hydrogenated amorphous Si by x-ray diffraction and analysed the obtained structures using a reverse Monte Carlo (RMC) technique. A small shoulder in the measured structure factor S(Q) was observed on the larger Q side of the first peak. The RMC results with an unconstrained model did not clearly show the small shoulder. Adding constraints for coordination numbers 2 and 3, the small shoulder was reproduced and the agreement with the experimental data became better. The ratio of the constrained coordination numbers was consistent with the ratio of Si-H and Si-H2 bonds which was estimated by the Fourier transformed infrared spectra of the same sample. This shoulder and the oscillation of the corresponding pair distribution function g(r) at large r seem to be related to the low randomness of cat-CVD deposited a-Si:H.

Coordination number constraint models for hydrogenated amorphous Si deposited by catalytic chemical vapour deposition

International Nuclear Information System (INIS)

Kawahara, Toshio; Tabuchi, Norikazu; Arai, Takashi; Sato, Yoshikazu; Morimoto, Jun; Matsumura, Hideki

2005-01-01

We measured structure factors of hydrogenated amorphous Si by x-ray diffraction and analysed the obtained structures using a reverse Monte Carlo (RMC) technique. A small shoulder in the measured structure factor S(Q) was observed on the larger Q side of the first peak. The RMC results with an unconstrained model did not clearly show the small shoulder. Adding constraints for coordination numbers 2 and 3, the small shoulder was reproduced and the agreement with the experimental data became better. The ratio of the constrained coordination numbers was consistent with the ratio of Si-H and Si-H 2 bonds which was estimated by the Fourier transformed infrared spectra of the same sample. This shoulder and the oscillation of the corresponding pair distribution function g(r) at large r seem to be related to the low randomness of cat-CVD deposited a-Si:H

Atomic structure and electronic properties of the SixSb100-x phase-change memory material

DEFF Research Database (Denmark)

Verma, Ashok K.; Modak, Paritosh; Svane, Axel

2011-01-01

The electronic and structural properties of SixSb100-x (x∼16) materials are investigated using first-principles molecular dynamics simulations. Crystalline-liquid-amorphous phase transitions are examined and remarkable changes in the local structure around the Si atoms are found. The average Si...... coordination number 6 (3 long + 3 short Si-Sb bonds) of the crystalline phase changes to 4 (3 long Si-Sb + 1 short Si-Si bonds) by preserving three Si-Sb bonds in both the liquid and the amorphous phases. In the amorphous phase ∼90% of the Si atoms are fourfold coordinated compared to 40% in the liquid....... The electronic density of states is metal-like in both the crystalline and the liquid phases, but it exhibits a pseudogap at the Fermi level in the amorphous phase, reflecting the strong abundance of fourfold coordinated Si in the amorphous phase....

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

International Nuclear Information System (INIS)

Aken, P.A. van; Sharp, T.G.; Seifert, F.

1998-01-01

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R∼0.172 nm and N∼5) to R∼0.167 nm and N∼4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of σ N 2 ∼83.8pm 2 as it changes from σ st 2 =51.8pm 2 for sixfold to σ qu 2 =18.4pm 2 for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of

Magnetic behavior of Si-Ge bond in SixGe4-x nano-clusters

Science.gov (United States)

Nahali, Masoud; Mehri, Ali

2018-06-01

The structure of SixGe4-x nano-clusters were optimized by MPW1B95 level of theory using MG3S and SDB-aug-cc-PVTZ basis set. The agreement of the calculated ionization and dissociation energies with experimental values validates the reported structures of nano-clusters and justifies the use of hybrid meta density functional method. Since the Si-Si bond is stronger than Si-Ge and Ge-Ge bonds, the Si-Si, Si-Ge, and Ge-Ge diagonal bonds determine the precedence of the stability in these nano-clusters. The hybrid meta density functional calculations were carried out to investigate the adsorption of CO on all possible SixGe4-x nano-clusters. It was found that the silicon atom generally makes a stronger bond with CO than germanium and thereby preferentially affects the shape of structures having higher multiplicity. In Si-Ge structures with higher spin more than 95% of spins accumulate on positions with less bonds to other atoms of the cluster. Through CO adsorption on these clusters bridge structures are made that behave as spin bridge which conduct the spin from the nano-cluster surface to the adsorbate atoms. A better understanding of bridged structures was achieved upon introducing the 'spin bridge' concept. Based on exhaustive spin density analysis, it was found that the reason for the extra negative charge on oxygen in the bridged structures is the relocation of spin from the surface through the bridge.

Hardness and Elastic Modulus on Six-Fold Symmetry Gold Nanoparticles

Science.gov (United States)

Ramos, Manuel; Ortiz-Jordan, Luis; Hurtado-Macias, Abel; Flores, Sergio; Elizalde-Galindo, José T.; Rocha, Carmen; Torres, Brenda; Zarei-Chaleshtori, Maryam; Chianelli, Russell R.

2013-01-01

The chemical synthesis of gold nanoparticles (NP) by using gold (III) chloride trihydrate (HAuCl∙3H2O) and sodium citrate as a reducing agent in aqueous conditions at 100 °C is presented here. Gold nanoparticles areformed by a galvanic replacement mechanism as described by Lee and Messiel. Morphology of gold-NP was analyzed by way of high-resolution transmission electron microscopy; results indicate a six-fold icosahedral symmetry with an average size distribution of 22 nm. In order to understand the mechanical behaviors, like hardness and elastic moduli, gold-NP were subjected to nanoindentation measurements—obtaining a hardness value of 1.72 GPa and elastic modulus of 100 GPa in a 3–5 nm of displacement at the nanoparticle’s surface. PMID:28809302

The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)3].

Science.gov (United States)

Plajer, Alex J; Colebatch, Annie L; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D; García-Rodríguez, Raúl; Wright, Dominic S

2018-05-22

Difficulties in the preparation of neutral ligands of the type [RSi(2-py)3] (where 2-py is an unfunctionalised 2-pyridyl ring unit) have thwarted efforts to expand the coordination chemistry of ligands of this type. However, simply switching the pyridyl substituents to 6-methyl-pyridyl groups (6-Me-2-py) in the current paper has allowed smooth, high-yielding access to the [PhSi(6-Me-2-py)3] ligand (1), and the first exploration of its coordination chemistry with transition metals. The synthesis, single-crystal X-ray structures and solution dynamics of the new complexes [{PhSi(6-Me-2-py)3}CuCH3CN][PF6], [{PhSi(6-Me-2-py)3}CuCH3CN][CuCl2], [{PhSi(6-Me-2-py)3}FeCl2], [{PhSi(6-Me-2-py)3}Mo(CO)3] and [{PhSi(6-Me-2-py)3}CoCl2] are reported. The paramagnetic Fe2+ and Co2+ complexes show strongly shifted NMR resonances for the coordinated pyridyl units due to large Fermi-contact shifts. However, magnetic anisotropy also leads to considerable pseudo-contact shifts so that both contributions have to be included in the paramagnetic NMR analysis.

Design and experimental investigations on six-stroke SI engine using acetylene with water injection.

Science.gov (United States)

Gupta, Keshav; Suthar, Kishanlal; Jain, Sheetal Kumar; Agarwal, Ghanshyam Das; Nayyar, Ashish

2018-06-02

In the present study, a four-stroke cycle gasoline engine is redesigned and converted into a six-stroke cycle engine and experimental study has been conducted using gasoline and acetylene as fuel with water injection at the end of the recompression stroke. Acetylene has been used as an alternative fuel along with gasoline and performance of the six-stroke spark ignition (SI) engine with these two fuels has been studied separately and compared. Brake power and thermal efficiency are found to be 5.18 and 1.55% higher with acetylene as compared to gasoline in the six-stroke engine. However, thermal efficiency is found to be 45% higher with acetylene in the six-stroke engine as compared to four-stroke SI engine. The CO and HC emissions were found to be reduced by 13.33 and 0.67% respectively with acetylene as compared to gasoline due to better combustion of acetylene. The NO x emission was reduced by 5.65% with acetylene due to lower peak temperature by water injection. The experimental results showed better engine performance and emissions with acetylene as fuel in the six-stroke engine.

Crystal chemistry of six-coordinated silicon: A key to understanding the earth's deep interior

International Nuclear Information System (INIS)

Finger, L.W.; Hazen, R.M.

1991-01-01

A survey of high-pressure silicates reveals 12 distinct high-density structural topologies with octahedral Si. Seven of these structure types - stishovite, perovskite, ilmenite, hollandite, calcium ferrite, pyrochlore and K 2 NiF 4 type - contain only six-corrdinated silicon. Other high-pressure silicates, including those with the garnet, pyroxene, wadeite, anhydrous phase B and phase B structures, contain both tetrahedral and octahedral Si. Five systematic trends among these dozen structures suggest the existence of other, as yet unobserved, possible mantle Si phases. The criteria are: (1) Structures like rutile, hollandite and calcium ferrite formed from edge-sharing chains of silicon octahedra; (2) germanates synthesized at room pressure with octahedral Ge; (3) isomorphs of room-pressure oxides with 3+ or 4+ transition-metal cations; (4) high-pressure magnesium silicates related to room-pressure aluminates by the substitution 2Al→Mg+Si; and (5) the homologous structures in system Mg-Si-O-H that includes phase B and anhydrous phase B. Each of these criteria can be used to predict other potential octahedral Si phases. Of special interest are predicted structure types that fulfill more than one criterion: Diaspore-type (MgSi)O 2 (OH) 2 , aerugite-type Mg 10 Si 3 O 16 , sphene-type CaSi 2 O 5 , benitoite-type BaSi 4 O 9 , gibbsite-type MgSi(OH) 6 and pseudobrookite-type Fe 2 SiO 5 . (orig.)

Coordination of respiration and swallowing: functional pattern and relevance of vocal folds closure

Directory of Open Access Journals (Sweden)

Milton Melciades Barbosa Costa

2010-03-01

Full Text Available CONTEXT: Breathing and swallowing coordination, despite the expressive number of study, remain as theme deserving further research. OBJECTIVE: To identify a coordination pattern between swallowing and the natural breathing pause that occur in association with it (swallowing apnea and also the relevance of the vocal folds closure in this process. METHODS: Sixty-six adults, male and female, including normal health people, post-laryngectomy individuals and patients with digestive complaints without dysphagia were analyzed. The respiratory air flux interruptions produced by wet requested swallows and dry, requested and spontaneous swallows, were registered using thermo and piezoelectric receptors coupled to synectics medical manometry equipment, using Polygram upper 4.21 software. The results were analyzed with the Chi-square (3×2 and (2×2 nonparametric independency test with P = 0.05. RESULTS: Swallowing apnea is a preventive breathing stop that start just before and stay present during all deglutition pharyngeal phase. It is a well coordinated phenomena that occur as pattern in association with low elastic resistance of the lung, on the expiratory final phase until inspiration initial phase. This breathing stoppage it is usually followed by a short expiraton preceding a new breathing cycle. The swallow apnea and vocal folds closure are both independents mechanisms. CONCLUSION: It is possible to suppose that in the subconscious condition, swallowing apnea is integrated under coordination of the same control mechanism that also involves the elastic resistance of the lung.CONTEXTO: Apesar do expressivo número de estudos sobre a coordenação da respiração com a deglutição, o tema permanece aberto à pesquisa. OBJETIVO: Identificar um padrão de coordenação entre a pausa respiratória e a deglutição que ocorre em associação a esta usual apneia (apneia de deglutição e estabelecer a importância do fechamento das pregas vocais que ocorre

Thermo-solutal growth of an anisotropic dendrite with six-fold symmetry

Science.gov (United States)

Alexandrov, D. V.; Galenko, P. K.

2018-03-01

A stable growth of dendritic crystal with the six-fold crystalline anisotropy is analyzed in a binary nonisothermal mixture. A selection criterion representing a relationship between the dendrite tip velocity and its tip diameter is derived on the basis of morphological stability analysis and solvability theory. A complete set of nonlinear equations, consisting of the selection criterion and undercooling balance condition, which determines implicit dependencies of the dendrite tip velocity and tip diameter as functions of the total undercooling, is formulated. Exact analytical solutions of these nonlinear equations are found in a parametric form. Asymptotic solutions describing the crystal growth at small Péclet numbers are determined. Theoretical predictions are compared with experimental data obtained for ice dendrites growing in binary water-ethylenglycol solutions as well as in pure water.

Structure-topology-property correlations of sodium phosphosilicate glasses.

Science.gov (United States)

Hermansen, Christian; Guo, Xiaoju; Youngman, Randall E; Mauro, John C; Smedskjaer, Morten M; Yue, Yuanzheng

2015-08-14

In this work, we investigate the correlations among structure, topology, and properties in a series of sodium phosphosilicate glasses with [SiO2]/[SiO2 + P2O5] ranging from 0 to 1. The network structure is characterized by (29)Si and (31)P magic-angle spinning nuclear magnetic resonance and Raman spectroscopy. The results show the formation of six-fold coordinated silicon species in phosphorous-rich glasses. Based on the structural data, we propose a formation mechanism of the six-fold coordinated silicon, which is used to develop a quantitative structural model for predicting the speciation of the network forming units as a function of chemical composition. The structural model is then used to establish a temperature-dependent constraint description of phosphosilicate glass topology that enables prediction of glass transition temperature, liquid fragility, and indentation hardness. The topological constraint model provides insight into structural origin of the mixed network former effect in phosphosilicate glasses.

ZnO epitaxy on SiC(0001-bar) substrate: Comparison with ZnO/SiC(0 0 0 1) heterostructure

International Nuclear Information System (INIS)

Ashrafi, Almamun; Aminuzzaman, Mohammod

2011-01-01

ZnO thin layers deposited on 6H-SiC substrates showed six-fold crystal symmetry with an epitaxial relationship of (0 0 0 2) ZnO ||(0 0 0 6) SiC and [112-bar 0] ZnO ||[112-bar 0] SiC . Despite the different 6H-SiC substrate surface orientations for the ZnO epitaxy, the orientation relationship of ZnO/6H-SiC heterostructures is identical, as confirmed by X-ray diffraction studies. In these ZnO/6H-SiC(0 0 0 1) and ZnO/6H-SiC(0001-bar) heterostructures, the valence band offsets are measured to be 1.12 eV and 1.09 eV, leading to the conduction band offset values of 0.75 eV and 0.72 eV, respectively. These slightly different band-offset values in ZnO/6H-SiC heterojunctions are attributed to the variation of valence band maximums and the different interface charge compensation mechanisms.

Effects of synchrotron x-rays on PVD deposited and ion implanted α-Si

International Nuclear Information System (INIS)

Yu, K.M.; Wang, L.; Walukiewicz, W.; Muto, S.; McCormick, S.; Abelson, J.R.

1997-01-01

The authors have studied the effects of intense X-ray irradiation on the structure of amorphous Si films. The films were obtained by either physical vapor deposition or by implantation of high energy ions into crystalline Si. They were exposed to different total doses of synchrotron X-rays. From the EXAFS and EXELFS measurements they find that an exposure to X-rays increases the Si coordination number. Also in the PVD films a prolonged X-ray exposure enlarges, by about 2%, the Si-Si bond length. Raman spectroscopy shows that Si amorphized with high energy ions contains small residual amounts of crystalline material. Irradiation of such films with X-rays annihilates those crystallites resulting in homogeneously amorphous layer with a close to four-fold coordination of Si atoms. This rearrangement of the local structure has a pronounced effect on the crystallization process of the amorphous films. Thermal annealing of X-ray irradiated ion amorphized films leads to nearly defect free solid phase epitaxy at 500 C. Also they observe a delay in the onset of the crystallization process in X-ray irradiated PVD films. They associate this with a reduced concentration of nucleation centers in the x-ray treated materials

ZnO epitaxy on SiC(0001-bar) substrate: Comparison with ZnO/SiC(0 0 0 1) heterostructure

Energy Technology Data Exchange (ETDEWEB)

Ashrafi, Almamun, E-mail: ash2phy@gmail.com [Department of Physics, University of Vermont, VT 05405 (United States); Aminuzzaman, Mohammod [Department of Chemical Science, Universiti Tunku Abdul Rahman, Perak (Malaysia)

2011-05-01

ZnO thin layers deposited on 6H-SiC substrates showed six-fold crystal symmetry with an epitaxial relationship of (0 0 0 2){sub ZnO}||(0 0 0 6){sub SiC} and [112-bar 0]{sub ZnO}||[112-bar 0]{sub SiC}. Despite the different 6H-SiC substrate surface orientations for the ZnO epitaxy, the orientation relationship of ZnO/6H-SiC heterostructures is identical, as confirmed by X-ray diffraction studies. In these ZnO/6H-SiC(0 0 0 1) and ZnO/6H-SiC(0001-bar) heterostructures, the valence band offsets are measured to be 1.12 eV and 1.09 eV, leading to the conduction band offset values of 0.75 eV and 0.72 eV, respectively. These slightly different band-offset values in ZnO/6H-SiC heterojunctions are attributed to the variation of valence band maximums and the different interface charge compensation mechanisms.

Four-branched compounds coupled Si and iron-rich intermetallics in near eutectic Al-Si alloys

International Nuclear Information System (INIS)

Wu, Yuying; Liu, Xiangfa; Jiang, Binggang; Bian, Xiufang

2007-01-01

Many four-branched compounds coupled Si and iron-rich intermetallics were observed in near eutectic Al-Si alloy modified with Al-P master alloy. Such four-branched compounds have never been reported before, but in our case it seems to be commonly observed. In this work the growth characterization of the four-branched compounds are scrutinized with a JXA-8800 electron microprobe (EPMA). More deep study of the formation of four-branched compounds is performed by SEM and TEM analysis. The characterization of the four-branched compounds is that of a primary silicon in the center with four iron-rich intermetallics around. Experimental results also show that the precipitation of primary silicon is the key factor for the formation of four-branched compounds. And WHS-theory explains the growth mechanism of the four-branched compounds. In detail, subsequent twinning within the primary silicon provides four-fold coordination sites on the surface, and then the α-Al(Fe,Mn)-Si phase nucleates on the surface of the primary silicon

Temperature dependence of magnetic anisotropies in ultrathin Fe film on vicinal Si(111)

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yong-Sheng; He, Wei; Ye, Jun; Hu, Bo; Tang, Jin; Zhang, Xiang-Qun [State Key Laboratory of Magnetism and Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Cheng, Zhao-Hua, E-mail: zhcheng@aphy.iphy.ac.cn [State Key Laboratory of Magnetism and Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100190 (China)

2017-05-01

The temperature dependence of magnetic anisotropy of ultrathin Fe film with different thickness epitaxially grown on vicinal Si(111) substrate has been quantitatively investigated using the anisotropic magnetoresistance(AMR) measurements. Due to the effect of the vicinal substrate, the magnetic anisotropy is the superposition of a four-fold, a two-fold and a weakly six-fold contribution. It is found that the temperature dependence of the first-order magnetocrystalline anisotropies coefficient follows power laws of the reduced magnetization m(T)(=M(T)/M(0)) being consistent with the Callen and Callen's theory. However the temperature dependence of uniaxial magnetic anisotropy (UMA) shows novel behavior that decreases roughly as a function of temperature with different power law for samples with different thickness. We also found that the six-fold magnetocrystalline anisotropy is almost invariable over a wide temperature range. Possible mechanisms leading to the different exponents are discussed.

Cysteine Addition Promotes Sulfide Production and 4-Fold Hg(II)-S Coordination in Actively Metabolizing Escherichia coli.

Science.gov (United States)

Thomas, Sara A; Gaillard, Jean-François

2017-04-18

The bacterial uptake of mercury(II), Hg(II), is believed to be energy-dependent and is enhanced by cysteine in diverse species of bacteria under aerobic and anaerobic conditions. To gain insight into this Hg(II) biouptake pathway, we have employed X-ray absorption spectroscopy (XAS) to investigate the relationship between exogenous cysteine, cellular metabolism, cellular localization, and Hg(II) coordination in aerobically respiring Escherichia coli (E. coli). We show that cells harvested in exponential growth phase consistently display mixtures of 2-fold and 4-fold Hg(II) coordination to sulfur (Hg-S 2 and Hg-S 4 ), with added cysteine enhancing Hg-S 4 formation. In contrast, cells in stationary growth phase or cells treated with a protonophore causing a decrease in cellular ATP predominantly contain Hg-S 2 , regardless of cysteine addition. Our XAS results favor metacinnabar (β-HgS) as the Hg-S 4 species, which we show is associated with both the cell envelope and cytoplasm. Additionally, we observe that added cysteine abiotically oxidizes to cystine and exponentially growing E. coli degrade high cysteine concentrations (100-1000 μM) into sulfide. Thermodynamic calculations confirm that cysteine-induced sulfide biosynthesis can promote the formation of dissolved and particulate Hg(II)-sulfide species. This report reveals new complexities arising in Hg(II) bioassays with cysteine and emphasizes the need for considering changes in chemical speciation as well as growth stage.

Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

Science.gov (United States)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.

Interface structure and stabilization of metastable B2-FeSi/Si(111) studied with low-energy electron diffraction and density functional theory

International Nuclear Information System (INIS)

Walter, S; Blobner, F; Krause, M; Mueller, S; Heinz, K; Starke, U

2003-01-01

We present a combined experimental and theoretical investigation of the interface between a B2-type FeSi film and Si(111). Using an ultra-thin B2-FeSi film grown on Si(111), the interface is still reached by electrons, so quantitative low-energy electron diffraction (LEED) could be applied to determine the bonding geometry experimentally. As a result, the local configuration at the shallow buried interface is characterized by near-substrate Fe atoms being 8-fold coordinated to Si atoms and by the silicide unit cell being rotated by 180 deg. with respect to the Si unit cell (B8 configuration). The interface energetics were explored by total-energy calculations using density functional theory (DFT). The B8-type interface proves to be the most stable one, consistent with the experimental findings. The atomic geometries obtained experimentally (LEED) and theoretically (DFT) agree within the limits of errors. Additionally, the calculations explain the stabilization of the B2 phase, which is unstable as bulk material: the analysis of the elastic behaviour reveals a reversed energy hierarchy of B2 and the bulk stable B20 phase when epitaxial growth on Si(111) is enforced

Deployment of lean six sigma in care coordination: an improved discharge process.

Science.gov (United States)

Breslin, Susan Ellen; Hamilton, Karen Marie; Paynter, Jacquelyn

2014-01-01

This article presents a quality improvement project to reduce readmissions in the Medicare population related to heart failure, acute myocardial infarction, and pneumonia. The article describes a systematic approach to the discharge process aimed at improving transitions of care from hospital to post-acute care, utilizing Lean Six Sigma methodology. Inpatient acute care hospital. A coordinated discharge process, which includes postdischarge follow-up, can reduce avoidable readmissions. Implications for The quality improvement project demonstrated the significant role case management plays in preventing costly readmissions and improving outcomes for patients through better transitions of care from the hospital to the community. By utilizing Lean Six Sigma methodology, hospitals can focus on eliminating waste in their current processes and build more sustainable improvements to deliver a safe, quality, discharge process for their patients. Case managers are leading this effort to improve care transitions and assure a smoother transition into the community postdischarge..

Extreme IR absorption in group IV-SiGeSn core-shell nanowires

Science.gov (United States)

Attiaoui, Anis; Wirth, Stephan; Blanchard-Dionne, André-Pierre; Meunier, Michel; Hartmann, J. M.; Buca, Dan; Moutanabbir, Oussama

2018-06-01

Sn-containing Si and Ge (Ge1-y-xSixSny) alloys are an emerging family of semiconductors with the potential to impact group IV material-based devices. These semiconductors provide the ability to independently engineer both the lattice parameter and bandgap, which holds the premise to develop enhanced or novel photonic and electronic devices. With this perspective, we present detailed investigations of the influence of Ge1-y-xSixSny layers on the optical properties of Si and Ge based heterostructures and nanowires. We found that by adding a thin Ge1-y-xSixSny capping layer on Si or Ge greatly enhances light absorption especially in the near infrared range, leading to an increase in short-circuit current density. For the Ge1-y-xSixSny structure at thicknesses below 30 nm, a 14-fold increase in the short-circuit current is observed with respect to bare Si. This enhancement decreases by reducing the capping layer thickness. Conversely, decreasing the shell thickness was found to improve the short-circuit current in Si/Ge1-y-xSixSny and Ge/Ge1-y-xSixSny core/shell nanowires. The optical absorption becomes very important by increasing the Sn content. Moreover, by exploiting an optical antenna effect, these nanowires show extreme light absorption, reaching an enhancement factor, with respect to Si or Ge nanowires, on the order of 104 in Si/Ge0.84Si0.04Sn0.12 and 12 in Ge/Ge0.84Si0.04Sn0.12. Furthermore, we analyzed the optical response after the addition of a dielectric layer of Si3N4 to the Si/Ge1-y-xSixSny core-shell nanowire and found approximatively a 50% increase in the short-circuit current density for a dielectric layer of thickness equal to 45 nm and both a core radius and a shell thickness greater than 40 nm. The core-shell optical antenna benefits from a multiplication of enhancements contributed by leaky mode resonances in the semiconductor part and antireflection effects in the dielectric part.

Reaction of ReH sub 7 (PPh sub 3 ) sub 2 with silanes: Preparation and characterization of the first silyl polyhydride complexes, ReH sub 6 (SiR sub 3 )(PPh sub 3 ) sub 2 (SiR sub 3 = SiPh sub 3 , SiEt sub 3 , SiHEt sub 2 )

Energy Technology Data Exchange (ETDEWEB)

Luo, Xiaoliang; Baudry, D.; Boydell, P.; Charpin, P.; Nierlich, M.; Ephritikhine, M.; Crabtree, R.H. (Yale Univ., New Haven, CT (USA) CEA-CEN Saclay, Gif-sur-Yvette (France))

1990-04-18

Reaction of silanes with ReH{sub 7}(PPh{sub 3}){sub 2} (1) gives the novel rhenium silyl hexahydride complexes ReH{sub 6}(SiR{sub 3})(PPh{sub 3}){sub 2} (SiR{sub 3} = SiPh{sub 3} (2a), SiEt{sub 3} (2b), SiHEt{sub 2} (2c)), which have been fully characterized by IR and {sup 1}H, {sup 31}P, and {sup 13}C NMR spectroscopy and, in the case of 2a, by single-crystal x-ray crystallography. The spectroscopic and x-ray diffraction data suggest that 2a-c probably have a classical nine-coordinate tricapped trigonal-prismatic structure with the two phosphine ligands and the silyl group occupying the three equatorial sites and the six hydride ligands occupying the six axial positions. 2a has been obtained in two crystalline forms, one solvated (CH{sub 2}Cl{sub 2}) and the other unsolvated, and structures were determined on both. The crystal structures of crystals of unsolvated 2a and 2a {times} CH{sub 2} Cl{sub 2} are reported. The Re-Si bond lengths, 2.474 (4) {angstrom} (2a) and 2.475 (4) {angstrom} (2a {times} CH{sub 2}Cl{sub 2}), are shorter than the sum of the covalent radii of the Re and Si atoms (2.65 {angstrom}), which is unusual for a transition-metal silyl complex with a formal d{sup 0} configuration. 35 refs., 2 figs., 4 tabs.

Catalytic effect in opening the coordination sphere of an organo-f-complex

International Nuclear Information System (INIS)

Andrea, T.; Wang, J.; Gourevich, I.; Eisen, M.S.

2002-01-01

Organo-f-complexes have been studied in the last decade showing unique stoichiometric and catalytic properties, which are deeply influenced by the nature of the x ancillary ligands. Opening of the metal center coordination sphere is obtained by replacing the pentamethylcyclopentadienyl ligation in Cp* 2 MR 2 (Cp* = C 5 Me 5 , M = f-element metal, R = a-bonded ligand) by the bridged ancillary ligation Anna-Me 2 SiCp 2MR 2 (Cp* = C 5 Me 4 ). For organolanthanides, this change allows an increase (10-100 fold) in rates for the olefin insertion into the M-R bond [1] and in organoactinides; this modification has been shown to cause an increase (103 fold) in their catalytic activity for the hydrogenation of 1-hexene [2]. Recently, we have shown that organoactinides of the type Cp* 2 MR 2 (Cp* = C 5 Me 5 ; M = Th, U; R = CH 3 ) are active catalysts for both the oligomerization and hydrosilylation of terminal alkynes [3J. Thus, a conceptual question arises regarding the use of an open organoactinide such as Me 2 SiCp* 2 U n Bu 2 as compared to Cp* 2 UR 2 . This opening in the coordination sphere at the metal center should be unique in such a way that it is reasonable expected the increase of the reactivity towards product formation in the hydrosilylation and metathesis catalytic processes of terminal alkynes. In this poster we report, and quantitatively compare, the effects of the ansa-organouranium complex (Me 2 SiCp'' 2 U n Bu) 2 O The synthesis of the complex was achieved as described in equations 1 and 2

Actinide-carbon bonds: insertion reactions of carbon monoxide, tert-butyl isocyanide, and tert-butyl cyanide into [(Me3Si)2N]2MCH2Si(Me)2NSiMe3

International Nuclear Information System (INIS)

Simpson, S.J.; Andersen, R.A.

1981-01-01

The thorium or uranium metallacycles [(Me 2 Si) 2 N] 2 MCH 2 Si(Me) 2 NSiMe 3 (I) react with tert-butyl cyanide to give the six-membered ring compounds [(Me 3 Si) 2 N] 2 MN = C(t-Bu)CH 2 Si(Me) 2 NSiMe 3 . The metallacycles (I) also react with the isoelectronic molecules tert-butyl isocyanide and carbon monoxide to give the unique five-membered ring compounds with exocyclic carbon-carbon double bonds, [(Me 3 Si) 2 N] 2 MXC(=CH 2 )Si(Me) 2 NSiMe 3 , where X is t-BuN or oxygen. The four-membered ring metallacycles (I) give simple coordination complexes of the type [(Me 3 Si) 2 N] 2 MCH 2 Si-(Me) 2 NSiMe 3 (N 3 SiMe 3 ) with trimethylsilyl azide

Raman and optical absorption spectroscopic investigation of Yb-Er codoped phosphate glasses containing SiO2

Institute of Scientific and Technical Information of China (English)

Youkuo Chen; Lei Wen; Lili Hu; Wei Chen; Y. Guyot; G. Boulon

2009-01-01

Yb-Er codoped Na2O-Al2O3-P2Os-xSiO2 glasses containing 0 鈥? 20 mol% SiO2 were prepared successfully. The addition of SiO2 to the phosphate glass not only lengthens the bond between P5+ and non-bridging oxygen but also reduces the number of P=O bond. In contrast with silicate glass in which there is only four-fold coordinated Si4+, most probably there coexist [SiO4] tetrahedron and [SiO6] octahedron in our glasses. Within the range of 0 鈥? 20 mol% SiO2 addition, the stimulated emission cross-section of Er3+ ion only decreases no more than 10%. The Judd-Ofelt intensity parameters of Er3+, 惟.2 does not change greatly, but 惟74 and 惟6 decrease obviously with increasing SiO2 addition, because the bond between Er + and O2- is more strongly covalently bonded.

A molecular dynamics study of the atomic structure of (CaO)x(SiO2)1-x glasses.

Science.gov (United States)

Mead, Robert N; Mountjoy, Gavin

2006-07-27

The local atomic environment of Ca in (CaO)x(SiO2)1-x glasses is of interest because of the role of Ca in soda-lime glass, the application of calcium silicate glasses as biomaterials, and the previous experimental measurement of the Ca-Ca correlation in CaSiO(3) glass. Molecular dynamics has been used to obtain models of (CaO)x(SiO2)1-x glasses with x = 0, 0.1, 0.2, 0.3, 0.4, and 0.5, and with approximately 1000 atoms and size approximately 25 A. As expected, the models contain a tetrahedral silica network, the connectivity of which decreases as x increases. In the glass-forming region, i.e., x = 0.4 and 0.5, Ca has a mixture of 6- and 7-fold coordination. Bridging oxygen makes an important contribution to the coordination of Ca, with most bridging oxygens coordinated to 2 Si plus 1 Ca. The x = 0.5 model is in reasonable agreement with previous experimental studies, and does not substantiate the previous theory of cation ordering, which predicted Ca arranged in sheets. In the phase-separated region, i.e., x = 0.1 and 0.2, there is marked clustering of Ca.

Six2 Is a Coordinator of LiCl-Induced Cell Proliferation and Apoptosis

Directory of Open Access Journals (Sweden)

Jianing Liu

2016-09-01

Full Text Available The metanephric mesenchyme (MM cells are a subset of kidney progenitor cells and play an essential role in mesenchymal-epithelial transition (MET, the key step of nephron generation. Six2, a biological marker related to Wnt signaling pathway, promotes the proliferation, inhibits the apoptosis and maintains the un-differentiation of MM cells. Besides, LiCl is an activator of Wnt signaling pathway. However, the role of LiCl in cellular regulation of MM cells remains unclear, and the relationship between LiCl and Six2 in this process is also little known. Here, we performed EdU assay and flow cytometry assay to, respectively, detect the proliferation and apoptosis of MM cells treated with LiCl of increasing dosages. In addition, reverse transcription-PCR (RT-PCR and Western-blot were conducted to measure the expression of Six2 and some maker genes of Wnt and bone-morphogenetic-protein (BMP signaling pathway. Furthermore, luciferase assay was also carried out to detect the transcriptional regulation of Six2. Then we found LiCl promoted MM cell proliferation at low-concentration (10, 20, 30, and 40 mM. The expression of Six2 was dose-dependently increased in low-concentration (10, 20, 30, and 40 mM at both mRNA and protein level. In addition, both of cell proliferation and Six2 expression in MM cells declined when dosage reached high-concentration (50 mM. However, Six2 knock-down converted the proliferation reduction at 50 mM. Furthermore, Six2 deficiency increased the apoptosis of MM cells, compared with negative control cells at relative LiCl concentration. However, the abnormal rise of apoptosis at 30 mM of LiCl concentration implies that it might be the reduction of GSK3β that increased cell apoptosis. Together, these demonstrate that LiCl can induce the proliferation and apoptosis of MM cells coordinating with Six2.

Local atomic structure and chemical order in amorphous SiGe:H and SiC:H alloys

International Nuclear Information System (INIS)

Pisarkiewicz, T.; Stapinski, T.

1994-01-01

The local structure and chemical ordering in amorphous hydrogenated silicon-germanium and silicon-carbon alloys were analyzed mainly with the help of extended x-ray absorption fine structure (EXAFS) spectroscopy, Raman scattering and electron diffraction. Ge-Ge and Ge-Si distances were found to be independent of concentration and the composition of the first coordination shell around Ge is consistent with a random mixing of the two species in a-Si 1-x Ge:H alloy. The first-coordination-shell average bond lengths for Si-Si and SiC in a-Si 1-x C x :H are also constant with concentration x and the comparison of the first coordination shell composition around Si with average concentration indicates that the alloys tends to be chemically ordered. The degree of crystallinity in microcrystalline Si films determined by EXAFS is in agreement with that obtained in Raman scattering analysis. (author). 16 refs, 5 figs

Luminescence enhancement of (Sr1-x Mx )2 SiO4 :Eu2+ phosphors with M (Ca2+ /Zn2+ ) partial substitution for white light-emitting diodes.

Science.gov (United States)

Wang, Yulong; Zhang, Wentao; Gao, Yang; Long, Jianping; Li, Junfeng

2017-02-01

Eu 2 + -doped Sr 2 SiO 4 phosphor with Ca 2 + /Zn 2 + substitution, (Sr 1-x M x ) 2 SiO 4 :Eu 2 + (M = Ca, Zn), was prepared using a high-temperature solid-state reaction method. The structure and luminescence properties of Ca 2 + /Zn 2 + partially substituted Sr 2 SiO 4 :Eu 2 + phosphors were investigated in detail. With Ca 2 + or Zn 2 + added to the silicate host, the crystal phase could be transformed between the α-form and the β-form of the Sr 2 SiO 4 structure. Under UV excitation at 367 nm, all samples exhibit a broad band emission from 420 to 680 nm due to the 4f 6 5d 1  → 4f 7 transition of Eu 2 + ions. The broad emission band consists of two peaks at 482 and 547 nm, which correspond to Eu 2 + ions occupying the ten-fold oxygen-coordinated Sr.(I) site and the nine-fold oxygen-coordinated Sr.(II) site, respectively. The luminescence properties, including the intensity and lifetime of Sr 2 SiO 4 :Eu 2 + phosphors, improved remarkably on Ca 2 + /Zn 2 + addition, and promote its application in white light-emitting diodes. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Synthesis and characterization of five-coordinated indium amidinates

Energy Technology Data Exchange (ETDEWEB)

Riahi, Yasaman

2016-07-29

The focus of this work is synthesis, characterization and exploring the reactivity of new indium amidinate compounds of the type R{sub 2}InX (R = R''NCR'NR''; R' = Ph, R'' = SiMe{sub 3}, iPr, dipp; X = Br, Cl) with the coordination number of five and R{sub 3}In (R = Me{sub 3}SiNCPhNSiMe{sub 3}) with the coordination number of six. By using amidinates as chelating ligands the electron deficiency of indium atom will be resolved. Additionally, by using different substituents the study of the different synthesized indium amidinates has become possible. The selected method for the synthesis allows the carbodiimides to react with organolithium compounds to get the corresponding lithium amidinates. Afterwards the resulting lithium amidinates take part in transmetalation reactions with InBr{sub 3} and InCl{sub 3}. The study of the reactivity of indium amidinate complexes including nucleophilic reactions as well as their reduction were also examined. Beside crystal structure analysis, nuclear magnetic resonance spectroscopy as well as elemental analysis has been applied to characterize the compounds.

The Effects of Annealing Temperatures on Composition and Strain in SixGe1−x Obtained by Melting Growth of Electrodeposited Ge on Si (100)

Science.gov (United States)

Abidin, Mastura Shafinaz Zainal; Morshed, Tahsin; Chikita, Hironori; Kinoshita, Yuki; Muta, Shunpei; Anisuzzaman, Mohammad; Park, Jong-Hyeok; Matsumura, Ryo; Mahmood, Mohamad Rusop; Sadoh, Taizoh; Hashim, Abdul Manaf

2014-01-01

The effects of annealing temperatures on composition and strain in SixGe1−x, obtained by rapid melting growth of electrodeposited Ge on Si (100) substrate were investigated. Here, a rapid melting process was performed at temperatures of 1000, 1050 and 1100°C for 1 s. All annealed samples show single crystalline structure in (100) orientation. A significant appearance of Si-Ge vibration mode peak at ~00 cm−1 confirms the existence of Si-Ge intermixing due to out-diffusion of Si into Ge region. On a rapid melting process, Ge melts and reaches the thermal equilibrium in short time. Si at Ge/Si interface begins to dissolve once in contact with the molten Ge to produce Si-Ge intermixing. The Si fraction in Si-Ge intermixing was calculated by taking into account the intensity ratio of Ge-Ge and Si-Ge vibration mode peaks and was found to increase with the annealing temperatures. It is found that the strain turns from tensile to compressive as the annealing temperature increases. The Si fraction dependent thermal expansion coefficient of SixGe1−x is a possible cause to generate such strain behavior. The understanding of compositional and strain characteristics is important in Ge/Si heterostructure as these properties seem to give significant effects in device performance. PMID:28788521

The Effects of Annealing Temperatures on Composition and Strain in SixGe1−x Obtained by Melting Growth of Electrodeposited Ge on Si (100

Directory of Open Access Journals (Sweden)

Mastura Shafinaz Zainal Abidin

2014-02-01

Full Text Available The effects of annealing temperatures on composition and strain in SixGe1−x, obtained by rapid melting growth of electrodeposited Ge on Si (100 substrate were investigated. Here, a rapid melting process was performed at temperatures of 1000, 1050 and 1100 °C for 1 s. All annealed samples show single crystalline structure in (100 orientation. A significant appearance of Si-Ge vibration mode peak at ~400 cm−1 confirms the existence of Si-Ge intermixing due to out-diffusion of Si into Ge region. On a rapid melting process, Ge melts and reaches the thermal equilibrium in short time. Si at Ge/Si interface begins to dissolve once in contact with the molten Ge to produce Si-Ge intermixing. The Si fraction in Si-Ge intermixing was calculated by taking into account the intensity ratio of Ge-Ge and Si-Ge vibration mode peaks and was found to increase with the annealing temperatures. It is found that the strain turns from tensile to compressive as the annealing temperature increases. The Si fraction dependent thermal expansion coefficient of SixGe1−x is a possible cause to generate such strain behavior. The understanding of compositional and strain characteristics is important in Ge/Si heterostructure as these properties seem to give significant effects in device performance.

The efficacy of Le Bon Départ and Sensory Integration treatment for children with developmental coordination disorder: a randomized study with six single cases.

NARCIS (Netherlands)

Leemrijse, C.; Meijer, O.G.; Vermeer, A.; Ader, H.J.; Diemel, S.

2000-01-01

Objective: evaluation of the efficacy of Le Bon Départ (LBD) treatment and Sensory Integration (SI) treatment on motor performance on children with developmental coordination disorder. Design: a single subject design with multiple baseline and alternating treatments. Order of treatment and lenght of

Sequential growth in solution of NiFe Prussian blue coordination network nano-layers on Si(100) surfaces

International Nuclear Information System (INIS)

Tricard, Simon; Costa-Coquelard, Claire; Volatron, Florence; Fleury, Benoit; Huc, Vincent; Mallah, Talal; Albouy, Pierre-Antoine; David, Christophe; Miserque, Frederic; Jegou, Pascale; Palacin, Serge

2012-01-01

Controlling the elaboration of Coordination Networks (CoNet) on surfaces at the nano-scale remains a challenge. One suitable technique is the Sequential Growth in Solution (SGS), which has the advantage to be simple, cheap and fast. We addressed two issues in this article: i) the controlled synthesis of ultra thin films of CoNet (thickness lower than 10 nm), and ii) the investigation of the influence of the precursors' concentration on the growth process. Si(100) was used because it is possible to prepare atomically flat Si-H surfaces, which is necessary for the growth of ultrathin films. We used, as a model system, the sequential reactions of K 4 [Fe(II)(CN) 6 ] and [Ni(II)(H 2 O) 6 ]Cl 2 that occur by the substitution of the water molecules in the coordination sphere of Ni(II) by the nitrogen atoms of ferrocyanide. We demonstrated that the nature of the deposited film depends mainly on the relative concentration of the anchoring sites versus the precursors' solution. Attenuated Total Reflection Fourier Transformed Infra Red (ATR-FTIR), X-ray reflectivity, X-ray Photoelectron Spectroscopy (XPS) and Atomic Force Microscopy (AFM) were used to characterize the steps of the growth process. (authors)

Type II band alignment in Ge1-x-ySixSny/Ge1-α-βSiαSnβ heterojunctions

Science.gov (United States)

Dey, Swagata; Mukhopadhyay, Bratati; Sen, Gopa; Basu, P. K.

2018-02-01

We have examined type II band alignment in Ge1-x-ySixSny/Ge1-α-βSiαSβ heterojunctions grown on virtual substrates in Si platform. It is found that, for different values of x, y, α and β, direct band gap type II band line up can be achieved for both tensile and compressive strains. The calculated band gap energy corresponds to the mid infrared to far infrared regions in the electromagnetic spectrum.

Microstructure of buried CoSi2 layers formed by high-dose Co implantation into (100) and (111) Si substrates

International Nuclear Information System (INIS)

Bulle-Lieuwma, C.W.T.; Van Ommen, A.H.; Vandenhoudt, D.E.W.; Ottenheim, J.J.M.; de Jong, A.F.

1991-01-01

Heteroepitaxial Si/CoSi 2 /Si structures have been synthesized by implanting 170-keV Co + with doses in the range 1--3x10 17 Co + ions/cm 2 into (100) and (111) Si substrates and subsequent annealing. The microstructure of both the as-implanted and annealed structures is investigated in great detail by transmission electron microscopy, high-resolution electron microscopy, and x-ray diffraction. In the as-implanted samples, the Co is present as CoSi 2 precipitates, occurring both in aligned (A-type) and twinned (B-type) orientation. For the highest dose, a continuous layer of stoichiometric CoSi 2 is already formed during implantation. It is found that the formation of a connected layer, already during implantation, is crucial for the formation of a buried CoSi 2 layer upon subsequent annealing. Particular attention is given to the coordination of the interfacial Co atoms at the Si/CoSi 2 (111) interfaces of both types of precipitates. We find that the interfacial Co atoms at the A-type interfaces are fully sevenfold coordinated, whereas at the B-type interfaces they appear to be eightfold coordinated

Growing GaN LEDs on amorphous SiC buffer with variable C/Si compositions

Science.gov (United States)

Cheng, Chih-Hsien; Tzou, An-Jye; Chang, Jung-Hung; Chi, Yu-Chieh; Lin, Yung-Hsiang; Shih, Min-Hsiung; Lee, Chao-Kuei; Wu, Chih-I; Kuo, Hao-Chung; Chang, Chun-Yen; Lin, Gong-Ru

2016-01-01

The epitaxy of high-power gallium nitride (GaN) light-emitting diode (LED) on amorphous silicon carbide (a-SixC1−x) buffer is demonstrated. The a-SixC1−x buffers with different nonstoichiometric C/Si composition ratios are synthesized on SiO2/Si substrate by using a low-temperature plasma enhanced chemical vapor deposition. The GaN LEDs on different SixC1−x buffers exhibit different EL and C-V characteristics because of the extended strain induced interfacial defects. The EL power decays when increasing the Si content of SixC1−x buffer. The C-rich SixC1−x favors the GaN epitaxy and enables the strain relaxation to suppress the probability of Auger recombination. When the SixC1−x buffer changes from Si-rich to C-rich condition, the EL peak wavelengh shifts from 446 nm to 450 nm. Moreover, the uniform distribution contour of EL intensity spreads between the anode and the cathode because the traping density of the interfacial defect gradually reduces. In comparison with the GaN LED grown on Si-rich SixC1−x buffer, the device deposited on C-rich SixC1−x buffer shows a lower turn-on voltage, a higher output power, an external quantum efficiency, and an efficiency droop of 2.48 V, 106 mW, 42.3%, and 7%, respectively. PMID:26794268

Examining a Thermodynamic Order Parameter of Protein Folding.

Science.gov (United States)

Chong, Song-Ho; Ham, Sihyun

2018-05-08

Dimensionality reduction with a suitable choice of order parameters or reaction coordinates is commonly used for analyzing high-dimensional time-series data generated by atomistic biomolecular simulations. So far, geometric order parameters, such as the root mean square deviation, fraction of native amino acid contacts, and collective coordinates that best characterize rare or large conformational transitions, have been prevailing in protein folding studies. Here, we show that the solvent-averaged effective energy, which is a thermodynamic quantity but unambiguously defined for individual protein conformations, serves as a good order parameter of protein folding. This is illustrated through the application to the folding-unfolding simulation trajectory of villin headpiece subdomain. We rationalize the suitability of the effective energy as an order parameter by the funneledness of the underlying protein free energy landscape. We also demonstrate that an improved conformational space discretization is achieved by incorporating the effective energy. The most distinctive feature of this thermodynamic order parameter is that it works in pointing to near-native folded structures even when the knowledge of the native structure is lacking, and the use of the effective energy will also find applications in combination with methods of protein structure prediction.

The Risk of Vocal Fold Atrophy after Serial Corticosteroid Injections of the Vocal Fold.

Science.gov (United States)

Shi, Lucy L; Giraldez-Rodriguez, Laureano A; Johns, Michael M

2016-11-01

The aim of this study was to illustrate the risk of vocal fold atrophy in patients who receive serial subepithelial steroid injections for vocal fold scar. This study is a retrospective case report of two patients who underwent a series of weekly subepithelial infusions of 10 mg/mL dexamethasone for benign vocal fold lesion. Shortly after the procedures, both patients developed a weak and breathy voice. The first patient was a 53-year-old man with radiation-induced vocal fold stiffness. Six injections were performed unilaterally, and 1 week later, he developed unilateral vocal fold atrophy with new glottal insufficiency. The second patient was a 67-year-old woman with severe vocal fold inflammation related to laryngitis and calcinosis, Raynaud's phenomenon, esophagean dysmotility, sclerodactyly, and telangiectasia (CREST) syndrome. Five injections were performed bilaterally, and 1 week later, she developed bilateral vocal fold atrophy with a large midline glottal gap during phonation. In both cases, the steroid-induced vocal atrophy resolved spontaneously after 4 months. Serial subepithelial steroid infusions of the vocal folds, although safe in the majority of patients, carry the risk of causing temporary vocal fold atrophy when given at short intervals. Copyright © 2016 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Synthesis, structure and fluorescence properties of a novel 3D Sr(II) coordination polymer

Science.gov (United States)

Tan, Yu-Hui; Xu, Qing; Gu, Zhi-Feng; Gao, Ji-Xing; Wang, Bin; Liu, Yi; Yang, Chang-Shan; Tang, Yun-Zhi

2016-09-01

Solvothermal reaction of 2,2‧-bipyridine-5,5‧-dicarboxylic acid (H2bpdc) and SrCl2 affords a novel coordination polymer [Sr(Hbpdc)2]n1. X-ray structure determination shows that 1 exhibits a novel three-dimensional network. The unique Sr II cation sits on a two-fold axis and coordinated by four O-atom donors from four Hbptc- ligands and four N-atom donors from two Hbptc- ligands in distorted dodecahedral geometry. In 1 each Sr II cation connects to six different Hbptc- ligands and each Hbptc- ligand bridges three different Sr II cations which results in the formation of a three-dimensional polymeric structure. Corresponding to the free ligand, the fluorescent emission of complex 1 display remarkable "Einstain" shifts, which may be attributed to the coordination interaction of Sr atoms, thus reduce the rigidity of pyridyl rings.

An unprecedented extended architecture constructed from a 2-D interpenetrating cationic coordination framework templated by SiW12O404- anion

International Nuclear Information System (INIS)

Wang Xiuli; Lin Hongyan; Bi Yanfeng; Chen Baokuan; Liu Guocheng

2008-01-01

A novel inorganic-organic hybrid compound based on polyoxometalates (POMs) and organic ligand formulated as [Cu 2 (bpp) 4 (H 2 O) 2 ](SiW 12 O 40 )∼6H 2 O (1) [bpp=1,3-bis(4-pyridyl)propane], was hydrothermally synthesized and structurally characterized by elemental analysis, single-crystal X-ray diffraction analysis, IR, TG, and cyclic voltammetry. Crystal data for 1: Orthorhombic, Pbcn, a=23.0085(19) A, b=14.6379(12) A, c=23.6226(19) A, V=7956.0(11) A 3 , Z=4, Dc=3.315 g cm -3 , and R(final)=0.0826. X-ray diffraction study reveals that compound 1 was the first interpenetrating network of 2-D metal-organic cationic coordination framework [Cu 2 (bpp) 4 (H 2 O) 2 ] n 4n+ , in which Keggin-type anions SiW 12 O 40 4- has been used as a non-coordinating anionic template. The electrochemical property of 1-bulk modified carbon paste electrode (1-CPE) has been studied, and the results indicate that 1-CPE has good electrocatalytic activities toward the reduction of nitrite in 1 M H 2 SO 4 aqueous solution. - Graphical abstract: Compound [Cu 2 (bpp) 4 (H 2 O) 2 ](SiW 12 O 40 )∼6H 2 O (1) represents the first 2-D interpenetrating cationic metal-organic frameworks (MOFs) templated by Keggin-type anions. These MOF layers are stacked together along the crystallographic c axis exactly to construct large cubic-like channels (with dimensions of 12.3x13.6 A) occupied by SiW 12 O 40 4- clusters

The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins.

Science.gov (United States)

Ma, Xueyan; Panjikar, Santosh; Koepke, Juergen; Loris, Elke; Stöckigt, Joachim

2006-04-01

The enzyme strictosidine synthase (STR1) from the Indian medicinal plant Rauvolfia serpentina is of primary importance for the biosynthetic pathway of the indole alkaloid ajmaline. Moreover, STR1 initiates all biosynthetic pathways leading to the entire monoterpenoid indole alkaloid family representing an enormous structural variety of approximately 2000 compounds in higher plants. The crystal structures of STR1 in complex with its natural substrates tryptamine and secologanin provide structural understanding of the observed substrate preference and identify residues lining the active site surface that contact the substrates. STR1 catalyzes a Pictet-Spengler-type reaction and represents a novel six-bladed beta-propeller fold in plant proteins. Structure-based sequence alignment revealed a common repetitive sequence motif (three hydrophobic residues are followed by a small residue and a hydrophilic residue), indicating a possible evolutionary relationship between STR1 and several sequence-unrelated six-bladed beta-propeller structures. Structural analysis and site-directed mutagenesis experiments demonstrate the essential role of Glu-309 in catalysis. The data will aid in deciphering the details of the reaction mechanism of STR1 as well as other members of this enzyme family.

Combinatorial pattern discovery approach for the folding trajectory analysis of a beta-hairpin.

Directory of Open Access Journals (Sweden)

Laxmi Parida

2005-06-01

Full Text Available The study of protein folding mechanisms continues to be one of the most challenging problems in computational biology. Currently, the protein folding mechanism is often characterized by calculating the free energy landscape versus various reaction coordinates, such as the fraction of native contacts, the radius of gyration, RMSD from the native structure, and so on. In this paper, we present a combinatorial pattern discovery approach toward understanding the global state changes during the folding process. This is a first step toward an unsupervised (and perhaps eventually automated approach toward identification of global states. The approach is based on computing biclusters (or patterned clusters-each cluster is a combination of various reaction coordinates, and its signature pattern facilitates the computation of the Z-score for the cluster. For this discovery process, we present an algorithm of time complexity c in RO((N + nm log n, where N is the size of the output patterns and (n x m is the size of the input with n time frames and m reaction coordinates. To date, this is the best time complexity for this problem. We next apply this to a beta-hairpin folding trajectory and demonstrate that this approach extracts crucial information about protein folding intermediate states and mechanism. We make three observations about the approach: (1 The method recovers states previously obtained by visually analyzing free energy surfaces. (2 It also succeeds in extracting meaningful patterns and structures that had been overlooked in previous works, which provides a better understanding of the folding mechanism of the beta-hairpin. These new patterns also interconnect various states in existing free energy surfaces versus different reaction coordinates. (3 The approach does not require calculating the free energy values, yet it offers an analysis comparable to, and sometimes better than, the methods that use free energy landscapes, thus validating the

Combinatorial Pattern Discovery Approach for the Folding Trajectory Analysis of a beta-Hairpin.

Directory of Open Access Journals (Sweden)

2005-06-01

Full Text Available The study of protein folding mechanisms continues to be one of the most challenging problems in computational biology. Currently, the protein folding mechanism is often characterized by calculating the free energy landscape versus various reaction coordinates, such as the fraction of native contacts, the radius of gyration, RMSD from the native structure, and so on. In this paper, we present a combinatorial pattern discovery approach toward understanding the global state changes during the folding process. This is a first step toward an unsupervised (and perhaps eventually automated approach toward identification of global states. The approach is based on computing biclusters (or patterned clusters-each cluster is a combination of various reaction coordinates, and its signature pattern facilitates the computation of the Z-score for the cluster. For this discovery process, we present an algorithm of time complexity cinRO((N + nm log n, where N is the size of the output patterns and (n x m is the size of the input with n time frames and m reaction coordinates. To date, this is the best time complexity for this problem. We next apply this to a beta-hairpin folding trajectory and demonstrate that this approach extracts crucial information about protein folding intermediate states and mechanism. We make three observations about the approach: (1 The method recovers states previously obtained by visually analyzing free energy surfaces. (2 It also succeeds in extracting meaningful patterns and structures that had been overlooked in previous works, which provides a better understanding of the folding mechanism of the beta-hairpin. These new patterns also interconnect various states in existing free energy surfaces versus different reaction coordinates. (3 The approach does not require calculating the free energy values, yet it offers an analysis comparable to, and sometimes better than, the methods that use free energy landscapes, thus validating the

Si K-edge XANES study of SiOxCyHz amorphous polymeric materials

International Nuclear Information System (INIS)

Chaboy, J.; Barranco, A.; Yanguas-Gil, A.; Yubero, F.; Gonzalez-Elipe, A. R.

2007-01-01

This work reports on x-ray absorption spectroscopy study at the Si K edge of several amorphous SiO x C y H z polymers prepared by plasma-enhanced chemical-vapor deposition with different C/O ratios. SiO 2 and SiC have been used as reference materials. The comparison of the experimental Si K-edge x-ray absorption near-edge structure spectra with theoretical computations based on multiple scattering theory has allowed us to monitor the modification of the local coordination around Si as a function of the overall C/O ratio in this kind of materials

SiC/SiC Cladding Materials Properties Handbook

Energy Technology Data Exchange (ETDEWEB)

Snead, Mary A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Katoh, Yutai [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Koyanagi, Takaaki [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Singh, Gyanender P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2017-08-01

When a new class of material is considered for a nuclear core structure, the in-pile performance is usually assessed based on multi-physics modeling in coordination with experiments. This report aims to provide data for the mechanical and physical properties and environmental resistance of silicon carbide (SiC) fiber–reinforced SiC matrix (SiC/SiC) composites for use in modeling for their application as accidenttolerant fuel cladding for light water reactors (LWRs). The properties are specific for tube geometry, although many properties can be predicted from planar specimen data. This report presents various properties, including mechanical properties, thermal properties, chemical stability under normal and offnormal operation conditions, hermeticity, and irradiation resistance. Table S.1 summarizes those properties mainly for nuclear-grade SiC/SiC composites fabricated via chemical vapor infiltration (CVI). While most of the important properties are available, this work found that data for the in-pile hydrothermal corrosion resistance of SiC materials and for thermal properties of tube materials are lacking for evaluation of SiC-based cladding for LWR applications.

Hydrosilylation induced by N→Si intramolecular coordination: spontaneous transformation of organosilanes into 1-aza-silole-type molecules in the absence of a catalyst.

Science.gov (United States)

Novák, Miroslav; Dostál, Libor; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš; Lyčka, Antonín; Jambor, Roman

2014-02-24

Our attempts to synthesize the N→Si intramolecularly coordinated organosilanes Ph2 L(1) SiH (1 a), PhL(1) SiH2 (2 a), Ph2 L(2) SiH (3 a), and PhL(2) SiH2 (4 a) containing a CH=N imine group (in which L(1) is the C,N-chelating ligand {2-[CH=N(C6 H3 -2,6-iPr2)]C6 H4}(-) and L(2) is {2-[CH=N(tBu)]C6 H4}(-)) yielded 1-[2,6-bis(diisopropyl)phenyl]-2,2-diphenyl-1-aza-silole (1), 1-[2,6-bis(diisopropyl)phenyl]-2-phenyl-2-hydrido-1-aza-silole (2), 1-tert-butyl-2,2-diphenyl-1-aza-silole (3), and 1-tert-butyl-2-phenyl-2-hydrido-1-aza-silole (4), respectively. Isolated organosilicon amides 1-4 are an outcome of the spontaneous hydrosilylation of the CH=N imine moiety induced by N→Si intramolecular coordination. Compounds 1-4 were characterized by NMR spectroscopy and X-ray diffraction analysis. The geometries of organosilanes 1 a-4 a and their corresponding hydrosilylated products 1-4 were optimized and fully characterized at the B3LYP/6-31++G(d,p) level of theory. The molecular structure determination of 1-3 suggested the presence of a Si-N double bond. Natural bond orbital (NBO) analysis, however, shows a very strong donor-acceptor interaction between the lone pair of the nitrogen atom and the formal empty p orbital on the silicon and therefore, the calculations show that the Si-N bond is highly polarized pointing to a predominantly zwitterionic Si(+) N(-) bond in 1-4. Since compounds 1-4 are hydrosilylated products of 1 a-4 a, the free energies (ΔG298), enthalpies (ΔH298), and entropies (ΔH298) were computed for the hydrosilylation reaction of 1 a-4 a with both B3LYP and B3LYP-D methods. On the basis of the very negative ΔG298 values, the hydrosilylation reaction is highly exergonic and compounds 1 a-4 a are spontaneously transformed into 1-4 in the absence of a catalyst. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of the growth-surface on the incorporation of phosphorus in SiC

International Nuclear Information System (INIS)

Rauls, E.; Gerstmann, U.; Frauenheim, Th.

2005-01-01

Phosphorus is a common and desired n-type dopant of SiC, but it turned out that doping by diffusion or during growth is rarely successful. To avoid the efforts and the creation of damage if ion implantation is used instead, these techniques were, though, highly desirable. In this work, we have investigated theoretically the experimental observation that phosphorus obviously hardly diffuses into the material. Not the diffusivity of the dopant but its addiction to occupy a three-fold coordinated surface site are critical, together with the way the surface affects the bulk migration barriers of the dopants. Whereas the most common growth direction for 4H-SiC, the polar silicon terminated (0001) surface, seems to be least appropriate for the incorporation of phosphorus atoms, growth along the nonpolar [112-bar 0] provides a good possibility to achieve efficient P-doping during growth

Molten (Mg0.88Fe0.12)2SiO4 at lower mantle conditions - Melting products and structure of quenched glasses

Science.gov (United States)

Williams, Quentin

1990-01-01

Infrared spectra of quenched magnesium silicate glasses synthesized by fusing olivine at pressures in excess of 50 GPa and temperatures greater than 2500 K demonstrate that silicon is dominantly present in four-fold coordination with respect to oxygen within these quenched glasses. This low coordination is attributed, by analogy with the structural behavior of glasses compressed at 300 K, to the instability of higher coordinations in glasses of these compositions on decompression. Spectra of glasses formed in a hydrous environment document that water is extensively soluble in melts at these high pressures and temperatures. Also, these results are consistent with the melting of (Mg0.88Fe0.12)2SiO4 compositions to liquids near pyroxene in stoichiometry under these conditions, with iron-rich magnesiowuestite being the liquidus phase.

Nonparametric variational optimization of reaction coordinates

Energy Technology Data Exchange (ETDEWEB)

Banushkina, Polina V.; Krivov, Sergei V., E-mail: s.krivov@leeds.ac.uk [Astbury Center for Structural Molecular Biology, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT (United Kingdom)

2015-11-14

State of the art realistic simulations of complex atomic processes commonly produce trajectories of large size, making the development of automated analysis tools very important. A popular approach aimed at extracting dynamical information consists of projecting these trajectories into optimally selected reaction coordinates or collective variables. For equilibrium dynamics between any two boundary states, the committor function also known as the folding probability in protein folding studies is often considered as the optimal coordinate. To determine it, one selects a functional form with many parameters and trains it on the trajectories using various criteria. A major problem with such an approach is that a poor initial choice of the functional form may lead to sub-optimal results. Here, we describe an approach which allows one to optimize the reaction coordinate without selecting its functional form and thus avoiding this source of error.

The Structure of Rauvolfia serpentina Strictosidine Synthase Is a Novel Six-Bladed β-Propeller Fold in Plant Proteins[W

Science.gov (United States)

Ma, Xueyan; Panjikar, Santosh; Koepke, Juergen; Loris, Elke; Stöckigt, Joachim

2006-01-01

The enzyme strictosidine synthase (STR1) from the Indian medicinal plant Rauvolfia serpentina is of primary importance for the biosynthetic pathway of the indole alkaloid ajmaline. Moreover, STR1 initiates all biosynthetic pathways leading to the entire monoterpenoid indole alkaloid family representing an enormous structural variety of ∼2000 compounds in higher plants. The crystal structures of STR1 in complex with its natural substrates tryptamine and secologanin provide structural understanding of the observed substrate preference and identify residues lining the active site surface that contact the substrates. STR1 catalyzes a Pictet-Spengler–type reaction and represents a novel six-bladed β-propeller fold in plant proteins. Structure-based sequence alignment revealed a common repetitive sequence motif (three hydrophobic residues are followed by a small residue and a hydrophilic residue), indicating a possible evolutionary relationship between STR1 and several sequence-unrelated six-bladed β-propeller structures. Structural analysis and site-directed mutagenesis experiments demonstrate the essential role of Glu-309 in catalysis. The data will aid in deciphering the details of the reaction mechanism of STR1 as well as other members of this enzyme family. PMID:16531499

Synthesis of a 1-Aryl-2,2-chlorosilyl(phosphasilene Coordinated by an N-Heterocyclic Carbene

Directory of Open Access Journals (Sweden)

Andreas Wolfgang Kyri

2016-09-01

Full Text Available Phosphasilenes, P=Si doubly bonded compounds, have received considerable attention due to their unique physical and chemical properties. We report on the synthesis and structure of a chlorophosphasilene coordinated by an N-heterocyclic carbene (NHC, which has the potential of functionalization at the Si–Cl moiety. Treatment of a silylphosphine, ArPH–SiCl2RSi (Ar = bulky aryl group, RSi = Si(SiMe33 with two equivalents of Im-Me4 (1,3,4,5-tetramethylimidazol-2-ylidene afforded the corresponding NHC-coordinated phosphasilene, ArP=SiClRSi(Im-Me4 as a stable compound. Bonding properties of the P=Si bond coordinated to an NHC will be discussed on the basis of theoretical calculations.

High resolution investigation of the 30Si(þ, þ)30Si reaction

NARCIS (Netherlands)

Walinga, J.; Rinsvelt, H.A. van; Endt, P.M.

The differential cross section for elastic scattering of protons on 30Si was measured with surface barrier counters at four angles. Thirty-six 30Si(þ, γ)31P resonances are known in the Ep=1–2MeV region. Fifteen of these were also observed in the 30Si(þ, þ)30Si reaction, with natural widths varying

Redetermination of clinobaryl-ite, BaBe(2)Si(2)O(7).

Science.gov (United States)

Domizio, Adrien J Di; Downs, Robert T; Yang, Hexiong

2012-10-01

Clinobaryl-ite, ideally BaBe(2)Si(2)O(7) (chemical name barium diberyllium disilicate), is a sorosilicate mineral and dimorphic with baryl-ite. It belongs to a group of compounds characterized by the general formula BaM(2+) (2)Si(2)O(7), with M(2+) = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobaryl-ite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia). The structure of clinobaryl-ite can be considered as a framework of BeO(4) and SiO(4) tetra-hedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO(4) tetra-hedra share corners, forming chains parallel to the c axis, which are inter-linked by the Si(2)O(7) units oriented parallel to the a axis. The Ba(2+) cations (site symmetry m..) are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si-O(br) (bridging O atom, at site symmetry m..) bond length, the Si-O(nbr) (non-bridging O atoms) bond lengths, and the Si-O-Si angle within the Si(2)O(7) unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004 ▶). N. Jb. Miner. Mh. pp. 373-384].

Supramolecular Nanoparticles via Single-Chain Folding Driven by Ferrous Ions.

Science.gov (United States)

Wang, Fei; Pu, Hongting; Jin, Ming; Wan, Decheng

2016-02-01

Single-chain nanoparticles can be obtained via single-chain folding assisted by intramolecular crosslinking reversibly or irreversibly. Single-chain folding is also an efficient route to simulate biomacromolecules. In present study, poly(N-hydroxyethylacrylamide-co-4'-(propoxy urethane ethyl acrylate)-2,2':6',2''-terpyridine) (P(HEAm-co-EMA-Tpy)) is synthesized via reversible addition fragmentation chain transfer polymerization. Single-chain folding and intramolecular crosslinking of P(HEAm-co-EMA-Tpy) are achieved via metal coordination chemistry. The intramolecular interaction is characterized on ultraviolet/visible spectrophotometer (UV-vis spectroscopy), proton nuclear magnetic resonance ((1)H NMR), and differential scanning calorimetry (DSC). The supramolecular crosslinking mediated by Fe(2+) plays an important role in the intramolecular collapsing of the single-chain and the formation of the nanoparticles. The size and morphology of the nanoparticles can be controlled reversibly via metal coordination chemistry, which can be characterized by dynamic light scattering (DLS), transmission electron microscope (TEM), and atomic force microscope (AFM). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Redetermination of clinobarylite, BaBe2Si2O7

Directory of Open Access Journals (Sweden)

Adrien J. Di Domizio

2012-10-01

Full Text Available Clinobarylite, ideally BaBe2Si2O7 (chemical name barium diberyllium disilicate, is a sorosilicate mineral and dimorphic with barylite. It belongs to a group of compounds characterized by the general formula BaM2+2Si2O7, with M2+ = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobarylite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia. The structure of clinobarylite can be considered as a framework of BeO4 and SiO4 tetrahedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO4 tetrahedra share corners, forming chains parallel to the c axis, which are interlinked by the Si2O7 units oriented parallel to the a axis. The Ba2+ cations (site symmetry m.. are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si—Obr (bridging O atom, at site symmetry m.. bond length, the Si—Onbr (non-bridging O atoms bond lengths, and the Si—O—Si angle within the Si2O7 unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004. N. Jb. Miner. Mh. pp. 373–384].

A new high-pressure phase of Fe2SiO4 and the relationship between spin and structural transitions

Science.gov (United States)

Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Kharlamova, S. A.; Struzhkin, V. V.; Gramsch, S.; Mao, H.; Hemley, R. J.

2013-12-01

Structure transformation of Fe2SiO4 Angle-dispersive powder x-ray diffraction was carried out at beam line 16-BMD APS. Structure of a new high-pressure phase of I-Fe2SiO4 spinel was determined by Rietveld profile fitting of x-ray diffraction data up to 64GPa at ambient temperature. A structural transition from the cubic spinel to the new structure was observed at 34GPa. Diffraction patterns taken at 44.6GPa and 54.6GPa indicate a two-phase mixture of spinel and new high-pressure phase. Reversible transition from I-Fe2SiO4 to spinel was confirmed. Laser heating experiment at 1500K proved the decomposition of Fe2SiO4 spinel to two oxides of FeO and SiO2. Spin transition X-ray emission measurements of Fe2SiO4 were carried out up to 65GPa at ambient temperature at beam line 16-IDD APS. The spin transition exerts an influence to Fe2SiO4 spinel structure and triggers two distinct curves of the lattice constant in the spinel phase. Although the compression curve of the spinel is discontinuous at approximately 20 GPa, Fe Kβ emission measurements show that the transition from a high spin (HS) to an intermediate spin (IS) state begins at 17GPa in the spinel phase. The IS electronic state is gradually enhanced with pressure, which results in an isostructural phase transition. HS-to-LS transition of iron bearing spinels starts from 15.6GPa in Fe3O4 and 19.6GPa in Fe2TiO4. The transition is more capable due to Fe2+ in the octahedral site. The extremely shortened octahedral bonds result in a distortion of 6-fold cation site. New structure of Fe2SiO4 Monte Carlo method was applied to find candidates for the high-pressure phase using the diffraction intensities with fixed lattice constants determined by DICVOL. Rietveld profile fitting was then performed using the initial model. The new structure is a body centered orthorhombic phase (I-Fe2SiO4) with space group Imma and Z=4, with two crystallographically distinct FeO6 octahedra. Silicon exists in six-fold coordination in I-Fe2Si

A NEW THREE-DIMENSIONAL SOLAR WIND MODEL IN SPHERICAL COORDINATES WITH A SIX-COMPONENT GRID

Energy Technology Data Exchange (ETDEWEB)

Feng, Xueshang; Zhang, Man; Zhou, Yufen, E-mail: fengx@spaceweather.ac.cn [SIGMA Weather Group, State Key Laboratory for Space Weather, Center for Space Science and Applied Research, Chinese Academy of Sciences, Beijing 100190 (China)

2014-09-01

In this paper, we introduce a new three-dimensional magnetohydrodynamics numerical model to simulate the steady state ambient solar wind from the solar surface to 215 R {sub s} or beyond, and the model adopts a splitting finite-volume scheme based on a six-component grid system in spherical coordinates. By splitting the magnetohydrodynamics equations into a fluid part and a magnetic part, a finite volume method can be used for the fluid part and a constrained-transport method able to maintain the divergence-free constraint on the magnetic field can be used for the magnetic induction part. This new second-order model in space and time is validated when modeling the large-scale structure of the solar wind. The numerical results for Carrington rotation 2064 show its ability to produce structured solar wind in agreement with observations.

A comparison of RNA folding measures

Directory of Open Access Journals (Sweden)

Gardner Paul P

2005-10-01

Full Text Available Abstract Background In the last few decades there has been a great deal of discussion concerning whether or not noncoding RNA sequences (ncRNAs fold in a more well-defined manner than random sequences. In this paper, we investigate several existing measures for how well an RNA sequence folds, and compare the behaviour of these measures over a large range of Rfam ncRNA families. Such measures can be useful in, for example, identifying novel ncRNAs, and indicating the presence of alternate RNA foldings. Results Our analysis shows that ncRNAs, but not mRNAs, in general have lower minimal free energy (MFE than random sequences with the same dinucleotide frequency. Moreover, even when the MFE is significant, many ncRNAs appear to not have a unique fold, but rather several alternative folds, at least when folded in silico. Furthermore, we find that the six investigated measures are correlated to varying degrees. Conclusion Due to the correlations between the different measures we find that it is sufficient to use only two of them in RNA folding studies, one to test if the sequence in question has lower energy than a random sequence with the same dinucleotide frequency (the Z-score and the other to see if the sequence has a unique fold (the average base-pair distance, D.

Six coordination compounds: mode of cytotoxic action and biological evaluation

Directory of Open Access Journals (Sweden)

ali aydin

2016-09-01

Full Text Available This study describes the biological and anticancer properties of followed coordination compounds. IR spectra, magnetic properties, thermal analyses and crystal structures of six cyanido-complexes derivatives with [MII(CN4]2- (MII= Ni and Pd and [Co(CN6]3- anions and N-bishydeten (N,N-bis(2-hydroxyethylethylenediamine as a capping ligand have been previously reported. Here, we investigated these complexes denoted as[Ni(N-bishydetenNi(CN4] (C1, [Zn2(N-bishydeten2Ni(CN4] (C2, [Ni(N-bishydetenPd(CN4] (C3, [Cd(N-bishydeten2][Pd(CN4] (C4, [Ni2(N-bishydeten2Co(CN6].3H2O (C5 and K[Cd(N-bishydetenCo(CN6].1.5H2O (C6, which were tested for their anti-proliferative activity against human cervical cancer (HeLa, human colon cancer (HT29, rat glioma (C6 and African green monkey kidney (Vero cell lines. The DNA/BSA binding affinities of these compounds were also elucidated by spectroscopic titrations, displacement experiments and electrophoresis measurements. Studies on cancerous cells revealed that C1, C2, C4 and C6 exhibited significant antitumor activity and inhibited tumor progression in testing cell lines and showed high solubility in the solvent. Absorbance and emission spectra data results revealed that the complexes interact with the DNA via groove binding mode of interaction. Overall, these compounds have been found to demonstrate effective anti-proliferative activity against the cancer cell lines, indicating that they are a potent candidate for preclinical or clinical study.

Vocal-fold vibration of patients with Reinke's edema observed using high-speed digital imaging.

Science.gov (United States)

Watanabe, Takeshi; Kaneko, Kenichi; Sakaguchi, Koichi; Takahashi, Haruo

2016-12-01

We aimed to assess the vocal-fold vibration of patients with moderate-to-severe Reinke's edema using high-speed digital imaging (HSDI) and videostroboscopy and to confirm HSDI usefulness in examining the vocal folds with Reinke's edema. We examined the vocal folds of seven patients (six severe and one moderate; six females and one male; aged 55-74 years; mean 64.7 years) with Reinke's edema using HSDI and videostroboscopy. The following characteristics were analyzed: glottic closure, mucosal-wave propagation, left-right asymmetry, phase shift, frequency difference, periodicity, and contact of the true vocal fold with the false vocal fold. HSDI revealed complete glottic closure, anterior-posterior phase shift, and obvious contact of at least one side of the edematous true vocal fold with the ipsilateral false vocal fold in all patients. Mucosal-wave propagation increased in six patients and decreased in one. Left-right asymmetry was observed in six patients. Left-right phase shifts and left-right frequency differences were observed in four and two patients, respectively. The vibration was periodic in four patients, quasi-periodic in three, and aperiodic in none. Anterior-posterior frequency differences were not observed for any patient. The vocal-fold vibration always synchronized with strobolights in two patients, while the vibration occasionally and never synchronized in two and three patients, respectively. In one patient whose vibration occasionally synchronized, videostroboscopy could not reveal the slight left-right frequency difference of the vibration. It was often difficult to observe vocal-fold vibration correctly in patients with severe Reinke's edema using videostroboscopy. However, HSDI was useful for examining these patients. Our results suggest that HSDI can be very useful for examining the vocal folds of patients with severe Reinke's edema. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Stretched versus compressed exponential kinetics in α-helix folding

International Nuclear Information System (INIS)

Hamm, Peter; Helbing, Jan; Bredenbeck, Jens

2006-01-01

In a recent paper (J. Bredenbeck, J. Helbing, J.R. Kumita, G.A. Woolley, P. Hamm, α-helix formation in a photoswitchable peptide tracked from picoseconds to microseconds by time resolved IR spectroscopy, Proc. Natl. Acad. Sci USA 102 (2005) 2379), we have investigated the folding of a photo-switchable α-helix with a kinetics that could be fit by a stretched exponential function exp(-(t/τ) β ). The stretching factor β became smaller as the temperature was lowered, a result which has been interpreted in terms of activated diffusion on a rugged energy surface. In the present paper, we discuss under which conditions diffusion problems occur with stretched exponential kinetics (β 1). We show that diffusion problems do have a strong tendency to yield stretched exponential kinetics, yet, that there are conditions (strong perturbation from equilibrium, performing the experiment in the folding direction) under which compressed exponential kinetics would be expected instead. We discuss the kinetics on free energy surfaces predicted by simple initiation-propagation models (zipper models) of α-helix folding, as well as by folding funnel models. We show that our recent experiment has been performed under condition for which models with strong downhill driving force, such as the zipper model, would predict compressed, rather than stretched exponential kinetics, in disagreement with the experimental observation. We therefore propose that the free energy surface along a reaction coordinate that governs the folding kinetics must be relatively flat and has a shape similar to a 1D golf course. We discuss how this conclusion can be unified with the thermodynamically well established zipper model by introducing an additional kinetic reaction coordinate

Vocal Fold Vibratory Changes Following Surgical Intervention.

Science.gov (United States)

Chen, Wenli; Woo, Peak; Murry, Thomas

2016-03-01

High-speed videoendoscopy (HSV) captures direct cycle-to-cycle visualization of vocal fold movement in real time. This ultrafast recording rate is capable of visualizing the vibratory motion of the vocal folds in severely disordered phonation and provides a direct method for examining vibratory changes after vocal fold surgery. The purpose of this study was to examine the vibratory motion before and after surgical intervention. HSV was captured from two subjects with identifiable midvocal fold benign lesions and six subjects with highly aperiodic vocal fold vibration before and after phonosurgery. Digital kymography (DKG) was used to extract high-speed kymographic vocal fold images sampled at the midmembranous, anterior 1/3, and posterior 1/3 region. Spectral analysis was subsequently applied to the DKG to quantify the cycle-to-cycle movements of the left and the right vocal fold, expressed as a spectrum. Before intervention, the vibratory spectrum consisted of decreased and flat-like spectral peaks with robust power asymmetry. After intervention, increases in spectral power and decreases in power symmetry were noted. Spectral power increases were most remarkable in the midmembranous region of the vocal fold. Surgical modification resulted in improved lateral excursion of the vocal folds, vibratory function, and perceptual measures of Voice Handicap Index-10. These changes in vibratory behavior trended toward normal vocal fold vibration. Copyright © 2016 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

The effect of doping Mg2+ on structure and properties of Sr(1.992-x)MgxSiO4: 0.008Eu2+ blue phosphor synthesized by co-precipitation method

Science.gov (United States)

Yang, Lingxiang; Wang, Jin-shan; Zhu, Da-chuan; Pu, Yong; Zhao, Cong; Han, Tao

2018-01-01

In order to improve the luminescence property of silicate phosphors, a series of Sr(1.992-x)MgxSiO4: 0.008Eu2+(x = 0, 0.25, 0.50, 0.75) blue phosphors have been synthesized using one-step calcination of a precursor prepared by chemical co-precipitation. And then the crystal structure and luminescence properties of the phosphors are investigated by means of X-Ray Diffraction and spectrophotometer. The results show that β-phase existed in the mixed phases of Sr2SiO4 (β+α‧) would transform to α‧-phase with Mg2+ ions doping into the silicate host until it disappeared. On the other hand, the introduction of Mg2+ ions can enhance the intensity of the excitation spectrum and promote the excitation sensitivity of Sr(1.992-x)MgxSiO4: 0.008Eu2+ phosphors in NUV region. Under NUV excitation at 350 nm, all samples exhibit a broadband emission in range of 400-550 nm due to the 4f65d1→4f7(8S7/2) transition of Eu2+ ions. According to Multi-peak fitting to emission spectra by Gauss method, the broad emission band consists of two single bands with peaks Em1 and Em2 locating at 460 and 490 nm, which corresponds to Eu2+ ions occupying the ten-fold oxygen-coordinated Sr1 site and the nine-fold oxygen-coordinated Sr2 site, respectively. The luminescence intensity of Sr(1.992-x)MgxSiO4:0.008Eu2+(x = 0, 0.25, 0.50, 0.75) blue phosphors has been enhanced remarkably after Mg2+ ions are added. Meanwhile, the chromaticity coordinates change from the blue-green region to the blue region as x moves from 0 to 0.75. Moreover, the decay curves are measured and can be well fitted with double exponential decay equation. It shows that the average lifetime is extended with the concentration of Mg2+ ions increasing. These results indicate that Sr(1.992-x)MgxSiO4: 0.008Eu2+(x = 0, 0.25, 0.50, 0.75) can be used as a potential blue phosphor in near UV-excited white LEDs.

Synthesis, electrochemistry, and spectroscopic properties of six-coordinate monooxomolybdenum(VI) complexes containing tridentate Schiff base and bidentate catecholate ligands. Crystal and molecular structure of (N-salicylidene-2-aminophenolato)(naphthalene-2,3-diolato)oxomolybdenum(VI)

International Nuclear Information System (INIS)

Mondal, J.U.; Schultz, F.A.; Brennan, T.D.; Scheidt, W.R.

1988-01-01

Six-coordinate monooxomolybdenum(VI) complexes, MoO(cat)(Sap), where Sap 2- = the Schiff base dianion N-salicylidene-2-aminophenolate and cat 2- = catecholate Cat 2- , naphthalene-2,3-diolate (Naphcat 2- ), or 3,5-di-tert-butylcatecholate (DTBcat 2- ), are prepared by reacting the Mo(VI) dimer. [MoO 2 (Sap)] 2 , with the appropriate catechol. The products are characterized by cyclic voltammetry, mass spectrometry, and uv/vis, ir, and 95 Mo NMR spectroscopy. The MoO(cat)(Sap) complexes represent the first examples of a mononuclear MoO 4+ center with a coordination number of six. The crystal structure of the MoO-(Naphcat)(Sap) derivative is reported, confirming the six-coordinate, distorted octahedrla environment about Mo(VI). Bond angles in the coordination group deviate from the ideal value of 90/degrees/ as a consequence of the ligand bite constraints and because all four O-Mo-O angles involving the terminal oxo ligand are larger than the ideal 90/degrees/ value. MoO(cat)(Sap) complexes undergo reversible one-electronic reduction at -0.5 to -0.7 V versus Fc /sup +/0/ followed by irreversible one-electron reduction at -1.6 to -1.9 V. Reversible MoO 4+ /MoO 3+ electrochemistry is attributed to the fact that the Mo d/sub xy/orbital of MoO(cat)(Sap) can be singly occupied upon reduction to Mo(V) without unfavorable interaction with the four bonds in its equatorial plane. This contrasts with the irreversible electrochemical behavior of seven-coordinate MoO 4+ complexes, which contain five such bonds. The 95 Mo NMR chemical shift of MoO(Naphcat)(Sap) is +385 ppM versus external molybdate; this value is highly deshielded with respect to seven-coordinate MoO 4+ and six-coordinate MoO 2 2+ complexes with O and N donors. 35 references, 4 figures, 5 tables

On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study

Science.gov (United States)

Gruner, S.; Marczinke, J.; Hennet, L.; Hoyer, W.; Cuello, G. J.

2009-09-01

The atomic structure of the liquid NiSi and NiSi2 alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

On the atomic structure of liquid Ni-Si alloys: a neutron diffraction study

Energy Technology Data Exchange (ETDEWEB)

Gruner, S; Marczinke, J; Hoyer, W [Institute of Physics, Chemnitz University of Technology, D-09107 Chemnitz (Germany); Hennet, L [CNRS-CEMHTI, University of Orleans, F-45071 Orleans (France); Cuello, G J, E-mail: sascha.gruner@physik.tu-chemnitz.d [Institute Laue-Langevin, PO Box 156, F-38042 Grenoble (France)

2009-09-23

The atomic structure of the liquid NiSi and NiSi{sub 2} alloys is investigated by means of neutron diffraction experiments with isotopic substitution. From experimental data-sets obtained using four Ni isotopes, partial structure factors and pair correlation functions are obtained by applying a reverse Monte Carlo modelling approach. Both alloys were found to exhibit a strong tendency to hetero-coordination within the first coordination shell. In particular, covalent Si-Si bonds with somewhat greater distances seem to influence the structure of the liquid NiSi alloy.

The Present Status of SiC/SiC R and D for Nuclear Application in Japan

International Nuclear Information System (INIS)

Kohyama, Akira

2011-01-01

SiC/SiC R and D for nuclear application in Japan is quite active under the coordinated activities of Atomic Energy Society of Japan's committee on 'Applications of Ceramic Materials for Advanced Nuclear Power Systems' and mainly government funded nuclear engineering/materials activities collaborating academia and industries. Start with the brief introduction of those activities, representing research activities are introduced. ITER and BA related SiC/SiC activities are emphasized, followed by introductions of extensive OASIS, Muroran Institute of Technology activities. The importance of international collaboration and strategic planning is mentioned.

Phase transformation during silica cluster impact on crystal silicon substrate studied by molecular dynamics simulation

International Nuclear Information System (INIS)

Chen Ruling; Luo Jianbin; Guo Dan; Lu Xinchun

2008-01-01

The process of a silica cluster impact on a crystal silicon substrate is studied by molecular dynamics simulation. At the impact loading stage, crystal silicon of the impact zone transforms to a locally ordered molten with increasing the local temperature and pressure of the impact zone. And then the transient molten forms amorphous silicon directly as the local temperature and pressure decrease at the impact unloading stage. Moreover, the phase behavior between the locally ordered molten and amorphous silicon exhibits the reversible structural transition. The transient molten contains not only lots of four-fold atom but also many three- and five-fold atoms. And the five-fold atom is similar to the mixture structure of semi-Si-II and semi-bct5-Si. The structure transformation between five- and four-fold atoms is affected by both pressure and temperature. The structure transformation between three- and four-fold atoms is affected mostly by temperature. The direct structure transformation between five- and three-fold atoms is not observed. Finally, these five- and three-fold atoms are also different from the usual five- and three-fold deficient atoms of amorphous silicon. In addition, according to the change of coordination number of atoms the impact process is divided into six stages: elastic, plastic, hysteresis, phase regressive, adhesion and cooling stages

Specimen size effect considerations for irradiation studies of SiC/SiC

Energy Technology Data Exchange (ETDEWEB)

Youngblood, G.E.; Henager, C.H. Jr.; Jones, R.H. [Pacific Northwest National Lab., Richland, WA (United States)

1996-10-01

For characterization of the irradiation performance of SiC/SiC, limited available irradiation volume generally dictates that tests be conducted on a small number of relatively small specimens. Flexure testing of two groups of bars with different sizes cut from the same SiC/SiC plate suggested the following lower limits for flexure specimen number and size: Six samples at a minimum for each condition and a minimum bar size of 30 x 6.0 x 2.0 mm{sup 3}.

SiO2 decoration dramatically enhanced the stability of PtRu electrocatalysts with undetectable deterioration in fuel cell performance

Science.gov (United States)

Yu, Xinxin; Xu, Zejun; Yang, Zehui; Xu, Sen; Zhang, Quan; Ling, Ying; Zhang, Yunfeng; Cai, Weiwei

2018-06-01

Prevention of Ru dissolution is essential for steady CO tolerance of anodic electrocatalysts in direct methanol fuel cells. Here, we demonstrate a facile way to stabilize Ru atoms by decorating commercial CB/PtRu with SiO2, which shows a six-fold higher stability and similar activity toward a methanol oxidation reaction leading to no discernible degradation in fuel cell performance compared to commercial CB/PtRu electrocatalysts. The higher stability and stable CO tolerance of SiO2-decorated electrocatalysts originate from the SiO2 coating, since Ru atoms are partially ionized during SiO2 decorating, resulting in difficulties in dissolution; while, in the case of commercial CB/PtRu, the dissolved Ru offers active sites for Pt coalescences and CO species resulting in the rapid decay of the electrochemical surface area and fuel cell performance. To the best of our knowledge, this is the first study about the stabilization of Ru atoms by SiO2. The highest stability is obtained for a PtRu electrocatalyst with negligible effect on the electrochemical properties.

Geometric structure of thin SiO xN y films on Si(100)

Science.gov (United States)

Behrens, K.-M.; Klinkenberg, E.-D.; Finster, J.; Meiwes-Broer, K.-H.

1998-05-01

Thin films of amorphous stoichometric SiO xN y are deposited on radiation-heated Si(100) by rapid thermal low-pressure chemical vapour deposition. We studied the whole range of possible compositions. In order to determine the geometric structure, we used EXAFS and photoelectron spectroscopy. Tetrahedrons constitute the short-range units with a central Si atom connected to N and O. The distribution of the possible tetrahedrons can be described by a mixture of the Random Bonding Model and the Random Mixture Model. For low oxygen contents x/( x+ y)≤0.3, the geometric structure of the film is almost the structure of a-Si 3N 4, with the oxygen preferably on top of Si-N 3 triangles. Higher oxygen contents induce changes in the bond lengths, bond angles and coordination numbers.

Trace element determination in presolar SiC grains by synchrotron x-ray fluorescence: Commencement of a coordinated multimethod study

International Nuclear Information System (INIS)

Knight, K.B.; Sutton, S.R.; Newville, M.; Davis, A.M.; Dauphas, N.; Lewis, R.S.; Amari, S.; Steele, I.M.; Savina, M.R.; Pellin, M.J.

2008-01-01

We determined trace element compositions of individual ∼1-3 ?m presolar SiC grains from 6 KJG grains and 26 additionally cleaned KJG grains from the Murchison CM chondrite using nondestructive synchrotron X-ray fluorescence (SXRF). Presolar SiC grains are robust remnants of stellar matter ejected from stars. They survived processing in the early solar system and retain the nucleosynthetic fingerprints of their stellar progenitors. As such, they represent unique physical probes of the interiors of stars. Presolar SiC grains are commonly analyzed by mass spectrometric techniques that determine isotopic compositions and, to some degree, elemental concentrations. These techniques, however, are destructive, and can be subject to matrix effects. Elemental composition data on presolar grains remain scarce and affected by contamination and analytical artifacts. In addition, contamination has plagued isotopic characterization of some elements such as Mo and Ba. We determined trace element compositions of individual ∼1-3 (micro)m presolar SiC grains from the Murchison CM chondrite using nondestructive synchrotron X-ray fluorescence (SXRF). Samples included the KJG fraction, and a second KJG fraction that underwent additional cleaning. As every cleaning step results in some grain loss, one goal of this study was to justify additional cleaning of grains. Six KJG grains and 26 additionally cleaned KJG grains were analyzed, with location and identities of individual grains noted for future correlated isotopic study.

Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units

Energy Technology Data Exchange (ETDEWEB)

Qin, Ling, E-mail: qinling@hfut.edu.cn [Department of Chemical Engineering and Food Processing, Xuancheng Campus, Hefei University of Technology, Xuancheng 242000, Anhui (China); Jiangsu Engineering Technology Research Center of Environmental Cleaning Materials (CEM), School of Environmental Sciences and Engineering, Nanjing University of Information Science and Technology (China); State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang [Department of Chemical Engineering and Food Processing, Xuancheng Campus, Hefei University of Technology, Xuancheng 242000, Anhui (China)

2016-07-15

Two zinc coordination polymers {[Zn_2(TPPBDA)(oba)_2]·DMF·1.5H_2O}{sub n} (1), {[Zn(TPPBDA)_1_/_2(tpdc)]·DMF}{sub n} (2) have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. These complexes were characterized by elemental analyses and X-ray single-crystal diffraction analyses. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. These mononuclear or dinuclear cluster units are linked by mix-ligands, resulting in various degrees of interpenetration. In addition, the photoluminescent properties for TPPBDA ligand under different state and coordination polymers have been investigated in detail. - Graphical abstract: Two zinc coordination polymers have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. In addition, the photoluminescent properties for TPPBDA ligand under different status and coordination polymers have been investigated in detail. Display Omitted - Highlights: • Two Zn coordination polymers based on mononuclear or dinuclear cluster units have been synthesized. • Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. • Compound 2 is a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. • The photoluminescent properties for TPPBDA with different state and two coordination polymers have been investigated.

Functional results after external vocal fold medialization thyroplasty with the titanium vocal fold medialization implant.

Science.gov (United States)

Schneider, Berit; Denk, Doris-Maria; Bigenzahn, Wolfgang

2003-04-01

A persistent insufficiency of glottal closure is mostly a consequence of a unilateral vocal fold movement impairment. It can also be caused by vocal fold atrophy or scarring processes with regular bilateral respiratory vocal fold function. Because of consequential voice, breathing, and swallowing impairments, a functional surgical treatment is required. The goal of the study was to outline the functional results after medialization thyroplasty with the titanium vocal fold medialization implant according to Friedrich. In the period of 1999 to 2001, an external vocal fold medialization using the titanium implant was performed on 28 patients (12 women and 16 men). The patients were in the age range of 19 to 84 years. Twenty-two patients had a paralysis of the left-side vocal fold, and six patients, of the right-side vocal fold. Detailed functional examinations were executed on all patients before and after the surgery: perceptive voice sound analysis according to the "roughness, breathiness, and hoarseness" method, judgment of the s/z ratio and voice dysfunction index, voice range profile measurements, videostroboscopy, and pulmonary function tests. In case of dysphagia/aspiration, videofluoroscopy of swallowing was also performed. The respective data were statistically analyzed (paired t test, Wilcoxon-test). All patients reported on improvement of voice, swallowing, and breathing functions postoperatively. Videostroboscopy revealed an almost complete glottal closure after surgery in all of the patients. All voice-related parameters showed a significant improvement. An increase of the laryngeal resistance by the medialization procedure could be excluded by analysis of the pulmonary function test. The results confirm the external medialization of the vocal folds as an adequate method in the therapy of voice, swallowing, and breathing impairment attributable to an insufficient glottal closure. The titanium implant offers, apart from good tissue tolerability, the

The Partial Molar Volume and Thermal Expansivity of Fe2O3 in Alkali Silicate Liquids: Evidence for the Average Coordination of Fe3+

Science.gov (United States)

Liu, Q.; Lange, R.

2003-12-01

Ferric iron is an important component in magmatic liquids, especially in those formed at subduction zones. Although it has long been known that Fe3+ occurs in four-, five- and six-fold coordination in crystalline compounds, only recently have all three Fe3+ coordination sites been confirmed in silicate glasses utilizing XANES spectroscopy at the Fe K-edge (Farges et al., 2003). Because the density of a magmatic liquid is largely determined by the geometrical packing of its network-forming cations (e.g., Si4+, Al3+, Ti4+, and Fe3+), the capacity of Fe3+ to undergo composition-induced coordination change affects the partial molar volume of the Fe2O3 component, which must be known to calculate how the ferric-ferrous ratio in magmatic liquids changes with pressure. Previous work has shown that the partial molar volume of Fe2O3 (VFe2O3) varies between calcic vs. sodic silicate melts (Mo et al., 1982; Dingwell and Brearley, 1988; Dingwell et al., 1988). The purpose of this study is to extend the data set in order to search for systematic variations in VFe2O3 with melt composition. High temperature (867-1534° C) density measurements were performed on eleven liquids in the Na2O-Fe2O3-FeO-SiO2 (NFS) system and five liquids in the K2O-Fe2O3-FeO-SiO2 (KFS) system using Pt double-bob Archimedean method. The ferric-ferrous ratio in the sodic and potassic liquids at each temperature of density measurement were calculated from the experimentally calibrated models of Lange and Carmichael (1989) and Tangeman et al. (2001) respectively. Compositions range (in mol%) from 4-18 Fe2O3, 0-3 FeO, 12-39 Na2O, 25-37 K2O, and 43-78 SiO2. Our density data are consistent with those of Dingwell et al. (1988) on similar sodic liquids. Our results indicate that for all five KFS liquids and for eight of eleven NFS liquids, the partial molar volume of the Fe2O3 component is a constant (41.57 ñ 0.14 cm3/mol) and exhibits zero thermal expansivity (similar to that for the SiO2 component). This value

Car-Parrinello molecular dynamics study of the coordination on Al3+ (aq)

International Nuclear Information System (INIS)

Larrucea, Julen

2011-01-01

The solution of the Al 3+ cation has been simulated for coordination numbers 4, 5 and 6 in order to test their stability. The trajectories confirm the stability of the four- and six-coordinated Al 3+ structures and Helmholtz's free energy estimations show the dehydration energy to decrease along with the coordination number. The five-coordinated structure turned into a six-coordinated one after 80 ps.

Plasmon-Enhanced Photoluminescence of an Amorphous Silicon Quantum Dot Light-Emitting Device by Localized Surface Plasmon Polaritons in Ag/SiOx:a-Si QDs/Ag Sandwich Nanostructures

Directory of Open Access Journals (Sweden)

Tsung-Han Tsai

2015-01-01

Full Text Available We investigated experimentally the plasmon-enhanced photoluminescence of the amorphous silicon quantum dots (a-Si QDs light-emitting devices (LEDs with the Ag/SiOx:a-Si QDs/Ag sandwich nanostructures, through the coupling between the a-Si QDs and localized surface plasmons polaritons (LSPPs mode, by tuning a one-dimensional (1D Ag grating on the top. The coupling of surface plasmons at the top and bottom Ag/SiOx:a-Si QDs interfaces resulted in the localized surface plasmon polaritons (LSPPs confined underneath the Ag lines, which exhibit the Fabry-Pérot resonance. From the Raman spectrum, it proves the existence of a-Si QDs embedded in Si-rich SiOx film (SiOx:a-Si QDs at a low annealing temperature (300°C to prevent the possible diffusion of Ag atoms from Ag film. The photoluminescence (PL spectra of a-Si QDs can be precisely tuned by a 1D Ag grating with different pitches and Ag line widths were investigated. An optimized Ag grating structure, with 500 nm pitch and 125 nm Ag line width, was found to achieve up to 4.8-fold PL enhancement at 526 nm and 2.46-fold PL integrated intensity compared to the a-Si QDs LEDs without Ag grating structure, due to the strong a-Si QDs-LSPPs coupling.

Enhanced Electron Mobility in Nonplanar Tensile Strained Si Epitaxially Grown on SixGe1-x Nanowires.

Science.gov (United States)

Wen, Feng; Tutuc, Emanuel

2018-01-10

We report the growth and characterization of epitaxial, coherently strained Si x Ge 1-x -Si core-shell nanowire heterostructure through vapor-liquid-solid growth mechanism for the Si x Ge 1-x core, followed by an in situ ultrahigh-vacuum chemical vapor deposition for the Si shell. Raman spectra acquired from individual nanowire reveal the Si-Si, Si-Ge, and Ge-Ge modes of the Si x Ge 1-x core and the Si-Si mode of the shell. Because of the compressive (tensile) strain induced by lattice mismatch, the core (shell) Raman modes are blue (red) shifted compared to those of unstrained bare Si x Ge 1-x (Si) nanowires, in good agreement with values calculated using continuum elasticity model coupled with lattice dynamic theory. A large tensile strain of up to 2.3% is achieved in the Si shell, which is expected to provide quantum confinement for electrons due to a positive core-to-shell conduction band offset. We demonstrate n-type metal-oxide-semiconductor field-effect transistors using Si x Ge 1-x -Si core-shell nanowires as channel and observe a 40% enhancement of the average electron mobility compared to control devices using Si nanowires due to an increased electron mobility in the tensile-strained Si shell.

General Protein Data Bank-Based Collective Variables for Protein Folding.

Science.gov (United States)

Ardevol, Albert; Palazzesi, Ferruccio; Tribello, Gareth A; Parrinello, Michele

2016-01-12

New, automated forms of data analysis are required to understand the high-dimensional trajectories that are obtained from molecular dynamics simulations on proteins. Dimensionality reduction algorithms are particularly appealing in this regard as they allow one to construct unbiased, low-dimensional representations of the trajectory using only the information encoded in the trajectory. The downside of this approach is that a different set of coordinates are required for each different chemical system under study precisely because the coordinates are constructed using information from the trajectory. In this paper, we show how one can resolve this problem by using the sketch-map algorithm that we recently proposed to construct a low-dimensional representation of the structures contained in the protein data bank. We show that the resulting coordinates are as useful for analyzing trajectory data as coordinates constructed using landmark configurations taken from the trajectory and that these coordinates can thus be used for understanding protein folding across a range of systems.

SiO2 Glass Density to Lower-Mantle Pressures

DEFF Research Database (Denmark)

Petitgirard, Sylvain; Malfait, Wim J.; Journaux, Baptiste

2017-01-01

and present Earth. SiO2 is the main constituent of Earth's mantle and is the reference model system for the behavior of silicate melts at high pressure. Here, we apply our recently developed x-ray absorption technique to the density of SiO2 glass up to 110 GPa, doubling the pressure range...... for such measurements. Our density data validate recent molecular dynamics simulations and are in good agreement with previous experimental studies conducted at lower pressure. Silica glass rapidly densifies up to 40 GPa, but the density trend then flattens to become asymptotic to the density of SiO2 minerals above 60...... GPa. The density data present two discontinuities at similar to 17 and similar to 60 GPa that can be related to a silicon coordination increase from 4 to a mixed 5/6 coordination and from 5/6 to sixfold, respectively. SiO2 glass becomes denser than MgSiO3 glass at similar to 40 GPa, and its density...

Redetermination of clinobaryl­ite, BaBe2Si2O7

Science.gov (United States)

Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong

2012-01-01

Clinobaryl­ite, ideally BaBe2Si2O7 (chemical name barium diberyllium disilicate), is a sorosilicate mineral and dimorphic with baryl­ite. It belongs to a group of compounds characterized by the general formula BaM 2+ 2Si2O7, with M 2+ = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobaryl­ite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia). The structure of clinobaryl­ite can be considered as a framework of BeO4 and SiO4 tetra­hedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO4 tetra­hedra share corners, forming chains parallel to the c axis, which are inter­linked by the Si2O7 units oriented parallel to the a axis. The Ba2+ cations (site symmetry m..) are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si—Obr (bridging O atom, at site symmetry m..) bond length, the Si—Onbr (non-bridging O atoms) bond lengths, and the Si—O—Si angle within the Si2O7 unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004 ▶). N. Jb. Miner. Mh. pp. 373–384]. PMID:23125568

Folding model analysis of the nucleus–nucleus scattering based on ...

Indian Academy of Sciences (India)

... Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Pramana – Journal of Physics; Volume 87; Issue 6. Folding model analysis of the nucleus–nucleus scattering based on Jacobi coordinates. F PAKDEL A A RAJABI L NICKHAH. Regular Volume 87 Issue 6 December 2016 Article ID 90 ...

Comparison of Voice Outcome After Vocal Fold Augmentation With Fat or Calcium Hydroxylapatite

NARCIS (Netherlands)

Lodder, Wouter L.; Dikkers, Frederik G.

Objectives/HypothesisTo evaluate the short-term voice outcomes of vocal fold augmentation using fat compared to calcium hydroxylapatite product Radiesse Voice (Merz Aesthetics). Study DesignRetrospective study design. MethodsSixty-six consecutive patients with vocal fold insufficiency were

Rhodium-rich silicides RERh{sub 6}Si{sub 4} (RE=La, Nd, Tb, Dy, Er, Yb)

Energy Technology Data Exchange (ETDEWEB)

Vosswinkel, Daniel; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

2017-07-01

Polycrystalline RERh{sub 6}Si{sub 4} (RE=La, Nd, Tb, Dy, Er, Yb) samples can be synthesized by arc-melting of the elements. Single crystals of LaRh{sub 6}Si{sub 4}, NdRh{sub 6}Si{sub 4} and YbRh{sub 6}Si{sub 4} were synthesized from the elements in bismuth fluxes (non-reactive flux medium). The structures were refined on the basis of single-crystal X-ray diffractometer data: LiCo{sub 6}P{sub 4} type, P anti 6m2, a=700.56(3), c=380.55(1) pm, wR2=0.0257, 317 F{sup 2} values, 19 variables for LaRh{sub 6}Si{sub 4}, a=698.4(5), c=377.7(2) pm, wR2=0.0578, 219 F{sup 2} values, 19 variables for NdRh{sub 6}Si{sub 4} and a=696.00(3), c=371.97(1) pm, wR2=0.0440, 309 F{sup 2} values, 19 variables for YbRh{sub 6}Si{sub 4}. The rhodium and silicon atoms build up three-dimensional, covalently bonded [Rh{sub 6}Si{sub 4}]{sup δ-} polyanionic networks with Rh-Si distances ranging from 239 to 249 pm. The rare earth atoms fill larger cavities within channels of these networks and they are coordinated by six silicon and twelve rhodium atoms in the form of hexa-capped hexagonal prisms.

Localizing internal friction along the reaction coordinate of protein folding by combining ensemble and single-molecule fluorescence spectroscopy

Science.gov (United States)

Borgia, Alessandro; Wensley, Beth G.; Soranno, Andrea; Nettels, Daniel; Borgia, Madeleine B.; Hoffmann, Armin; Pfeil, Shawn H.; Lipman, Everett A.; Clarke, Jane; Schuler, Benjamin

2012-01-01

Theory, simulations and experimental results have suggested an important role of internal friction in the kinetics of protein folding. Recent experiments on spectrin domains provided the first evidence for a pronounced contribution of internal friction in proteins that fold on the millisecond timescale. However, it has remained unclear how this contribution is distributed along the reaction and what influence it has on the folding dynamics. Here we use a combination of single-molecule Förster resonance energy transfer, nanosecond fluorescence correlation spectroscopy, microfluidic mixing and denaturant- and viscosity-dependent protein-folding kinetics to probe internal friction in the unfolded state and at the early and late transition states of slow- and fast-folding spectrin domains. We find that the internal friction affecting the folding rates of spectrin domains is highly localized to the early transition state, suggesting an important role of rather specific interactions in the rate-limiting conformational changes. PMID:23149740

Coordinating Work with Groupware

DEFF Research Database (Denmark)

Pors, Jens Kaaber; Simonsen, Jesper

2003-01-01

One important goal of employing groupware is to make possible complex collaboration between geographically distributed groups. This requires a dual transformation of both technology and work practice. The challenge is to re­duce the complexity of the coordination work by successfully inte....... Using the CSCW frame­work of coordination mechanisms, we have elicited six general factors influencing the integration of the groupware application in two situations....

C-H and C-C activation of n -butane with zirconium hydrides supported on SBA15 containing N-donor ligands: [(≡SiNH-)(≡SiX-)ZrH2], [(≡SiNH-)(≡SiX-)2ZrH], and[(≡SiN=)(≡SiX-)ZrH] (X = -NH-, -O-). A DFT study

KAUST Repository

Pasha, Farhan Ahmad

2014-07-01

Density functional theory (DFT) was used to elucidate the mechanism of n-butane hydrogenolysis (into propane, ethane, and methane) on well-defined zirconium hydrides supported on SBA15 coordinated to the surface via N-donor surface pincer ligands: [(≡SiNH-)(≡SiO-)ZrH2] (A), [(≡SiNH-)2ZrH2] (B), [(≡SiNH-)(≡SiO-) 2ZrH] (C), [(≡SiNH-)2(≡SiO-)ZrH] (D), [(≡SiN=)(≡Si-O-)ZrH] (E), and [(≡SiN=)(≡SiNH-)ZrH] (F). The roles of these hydrides have been investigated in C-H/C-C bond activation and cleavage. The dihydride A linked via a chelating [N,O] surface ligand was found to be more active than B, linked to the chelating [N,N] surface ligand. Moreover, the dihydride zirconium complexes are also more active than their corresponding monohydrides C-F. The C-C cleavage step occurs preferentially via β-alkyl transfer, which is the rate-limiting step in the alkane hydrogenolysis. The energetics of the comparative pathways over the potential energy surface diagram (PES) reveals the hydrogenolysis of n-butane into propane and ethane. © 2014 American Chemical Society.

Enhancing crystalline silicon solar cell efficiency with SixGe1-x layers

Science.gov (United States)

Ali, Adnan; Cheow, S. L.; Azhari, A. W.; Sopian, K.; Zaidi, Saleem H.

Crystalline silicon (c-Si) solar cell represents a cost effective, environment-friendly, and proven renewable energy resource. Industrially manufacturing of c-Si solar has now matured in terms of efficiency and cost. Continuing cost-effective efficiency enhancement requires transition towards thinner wafers in near term and thin-films in the long term. Successful implementation of either of these alternatives must address intrinsic optical absorption limitation of Si. Bandgap engineering through integration with SixGe1-x layers offers an attractive, inexpensive option. With the help of PC1D software, role of SixGe1-x layers in conventional c-Si solar cells has been intensively investigated in both wafer and thin film configurations by varying Ge concentration, thickness, and placement. In wafer configuration, increase in Ge concentration leads to enhanced absorption through bandgap broadening with an efficiency enhancement of 8% for Ge concentrations of less than 20%. At higher Ge concentrations, despite enhanced optical absorption, efficiency is reduced due to substantial lowering of open-circuit voltage. In 5-25-μm thickness, thin-film solar cell configurations, efficiency gain in excess of 30% is achievable. Therefore, SixGe1-x based thin-film solar cells with an order of magnitude reduction in costly Si material are ideally-suited both in terms of high efficiency and cost. Recent research has demonstrated significant improvement in epitaxially grown SixGe1-x layers on nanostructured Si substrates, thereby enhancing potential of this approach for next generation of c-Si based photovoltaics.

Impact of hydrodynamic interactions on protein folding rates depends on temperature

Science.gov (United States)

Zegarra, Fabio C.; Homouz, Dirar; Eliaz, Yossi; Gasic, Andrei G.; Cheung, Margaret S.

2018-03-01

We investigated the impact of hydrodynamic interactions (HI) on protein folding using a coarse-grained model. The extent of the impact of hydrodynamic interactions, whether it accelerates, retards, or has no effect on protein folding, has been controversial. Together with a theoretical framework of the energy landscape theory (ELT) for protein folding that describes the dynamics of the collective motion with a single reaction coordinate across a folding barrier, we compared the kinetic effects of HI on the folding rates of two protein models that use a chain of single beads with distinctive topologies: a 64-residue α /β chymotrypsin inhibitor 2 (CI2) protein, and a 57-residue β -barrel α -spectrin Src-homology 3 domain (SH3) protein. When comparing the protein folding kinetics simulated with Brownian dynamics in the presence of HI to that in the absence of HI, we find that the effect of HI on protein folding appears to have a "crossover" behavior about the folding temperature. This means that at a temperature greater than the folding temperature, the enhanced friction from the hydrodynamic solvents between the beads in an unfolded configuration results in lowered folding rate; conversely, at a temperature lower than the folding temperature, HI accelerates folding by the backflow of solvent toward the folded configuration of a protein. Additionally, the extent of acceleration depends on the topology of a protein: for a protein like CI2, where its folding nucleus is rather diffuse in a transition state, HI channels the formation of contacts by favoring a major folding pathway in a complex free energy landscape, thus accelerating folding. For a protein like SH3, where its folding nucleus is already specific and less diffuse, HI matters less at a temperature lower than the folding temperature. Our findings provide further theoretical insight to protein folding kinetic experiments and simulations.

Correlation between three color coordinates of human teeth

Science.gov (United States)

Lee, Yong-Keun

2014-11-01

The objective was to determine whether there were significant correlations in the three color coordinates within each of two color coordinate systems, such as the Commission Internationale de l'Eclairage (CIE) L*a*b* system, and the lightness, chroma, and hue angle system, of human vital teeth. The color of six maxillary and six mandibular anterior teeth was measured by the Shade Vision System. Pearson correlations between each pair of the color coordinates were determined (α=0.01). The influence of two color coordinates on the other color coordinate was determined with a multiple regression analysis (α=0.01). Based on correlation analyses, all the color coordinate pairs showed significant correlations except for the chroma and hue angle pair. The CIE L* was negatively correlated with the CIE a*, b*, and chroma, but positively correlated with the hue angle. The CIE a* was positively correlated with the CIE b* and chroma. Tooth color coordinates were correlated each other. Lighter teeth were less chromatic both in the CIE a* and b* coordinates. Therefore, it was postulated that the three color coordinates of human teeth were harmonized within certain color attribute ranges, and a lack of correlations in these coordinates might indicate external/internal discolorations and/or anomalies of teeth.

Characteristic evolutions in numerical relativity using six angular patches

International Nuclear Information System (INIS)

Reisswig, Christian; Bishop, Nigel T; Lai, Chi Wai; Thornburg, Jonathan; Szilagyi, Bela

2007-01-01

The characteristic approach to numerical relativity is a useful tool in evolving gravitational systems. In the past this has been implemented using two patches of stereographic angular coordinates. In other applications, a six-patch angular coordinate system has proved effective. Here we investigate the use of a six-patch system in characteristic numerical relativity, by comparing an existing two-patch implementation (using second-order finite differencing throughout) with a new six-patch implementation (using either second- or fourth-order finite differencing for the angular derivatives). We compare these different codes by monitoring the Einstein constraint equations, numerically evaluated independently from the evolution. We find that, compared to the (second-order) two-patch code at equivalent resolutions, the errors of the second-order six-patch code are smaller by a factor of about 2, and the errors of the fourth-order six-patch code are smaller by a factor of nearly 50

Characteristic evolutions in numerical relativity using six angular patches

Energy Technology Data Exchange (ETDEWEB)

Reisswig, Christian [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, D-14476 Golm (Germany); Bishop, Nigel T [Department of Mathematical Sciences, University of South Africa, PO Box 392, Unisa 0003, South Africa (South Africa); Lai, Chi Wai [Department of Mathematical Sciences, University of South Africa, PO Box 392, Unisa 0003, South Africa (South Africa); Thornburg, Jonathan [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, D-14476 Golm (Germany); Szilagyi, Bela [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, D-14476 Golm (Germany)

2007-06-21

The characteristic approach to numerical relativity is a useful tool in evolving gravitational systems. In the past this has been implemented using two patches of stereographic angular coordinates. In other applications, a six-patch angular coordinate system has proved effective. Here we investigate the use of a six-patch system in characteristic numerical relativity, by comparing an existing two-patch implementation (using second-order finite differencing throughout) with a new six-patch implementation (using either second- or fourth-order finite differencing for the angular derivatives). We compare these different codes by monitoring the Einstein constraint equations, numerically evaluated independently from the evolution. We find that, compared to the (second-order) two-patch code at equivalent resolutions, the errors of the second-order six-patch code are smaller by a factor of about 2, and the errors of the fourth-order six-patch code are smaller by a factor of nearly 50.

A hydrogel actuator with flexible folding deformation and shape programming via using sodium carboxymethyl cellulose and acrylic acid.

Science.gov (United States)

Wu, Shuiping; Yu, Feng; Dong, Hua; Cao, Xiaodong

2017-10-01

Hydrogel actuator is an intelligent material, which can work as artificial muscle. However, most present hydrogel actuators, due to the inferior mechanical property and uncontrolled folding property, have always resulted in slipping off or the failure of grasping an object with specific shape and required weight. In order to solve this problem, here a tough hydrogel actuator with programmable folding deformation has been prepared by combining the "selective implanting method" and "ionic coordination". The shape and folding angle (from 0 to 180 o ) of hydrogel actuator can be precisely controlled by altering the location and size of the implanting parts that seems like the joints of finger. The ionic coordination is not only the force to trigger the folding of hydrogel, but also utilized to reinforce the mechanical property. We believed the superior mechanical and shape-programmable property can endow the hydrogel actuator with great application prospect in soft machine. Copyright © 2017 Elsevier Ltd. All rights reserved.

Single injection of basic fibroblast growth factor to treat severe vocal fold lesions and vocal fold paralysis.

Science.gov (United States)

Kanazawa, Takeharu; Komazawa, Daigo; Indo, Kanako; Akagi, Yusuke; Lee, Yogaku; Nakamura, Kazuhiro; Matsushima, Koji; Kunieda, Chikako; Misawa, Kiyoshi; Nishino, Hiroshi; Watanabe, Yusuke

2015-10-01

Severe vocal fold lesions such as vocal fold sulcus, scars, and atrophy induce a communication disorder due to severe hoarseness, but a treatment has not been established. Basic fibroblast growth factor (bFGF) therapies by either four-time repeated local injections or regenerative surgery for vocal fold scar and sulcus have previously been reported, and favorable outcomes have been observed. In this study, we modified bFGF therapy using a single of bFGF injection, which may potentially be used in office procedures. Retrospective chart review. Five cases of vocal fold sulcus, six cases of scars, seven cases of paralysis, and 17 cases of atrophy were treated by a local injection of bFGF. The injection regimen involved injecting 50 µg of bFGF dissolved in 0.5 mL saline only once into the superficial lamina propria using a 23-gauge injection needle. Two months to 3 months after the injection, phonological outcomes were evaluated. The maximum phonation time (MPT), mean airflow rate, pitch range, speech fundamental frequency, jitter, and voice handicap index improved significantly after the bFGF injection. Furthermore, improvement in the MPT was significantly greater in patients with (in increasing order) vocal fold atrophy, scar, and paralysis. The improvement in the MPT among all patients was significantly correlated with age; the MPT improved more greatly in younger patients. Regenerative treatments by bFGF injection—even a single injection—effectively improve vocal function in vocal fold lesions. 4 © 2015 The American Laryngological, Rhinological and Otological Society, Inc.

Bilateral Vocal Fold Medialization: A Treatment for Abductor Spasmodic Dysphonia.

Science.gov (United States)

Dewan, Karuna; Berke, Gerald S

2017-11-10

Abductor spasmodic dysphonia, a difficult-to-treat laryngologic condition, is characterized by spasms causing the vocal folds to remain abducted despite efforts to adduct them during phonation. Traditional treatment for abductor spasmodic dysphonia-botulinum toxin injection into the posterior cricoarytenoid muscle-can be both technically challenging and uncomfortable. Due to the difficulty of needle placement, it is often unsuccessful. The purpose of this investigation is to present a previously undescribed treatment for abductor spasmodic dysphonia-bilateral vocal fold medialization. A retrospective case review of all cases of abductor spasmodic dysphonia treated in a tertiary care laryngology practice with bilateral vocal fold medialization over a 10-year period was performed. The Voice Handicap Index and the Voice-Related Quality of Life surveys were utilized to assess patient satisfaction with voice outcome. Six patients with abductor spasmodic dysphonia treated with bilateral vocal fold medialization were identified. Disease severity ranged from mild to severe. All six patients reported statistically significant improvement in nearly all Voice Handicap Index and Voice-Related Quality of Life parameters. They reported fewer voice breaks and greater ease of communication. Results were noted immediately and symptoms continue to be well controlled for many years following medialization. Bilateral vocal fold medialization is a safe and effective treatment for abductor spasmodic dysphonia. It is performed under local anesthesia and provides phonation improvement in the short and long term. Copyright © 2017 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

The Complexity of Folding Self-Folding Origami

Science.gov (United States)

Stern, Menachem; Pinson, Matthew B.; Murugan, Arvind

2017-10-01

Why is it difficult to refold a previously folded sheet of paper? We show that even crease patterns with only one designed folding motion inevitably contain an exponential number of "distractor" folding branches accessible from a bifurcation at the flat state. Consequently, refolding a sheet requires finding the ground state in a glassy energy landscape with an exponential number of other attractors of higher energy, much like in models of protein folding (Levinthal's paradox) and other NP-hard satisfiability (SAT) problems. As in these problems, we find that refolding a sheet requires actuation at multiple carefully chosen creases. We show that seeding successful folding in this way can be understood in terms of subpatterns that fold when cut out ("folding islands"). Besides providing guidelines for the placement of active hinges in origami applications, our results point to fundamental limits on the programmability of energy landscapes in sheets.

Testing insecticidal activity of novel chemically synthesized siRNA against Plutella xylostella under laboratory and field conditions.

Directory of Open Access Journals (Sweden)

Liang Gong

Full Text Available BACKGROUND: Over the last 60 years, synthetic chemical pesticides have served as a main tactic in the field of crop protection, but their availability is now declining as a result of the development of insect resistance. Therefore, alternative pest management agents are needed. However, the demonstration of RNAi gene silencing in insects and its successful usage in disrupting the expression of vital genes opened a door to the development of a variety of novel, environmentally sound approaches for insect pest management. METHODOLOGY/PRINCIPAL FINDINGS: Six small interfering RNAs (siRNAs were chemically synthesized and modified according to the cDNA sequence of P. xylostella acetylcholine esterase genes AChE1 and AChE2. All of them were formulated and used in insecticide activity screening against P. xylostella. Bioassay data suggested that Si-ace1_003 and Si-ace2_001 at a concentration of 3 µg cm(-2 displayed the best insecticidal activity with 73.7% and 89.0%, mortality, respectively. Additional bioassays were used to obtain the acute lethal concentrations of LC50 and LC90 for Si-ace2_001, which were 53.66 µg/ml and 759.71 µg/ml, respectively. Quantitative Real-time PCR was used to confirm silencing and detected that the transcript levels of P. xylostella AChE2 (PxAChE2 were reduced by 5.7-fold compared to the control group. Consequently, AChE activity was also reduced by 1.7-fold. Finally, effects of the siRNAs on treated plants of Brassica oleracea and Brassica alboglabra were investigated with different siRNA doses. Our results showed that Si-ace2_001 had no negative effects on plant morphology, color and growth of vein under our experimental conditions. CONCLUSIONS: The most important finding of this study is the discovery that chemically synthesized and modified siRNA corresponding to P. xylostella AChE genes cause significant mortality of the insect both under laboratory and field conditions, which provides a novel strategy to control P

Six-Coordinate Ln(III Complexes with Various Coordination Geometries Showing Distinct Magnetic Properties

Directory of Open Access Journals (Sweden)

Mei Guo

2018-01-01

Full Text Available The syntheses, structural characterization, and magnetic properties of three lanthanide complexes with formulas [Ln(L13] (Ln = Dy (1Dy; Er (1Er; and [Dy(L22] (2Dy were reported. Complexes 1Dy and 1Er are isostructural with the metal ion in distorted trigonal-prismatic coordination geometry, but exhibit distinct magnetic properties due to the different shapes of electron density for DyIII (oblate and ErIII (prolate ions. Complex 1Dy shows obvious SMM behavior under a zero direct current (dc field with an effective energy barrier of 31.4 K, while complex 1Er only features SMM behavior under a 400 Oe external field with an effective energy barrier of 23.96 K. In stark contrast, complex 2Dy with the octahedral geometry only exhibits the frequency dependence of alternating current (ac susceptibility signals without χ″ peaks under a zero dc field.

The Complexity of Folding Self-Folding Origami

Directory of Open Access Journals (Sweden)

Menachem Stern

2017-12-01

Full Text Available Why is it difficult to refold a previously folded sheet of paper? We show that even crease patterns with only one designed folding motion inevitably contain an exponential number of “distractor” folding branches accessible from a bifurcation at the flat state. Consequently, refolding a sheet requires finding the ground state in a glassy energy landscape with an exponential number of other attractors of higher energy, much like in models of protein folding (Levinthal’s paradox and other NP-hard satisfiability (SAT problems. As in these problems, we find that refolding a sheet requires actuation at multiple carefully chosen creases. We show that seeding successful folding in this way can be understood in terms of subpatterns that fold when cut out (“folding islands”. Besides providing guidelines for the placement of active hinges in origami applications, our results point to fundamental limits on the programmability of energy landscapes in sheets.

Traumatic chorioretinal folds treated with intra-vitreal triamcinolone injection

Directory of Open Access Journals (Sweden)

Kook Young Kim

2013-01-01

Full Text Available A 34-year-old male visited the hospital due to decreased visual acuity in the left eye following an injury from a car accident. In the left eye, best-corrected visual acuity (BCVA was hand motion and intraocular pressure (IOP was 8 mmHg. Choroidal vasodilation and chorioretinal folds were observed by spectral domain-optical coherence tomography (SD-OCT. Topical and systemic steroid treatments did not improve the chorioretinal folds. Twelve months after the injury, intra-vitreal triamcinolone (4 mg/0.1 ml was injected. Six months after intra-vitreal triamcinolone injection, BCVA in the left eye had improved to 20/100. Fundus examination showed improvement in retinal vascular tortuosity and SD-OCT revealed improvements in choroidal vasodilation and chorioretinal folds. Intra-vitreal triamcinolone injection (IVTI was effective against traumatic chorioretinal folds with no recurrence based on objective observation by fundus photography and SD-OCT.

Micro practices of coordination based on complex adaptive systems: user needs and strategies for coordinating public health in Denmark.

Science.gov (United States)

Terkildsen, Morten Deleuran; Wittrup, Inge; Burau, Viola

2015-01-01

Many highly formalised approaches to coordination poorly fit public health and recent studies call for coordination based on complex adaptive systems. Our contribution is two-fold. Empirically, we focus on public health, and theoretically we build on the patient perspective and treat coordination as a process of contingent, two-level negotiations of user needs. The paper draws on the concept of user needs-based coordination and sees coordination as a process, whereby needs emerging from the life world of the user are made amenable to the health system through negotiations. The analysis is based on an explorative case study of a health promotion initiative in Denmark. It adopts an anthropological qualitative approach and uses a range of qualitative data. The analysis identifies four strategies of coordination: the coordinator focusing on the individual user or on relations with other professionals; and the manager coaching the coordinator or providing structural support. Crucially, the coordination strategies by management remain weak as they do not directly relate to specific user needs. In process of bottom-up negotiations user needs become blurred and this is especially a challenge for management. The study therefore calls for an increased focus on the level nature of negotiations to bridge the gap that currently weakens coordination strategies by management.

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu2Si2

International Nuclear Information System (INIS)

Yamagami, Hiroshi

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu 2 Si 2 are reconsidered using a relativistic LAPW method within a local spin-density approximation, especially taking into account the lattice parameters dependent on pressures. The reduction of the z-coordinate of the Si sites results in the effect of flattening the Ru-Si layers of URu 2 Si 2 crystal structure, thus weakening a hybridization/mixing between the U-5f and Ru-4d states in the band structure. Consequently the 5f bands around the Fermi level are more flat in the dispersion with decreasing the z-coordinate, thus producing three closed Fermi surfaces like 'curing-stone', 'rugby-ball' and 'ball'. The origins of de Haas-van Alphen branches can be qualitatively interpreted from the obtained AFM Fermi surfaces.

Rietveld refinement of the orthorhombic Pbca structures of Rb2CdSi5O12, Cs2MnSiO5O12, Cs2CoSi5O12 and Cs2NiSi5O12 leucites by synchrotron X-ray powder diffraction

International Nuclear Information System (INIS)

Bell, A.M.T.; Henderson, C.M.B.

1996-01-01

Analysis of high-resolution synchrotron X-ray powder diffraction patterns for hydrothermally synthesized Rb 2 CdSi 5 O 12 and Cs 2 MnSi 5 O 12 leucite analogues, and dry-synthesized Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite analogues showed that they have an orthorhombic Pbca structure. The structures have been refined by the Rietveld method, showing that the tetrahedrally coordinated atoms (Si, Cd, Mn, Co and Ni) are ordered on separate sites. The Cs 2 MnSi 5 O 12 , Cs 2 CoSi 5 O 12 and Cs 2 NiSi 5 O 12 leucite samples are unusual in containing SiO 4 tetrahedra which are more distorted, on average, than the larger MnO 4 , CoO 4 and NiO 4 tetrahedra. The JCPDS file numbers for Rb 2 CdSi 5 O 12 , Cs 2 MnSi 5 O 12 and Cs 2 CoSi 5 O 12 are 46-1491, 46-1492 and 46-1493, respectively. (orig.)

The effects of synchrotron x-rays on the local structure and the recrystallization of ion-damaged Si

Energy Technology Data Exchange (ETDEWEB)

Kin Man Yu; Lei Wang; Walukiewicz, W. [Lawrence Berkeley National Lab., CA (United States)

1997-04-01

Ion implantation is used extensively as a routine, controllable and reproducible doping technique for semiconductor processing. In Si, the amorphization by ion beams as well as the subsequent thermally induced solid phase epitaxy (SPE) and the electrical activation of the implanted dopants have been studied extensively. It has been well established that the SPE of amorphous Si ({alpha}-Si) layers created by implantation is initiated by thermal annealing at temperatures {ge} 400{degrees}C and proceeds in a planar fashion. The kinetics of the SPE process was found to follow an Arrhenius equation with an activation energy of 2.7eV. Various models have been proposed to explain the SPE process. In most cases, the mechanism leading to SPE is expected to involve the formation and/or motion of defects at or near the amorphous/crystalline interface. In this work the authors explore the effects of an intense x-ray beam generated by a synchrotron source on the SPE process of ion amorphized Si layers. A layer of amorphous Si was created near the surface of a single crystal Si to a depth of {approximately}2000{Angstrom} by 180keV Zn ion implantation. The sample was then irradiated at beam line 10-3 (microprobe beamline) at the Advance Light Source (ALS) for 5-16 hours. For 5-16 hours irradiation, the total photons absorbed by the {alpha}-Si film was {approximately}0.3-1 photon/Si atom (for 4keV photons). The authors find that in ion amorphized Si layers, although the ion dose is well above the amorphization threshold, small crystallites are still present. The absorption of x-ray by the Si atoms provides enough energy to disperse the small crystallites in the amorphous Si, reducing the number of interfacial defects as well as locally re-arrange the atoms to form a homogeneously amorphous layer with close to four-fold coordinated environment. This rearrangement in local structure of the {alpha}-Si results in nearly a defect-free crystal after SPE.

Electron diffraction study of {alpha}-AlMnSi crystals including non-crystallographic axes

Energy Technology Data Exchange (ETDEWEB)

Song, G.L.; Bursill, L.A.

1997-06-01

The structure of crystalline {alpha}-AlMnSi is examined by electron diffraction. Six distinct zone axes are examined, including both normal crystallographic and non-crystallographic zones axes, allowing the space group symmetry to be studied. Electron diffraction patterns characteristic of Pm3-bar were obtained for thicker specimens. However, for very thin specimens, as used for HRTEM imaging, the electron diffraction patterns were characteristic of Im3-bar space group symmetry. The structural basis of the Pm3-bar to Im3-bar transformation may be understood in terms of an analysis of the icosahedral structural elements located at the corners and body-centers of the cubic unit cell. A method for indexing the non-crystallographic zone axis diffraction patterns is described. An electron diffraction pattern of the 5-fold axis of the quasicrystalline phase i-AlMnSi is also included; this is compared with the experimental results and calculations for the [0{tau}1] axis of Pm3-bar and Im3-bar crystalline phases. 26 refs., 4 tabs., 7 figs.

First-principles study of the structural and dynamic properties of the liquid and amorphous Li–Si alloys

Energy Technology Data Exchange (ETDEWEB)

Chiang, Han-Hsin; Kuo, Chin-Lung, E-mail: chinlung@ntu.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Lu, Jian-Ming [National Center for High-Performance Computing, Tainan 74147, Taiwan (China)

2016-01-21

We have performed density functional theory calculations and ab initio molecular dynamics to investigate the structures and dynamic properties of the liquid and amorphous Li{sub x}Si alloys over a range of composition from x = 1.0 − 4.8. Our results show that Si atoms can form a variety of covalently bonded polyanions with diverse local bonding structures in the liquid alloys. Like in c-LiSi, Si atoms can form a continuous bond network in liquid Li{sub 1.0}Si at 1050 K, while it gradually disintegrates into many smaller Si polyanions as the Li content increases in the alloys. The average sizes of Si polyanions in these liquid alloys were found to be relatively larger than those in their crystalline counterparts, which can even persist in the highly lithiated Li{sub 4.81}Si alloy at 1500 K. Our results also show that amorphous Li{sub x}Si alloys have similar local bonding structures but a largely increased short-range order as compared to their liquid counterparts. The differences between the average coordination number of each atomic pair in amorphous solids and that in the liquids are less than 1.1. Furthermore, our calculations reveal that Li and Si atoms can exhibit very distinct dynamic behaviors in the liquids and their diffusivities appear to be largely dependent on the chemical composition of the alloys. The diffusivity of Li was found to increase with the Li content in the alloys primarily because of the reduced interactions between Li and Si atoms, while the Si diffusivity also increases due to the gradual disintegration of the strongly interconnected Si bond network. The diffusivity of Li in amorphous Li{sub x}Si was predicted to lie in the range between 10{sup −7} and 10{sup −9} cm{sup 2}/s at 300 K, which is more than 20-fold larger than that of Si over the composition range considered. Our calculations further show that the diffusivities of both Li and Si can increase by two orders of magnitude as x increases from 1.0 to 3.57 in amorphous Li

Therapeutic potential of gel-based injectables for vocal fold regeneration

Science.gov (United States)

Bartlett, Rebecca S.; Thibeault, Susan L.; Prestwich, Glenn D.

2012-01-01

Vocal folds are anatomically and biomechanically unique, thus complicating the design and implementation of tissue engineering strategies for repair and regeneration. Integration of an enhanced understanding of tissue biomechanics, wound healing dynamics and innovative gel-based therapeutics has generated enthusiasm for the notion that an efficacious treatment for vocal fold scarring could be clinically attainable within several years. Fibroblast phenotype and gene expression are mediated by the three-dimensional mechanical and chemical microenvironment at an injury site. Thus, therapeutic approaches need to coordinate spatial and temporal aspects of the wound healing response in an injured vocal tissue to achieve an optimal clinical outcome. Successful gel-based injectables for vocal fold scarring will require a keen understanding of how the native inflammatory response sets into motion the later extracellular matrix remodeling, which in turn will determine the ultimate biomechanical properties of the tissue. We present an overview of the challenges associated with this translation as well as the proposed gel-based injectable solutions. PMID:22456756

Therapeutic potential of gel-based injectables for vocal fold regeneration

International Nuclear Information System (INIS)

Bartlett, Rebecca S; Thibeault, Susan L; Prestwich, Glenn D

2012-01-01

Vocal folds are anatomically and biomechanically unique, thus complicating the design and implementation of tissue engineering strategies for repair and regeneration. Integration of an enhanced understanding of tissue biomechanics, wound healing dynamics and innovative gel-based therapeutics has generated enthusiasm for the notion that an efficacious treatment for vocal fold scarring could be clinically attainable within several years. Fibroblast phenotype and gene expression are mediated by the three-dimensional mechanical and chemical microenvironment at an injury site. Thus, therapeutic approaches need to coordinate spatial and temporal aspects of the wound healing response in an injured vocal tissue to achieve an optimal clinical outcome. Successful gel-based injectables for vocal fold scarring will require a keen understanding of how the native inflammatory response sets into motion the later extracellular matrix remodeling, which in turn will determine the ultimate biomechanical properties of the tissue. We present an overview of the challenges associated with this translation as well as the proposed gel-based injectable solutions. (paper)

Micro practices of coordination based on complex adaptive systems: user needs and strategies for coordinating public health in Denmark

Directory of Open Access Journals (Sweden)

Morten Deleuran Terkildsen

2015-09-01

Full Text Available Introduction: Many highly formalised approaches to coordination poorly fit public health and recent studies call for coordination based on complex adaptive systems. Our contribution is two-fold. Empirically, we focus on public health, and theoretically we build on the patient perspective and treat coordination as a process of contingent, two-level negotiations of user needs.Theory and Methods: The paper draws on the concept of user needs-based coordination and sees coordination as a process, whereby needs emerging from the life world of the user are made amenable to the health system through negotiations. The analysis is based on an explorative case study of a health promotion initiative in Denmark. It adopts an anthropological qualitative approach and uses a range of qualitative data.Results: The analysis identifies four strategies of coordination: the coordinator focusing on the individual user or on relations with other professionals; and the manager coaching the coordinator or providing structural support. Crucially, the coordination strategies by management remain weak as they do not directly relate to specific user needs.Discussion: In process of bottom-up negotiations user needs become blurred and this is especially a challenge for management. The study therefore calls for an increased focus on the level nature of negotiations to bridge the gap that currently weakens coordination strategies by management.

Origin and Luminescence of Anomalous Red-Emitting Center in Rhombohedral Ba9Lu2Si6O24:Eu(2+) Blue Phosphor.

Science.gov (United States)

Liu, Yongfu; Zhang, Changhua; Cheng, Zhixuan; Zhou, Zhi; Jiang, Jun; Jiang, Haochuan

2016-09-06

We obtain a blue phosphor, Ba9Lu2Si6O24:Eu(2+) (BLS:Eu(2+)), which shows a strong emission peak at 460 nm and a weak tail from 460 to 750 nm. A 610 nm red emission is observed for the first time in this kind of rhombohedral structure material, which is much different from the same crystal structure of Ba9Sc2Si6O24:Eu(2+) and Ba9Y2Si6O24:Eu(2+). The luminescence properties and decays from 10 to 550 K are discussed. The new red emission arises from a trapped exciton state of Eu(2+) at the Ba site with a larger coordination number (12-fold). It exhibits abnormal luminescence properties with a broad bandwidth and a large Stokes shift. Under the 400 nm excitation, the external quantum efficiency of BLS:Eu(2+) is 45.4%, which is higher than the 35.7% for the commercial blue phosphor BAM:Eu(2+). If the thermal stability of BLS:Eu(2+) can be improved, it will show promising applications in efficient near-UV-based white LEDs.

Laryngeal ultrasound and pediatric vocal fold nodules.

Science.gov (United States)

Ongkasuwan, Julina; Devore, Danielle; Hollas, Sarah; Jones, Jeremy; Tran, Brandon

2017-03-01

The term vocal fold nodules refers to bilateral thickening of the membranous folds with minimal impairment of the vibratory properties of the mucosa. Nodules are thought to be related to repetitive mechanical stress, associated with voice use patterns. Diagnosis is typically made in the office via either rigid or flexible laryngeal stroboscopy. Depending on the individual child, obtaining an optimal view of the larynx can be difficult if not impossible. Recent advances in high-frequency ultrasonography allows for transcervical examination of laryngeal structures. The goal of this project was to determine if laryngeal ultrasound (LUS) can be used to identify vocal fold nodules in dysphonic children. Prospective case-control study in which the patient acted as his or her own control. Forty-six pediatric patients were recruited for participation in this study; the mean age was 4.8 years. Twenty-three did not have any vocal fold lesions and 23 had a diagnosis of vocal fold nodules on laryngeal stroboscopy. Recorded LUSs were reviewed by two pediatric radiologists who were blinded to the nodule status. There was substantial inter-rater agreement (κ = 0.70, 95% confidence interval [CI]: 0.50-0.89) between the two radiologists regarding the presence of nodules. There was also substantial agreement (κ = 0.87, 95% CI: 0.72-1) between LUS and laryngeal stroboscopy. Sensitivity of LUS was 100% (95% CI: 85%-100%) and specificity was 87% (95% CI: 66%-97%). LUS can be used to identify vocal fold nodules in children with substantial agreement with laryngeal stroboscopy. 3b Laryngoscope, 127:676-678, 2017. © 2016 The American Laryngological, Rhinological and Otological Society, Inc.

Interferences of Silica Nanoparticles in Green Fluorescent Protein Folding Processes.

Science.gov (United States)

Klein, Géraldine; Devineau, Stéphanie; Aude, Jean Christophe; Boulard, Yves; Pasquier, Hélène; Labarre, Jean; Pin, Serge; Renault, Jean Philippe

2016-01-12

We investigated the relationship between unfolded proteins, silica nanoparticles and chaperonin to determine whether unfolded proteins could stick to silica surfaces and how this process could impair heat shock protein activity. The HSP60 catalyzed green fluorescent protein (GFP) folding was used as a model system. The adsorption isotherms and adsorption kinetics of denatured GFP were measured, showing that denaturation increases GFP affinity for silica surfaces. This affinity is maintained even if the surfaces are covered by a protein corona and allows silica NPs to interfere directly with GFP folding by trapping it in its unstructured state. We determined also the adsorption isotherms of HSP60 and its chaperonin activity once adsorbed, showing that SiO2 NP can interfere also indirectly with protein folding through chaperonin trapping and inhibition. This inhibition is specifically efficient when NPs are covered first with a layer of unfolded proteins. These results highlight for the first time the antichaperonin activity of silica NPs and ask new questions about the toxicity of such misfolded proteins/nanoparticles assembly toward cells.

Monitoring treatment of vocal fold paralysis by biomechanical analysis of voice

OpenAIRE

Gómez Vilda, Pedro; Martínez de Arellano, Ana; Nieto Lluis, Victor; Rodellar Biarge, M. Victoria; Álvarez Marquina, Agustin; Mazaira Fernández, Luis Miguel

2013-01-01

A case study of vocal fold paralysis treatment is described with the help of the voice quality analysis application BioMet®Phon. The case corresponds to a description of a 40 - year old female patient who was diagnosed of vocal fold paralysis following a cardio - pulmonar intervention which required intubation for 8 days and posterior tracheotomy for 15 days. The patient presented breathy and asthenic phon ation, and dysphagia. Six main examinations were conducted during a full year period th...

Flips for 3-folds and 4-folds

CERN Document Server

Corti, Alessio

2007-01-01

This edited collection of chapters, authored by leading experts, provides a complete and essentially self-contained construction of 3-fold and 4-fold klt flips. A large part of the text is a digest of Shokurov's work in the field and a concise, complete and pedagogical proof of the existence of 3-fold flips is presented. The text includes a ten page glossary and is accessible to students and researchers in algebraic geometry.

Targeted transtracheal stimulation for vocal fold closure.

Science.gov (United States)

Hadley, Aaron J; Thompson, Paul; Kolb, Ilya; Hahn, Elizabeth C; Tyler, Dustin J

2014-06-01

Paralysis of the structures in the head and neck due to stroke or other neurological disorder often causes dysphagia (difficulty in swallowing). Patients with dysphagia have a significantly higher incidence of aspiration pneumonia and death. The recurrent laryngeal nerve (RLN), which innervates the intrinsic laryngeal muscles that control the vocal folds, travels superiorly in parallel to the trachea in the tracheoesophageal groove. This study tests the hypothesis that functional electrical stimulation (FES) applied via transtracheal electrodes can produce controlled vocal fold adduction. Bipolar electrodes were placed at 15° intervals around the interior mucosal surface of the canine trachea, and current was applied to the tissue while electromyography (EMG) from the intrinsic laryngeal muscles and vocal fold movement visualization via laryngoscopy were recorded. The lowest EMG thresholds were found at an average location of 100° to the left of the ventral midsagittal line and 128° to the right. A rotatable pair of bipolar electrodes spaced 230° apart were able to stimulate bilaterally both RLNs in every subject. Laryngoscopy showed complete glottal closure with transtracheal stimulation in six of the eight subjects, and this closure was maintained under simultaneous FES-induced laryngeal elevation. Transtracheal stimulation is an effective tool for minimally invasive application of FES to induce vocal fold adduction, providing an alternative mechanism to study airway protection.

Integration of Six Sigma and ISM to improve Supply Chain Coordination – A conceptual framework

Directory of Open Access Journals (Sweden)

Pratima Mishra

2015-01-01

Full Text Available To achieve competitiveness and to improve supply chain performance, supply chain coordination (SCC is considered as a key challenge by the companies to satisfy their customers. In today’s turbulent economic environment, SCC is a topic of great significance among business houses because SCC creates understanding, molds human behavior and improve competitiveness.  As observed from literature that the dynamics of global market has resulted in serious pressure and distraction to activities of various supply chain entities i.e. suppliers, manufacturer, distributors, wholesaler, retailers and customers, which ultimately affects the SC performance. Thus, supply chains are exposed to risks due to uncertain and turbulent economic environment. To overcome these challenges, authors in this study developed a conceptual framework for knowledge management based on Six Sigma and ISM which can be used to study various supply chain dimensions be it human, process or quality dimensions. The main advantage of this framework is that it not only helps to understand information regarding the strength and weaknesses of various supply chain entities in a supply chain but also helps to determine the structural relationship among key dimensions of interest. The proposed framework can be applied by industries to model and analyze their processes effectively, compare their performance both within and outside their industry segment and thus improve competitiveness by following knowledge management practices.

Ca-Dependent Folding of Human Calumenin

Science.gov (United States)

Mazzorana, Marco; Hussain, Rohanah; Sorensen, Thomas

2016-01-01

Human calumenin (hCALU) is a six EF-hand protein belonging to the CREC family. As other members of the family, it is localized in the secretory pathway and regulates the activity of SERCA2a and of the ryanodine receptor in the endoplasmic reticulum (ER). We have studied the effects of Ca2+ binding to the protein and found it to attain a more compact structure upon ion binding. Circular Dichroism (CD) measurements suggest a major rearrangement of the protein secondary structure, which reversibly switches from disordered at low Ca2+ concentrations to predominantly alpha-helical when Ca2+ is added. SAXS experiments confirm the transition from an unfolded to a compact structure, which matches the structural prediction of a trilobal fold. Overall our experiments suggest that calumenin is a Ca2+ sensor, which folds into a compact structure, capable of interacting with its molecular partners, when Ca2+ concentration within the ER reaches the millimolar range. PMID:26991433

RNA folding: structure prediction, folding kinetics and ion electrostatics.

Science.gov (United States)

Tan, Zhijie; Zhang, Wenbing; Shi, Yazhou; Wang, Fenghua

2015-01-01

Beyond the "traditional" functions such as gene storage, transport and protein synthesis, recent discoveries reveal that RNAs have important "new" biological functions including the RNA silence and gene regulation of riboswitch. Such functions of noncoding RNAs are strongly coupled to the RNA structures and proper structure change, which naturally leads to the RNA folding problem including structure prediction and folding kinetics. Due to the polyanionic nature of RNAs, RNA folding structure, stability and kinetics are strongly coupled to the ion condition of solution. The main focus of this chapter is to review the recent progress in the three major aspects in RNA folding problem: structure prediction, folding kinetics and ion electrostatics. This chapter will introduce both the recent experimental and theoretical progress, while emphasize the theoretical modelling on the three aspects in RNA folding.

ORIGAMI: DELINEATING HALOS USING PHASE-SPACE FOLDS

Energy Technology Data Exchange (ETDEWEB)

Falck, Bridget L.; Neyrinck, Mark C.; Szalay, Alexander S. [Department of Physics and Astronomy, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD 21218 (United States)

2012-08-01

We present the ORIGAMI method of identifying structures, particularly halos, in cosmological N-body simulations. Structure formation can be thought of as the folding of an initially flat three-dimensional manifold in six-dimensional phase space. ORIGAMI finds the outer folds that delineate these structures. Halo particles are identified as those that have undergone shell-crossing along three orthogonal axes, providing a dynamical definition of halo regions that is independent of density. ORIGAMI also identifies other morphological structures: particles that have undergone shell-crossing along 2, 1, or 0 orthogonal axes correspond to filaments, walls, and voids, respectively. We compare this method to a standard friends-of-friends halo-finding algorithm and find that ORIGAMI halos are somewhat larger, more diffuse, and less spherical, though the global properties of ORIGAMI halos are in good agreement with other modern halo-finding algorithms.

ORIGAMI: DELINEATING HALOS USING PHASE-SPACE FOLDS

International Nuclear Information System (INIS)

Falck, Bridget L.; Neyrinck, Mark C.; Szalay, Alexander S.

2012-01-01

We present the ORIGAMI method of identifying structures, particularly halos, in cosmological N-body simulations. Structure formation can be thought of as the folding of an initially flat three-dimensional manifold in six-dimensional phase space. ORIGAMI finds the outer folds that delineate these structures. Halo particles are identified as those that have undergone shell-crossing along three orthogonal axes, providing a dynamical definition of halo regions that is independent of density. ORIGAMI also identifies other morphological structures: particles that have undergone shell-crossing along 2, 1, or 0 orthogonal axes correspond to filaments, walls, and voids, respectively. We compare this method to a standard friends-of-friends halo-finding algorithm and find that ORIGAMI halos are somewhat larger, more diffuse, and less spherical, though the global properties of ORIGAMI halos are in good agreement with other modern halo-finding algorithms.

Theoretical reconsideration of antiferromagnetic Fermi surfaces in URu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Yamagami, Hiroshi, E-mail: yamagami@cc.kyoto-su.ac.jp [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan)

2011-01-01

In an itinerant 5f-band model, the antiferromagnetic (AFM) Fermi surfaces of URu{sub 2}Si{sub 2} are reconsidered using a relativistic LAPW method within a local spin-density approximation, especially taking into account the lattice parameters dependent on pressures. The reduction of the z-coordinate of the Si sites results in the effect of flattening the Ru-Si layers of URu{sub 2}Si{sub 2} crystal structure, thus weakening a hybridization/mixing between the U-5f and Ru-4d states in the band structure. Consequently the 5f bands around the Fermi level are more flat in the dispersion with decreasing the z-coordinate, thus producing three closed Fermi surfaces like 'curing-stone', 'rugby-ball' and 'ball'. The origins of de Haas-van Alphen branches can be qualitatively interpreted from the obtained AFM Fermi surfaces.

Control of Ge1-x-ySixSny layer lattice constant for energy band alignment in Ge1-xSnx/Ge1-x-ySixSny heterostructures

Science.gov (United States)

Fukuda, Masahiro; Watanabe, Kazuhiro; Sakashita, Mitsuo; Kurosawa, Masashi; Nakatsuka, Osamu; Zaima, Shigeaki

2017-10-01

The energy band alignment of Ge1-xSnx/Ge1-x-ySixSny heterostructures was investigated, and control of the valence band offset at the Ge1-xSnx/Ge1-x-ySixSny heterointerface was achieved by controlling the Si and Sn contents in the Ge1-x-ySixSny layer. The valence band offset in the Ge0.902Sn0.098/Ge0.41Si0.50Sn0.09 heterostructure was evaluated to be as high as 330 meV, and its conduction band offset was estimated to be 150 meV by considering the energy bandgap calculated from the theoretical prediction. In addition, the formation of the strain-relaxed Ge1-x-ySixSny layer was examined and the crystalline structure was characterized. The epitaxial growth of a strain-relaxed Ge0.64Si0.21Sn0.15 layer with the degree of strain relaxation of 55% was examined using a virtual Ge substrate. Moreover, enhancement of the strain relaxation was demonstrated by post-deposition annealing, where a degree of strain relaxation of 70% was achieved after annealing at 400 °C. These results indicate the possibility for enhancing the indirect-direct crossover with a strained and high-Sn-content Ge1-xSnx layer on a strain-relaxed Ge1-x-ySixSny layer, realizing preferable carrier confinement by type-I energy band alignment with high conduction and valence band offsets.

Reactivity of the Donor-Stabilized Silylenes [iPrNC(Ph)NiPr]2 Si and [iPrNC(NiPr2 )NiPr]2 Si: Activation of CO2 and CS2.

Science.gov (United States)

Mück, Felix M; Baus, Johannes A; Nutz, Marco; Burschka, Christian; Poater, Jordi; Bickelhaupt, F Matthias; Tacke, Reinhold

2015-11-09

Activation of CO2 by the bis(amidinato)silylene 1 and the analogous bis(guanidinato)silylene 2 leads to the structurally analogous six-coordinate silicon(IV) complexes 4 (previous work) and 8, respectively, the first silicon compounds with a chelating carbonato ligand. Likewise, CS2 activation by silylene 1 affords the analogous six-coordinate silicon(IV) complex 10, the first silicon compound with a chelating trithiocarbonato ligand. CS2 activation by silylene 2, however, yields the five-coordinate silicon(IV) complex 13 with a carbon-bound CS2 (2-) ligand, which also represents an unprecedented coordination mode in silicon coordination chemistry. Treatment of the dinuclear silicon(IV) complexes 5 and 6 with CO2 also affords the six-coordinate carbonatosilicon(IV) complexes 4 and 8, respectively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and Crystal Structure of a New Ruthenium Silicophosphate: RuP 3SiO 11

Science.gov (United States)

Fukuoka, Hiroshi; Imoto, Hideo; Saito, Taro

1996-01-01

A new ruthenium silicophosphate RuP3SiO11was obtained and the structure was determined by single-crystal X-ray diffraction. It crystallizes in the trigonal space groupR3cwitha= 8.253(3)Å,c= 39.317(4)Å,V= 2319(2)Å3,Z= 12,R= 0.029, andRW= 0.026. The structure is composed of RuO6, Si2O7, and P2O7units. The Si2O7unit shares the six oxygen atoms with six P2O7units, while the P2O7unit shares the six oxygen atoms with two Si2O7units and four RuO6octahedra. The anionic part forms an infinite three-dimensional network of silicophosphate. RuP3SiO11is isotypic with MoP3SiO11.

Collaborative Supply Chain Planning and Coordination

DEFF Research Database (Denmark)

Wong, Chee Yew

products, differentiating retailers, accurate response (with forecast adjustment and premature replenishment), quick response (order-penetration-point relocation and lead-time reduction). These analyses extend the Fisher Model of responsiveness and refine six propositions or principles of responsiveness...... processes, particularly the behaviour of risk-taking/avoidance, conflict resolutions, and self-interest. All these lead to conclusion of five propositions or principles of supply chain coordination, and the theory of coordination process and behaviour. Combining the propositions of responsiveness...

Self-organization and mismatch tolerance in protein folding: General theory and an application

Science.gov (United States)

Fernández, Ariel; Berry, R. Stephen

2000-03-01

The folding of a protein is a process both expeditious and robust. The analysis of this process presented here uses a coarse, discretized representation of the evolving form of the backbone chain, based on its torsional states. This coarse description consists of discretizing the torsional coordinates modulo the Ramachandran basins in the local softmode dynamics. Whenever the representation exhibits "contact patterns" that correspond to topological compatibilities with particular structural forms, secondary and then tertiary, the elements constituting the pattern are effectively entrained by a reduction of their rates of exploration of their discretized configuration space. The properties "expeditious and robust" imply that the folding protein must have some tolerance to both torsional "frustrated" and side-chain contact mismatches which may occur during the folding process. The energy-entropy consequences of the staircase or funnel topography of the potential surface should allow the folding protein to correct these mismatches, eventually. This tolerance lends itself to an iterative pattern-recognition-and-feedback description of the folding process that reflects mismatched local torsional states and hydrophobic/polar contacts. The predictive potential of our algorithm is tested by application to the folding of bovine pancreatic trypsin inhibitor (BPTI), a protein whose ability to form its active structure is contingent upon its frustration tolerance.

Synthesis, structures and electroluminescence properties of CdS:In/Si nanoheterostructure array

Energy Technology Data Exchange (ETDEWEB)

Yan, Ling Ling; Cai, Hong Xin; Chen, Liang [Henan Polytechnic University, School of Physics and Electronic Information Engineering, Jiaozuo (China)

2017-10-15

An In-doped CdS/Si nanoheterojunction (CdS:In/Si-NPA) is prepared by depositing an In-doped CdS thin film onto a Si nanoporous pillar array (Si-NPA) via a successive ionic layer adsorption and reaction method. Based on the measured J-V characteristic curve, the nanoheterojunction exhibits a good rectifying behavior with a low forward turn-on voltage (2.2 V), a small leakage current density (0.5 mA/cm{sup 2} at - 3 V) and a high reverse breakdown voltage (> 8 V). The electroluminescence (EL) measurements reveal that a broadband emerges between 400 and 700 nm, and this band is confirmed as a white light emission based on the value of the chromaticity coordinate. The EL properties, including the CIE chromaticity coordinates, Colour Rendering Index and correlated color temperature, can be tuned by the applied voltage. The generation mechanism of the EL can be well interpreted depending on the energy band structure of CdS:In/Si-NPA. The green band should be attributed to the band-edge emission of CdS and the yellow emission may be related to Cd interstitial. These results highlight the potential of CdS:In/Si-NPA as a light source for future white light emitting devices. (orig.)

On the Mass Fractal Character of Si-Based Structural Networks in Amorphous Polymer Derived Ceramics

Directory of Open Access Journals (Sweden)

Sabyasachi Sen

2015-03-01

Full Text Available The intermediate-range packing of SiNxC4−x (0 ≤ x ≤ 4 tetrahedra in polysilycarbodiimide and polysilazane-derived amorphous SiCN ceramics is investigated using 29Si spin-lattice relaxation nuclear magnetic resonance (SLR NMR spectroscopy. The SiCN network in the polysilylcarbodiimide-derived ceramic consists predominantly of SiN4 tetrahedra that are characterized by a 3-dimensional spatial distribution signifying compact packing of such units to form amorphous Si3N4 clusters. On the other hand, the SiCN network of the polysilazane-derived ceramic is characterized by mixed bonded SiNxC4−x tetrahedra that are inefficiently packed with a mass fractal dimension of Df ~2.5 that is significantly lower than the embedding Euclidean dimension (D = 3. This result unequivocally confirms the hypothesis that the presence of dissimilar atoms, namely, 4-coordinated C and 3-coordinated N, in the nearest neighbor environment of Si along with some exclusion in connectivity between SiCxN4−x tetrahedra with widely different N:C ratios and the absence of bonding between C and N result in steric hindrance to an efficient packing of these structural units. It is noted that similar inefficiencies in packing are observed in polymer-derived amorphous SiOC ceramics as well as in proteins and binary hard sphere systems.

Applications of chiroptical spectroscopy to coordination compounds

Czech Academy of Sciences Publication Activity Database

Wu, Tao; You, X. Z.; Bouř, Petr

2015-01-01

Roč. 284, SI (2015), s. 1-18 ISSN 0010-8545 R&D Projects: GA ČR GA13-03978S; GA ČR GAP208/11/0105 Grant - others:GA AV ČR(CZ) M200550902 Institutional support: RVO:61388963 Keywords : chirality * coordination compounds * chiroptical spectroscopy * new materials Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 12.994, year: 2015

Revision of the Li13Si4 structure.

Science.gov (United States)

Zeilinger, Michael; Fässler, Thomas F

2013-11-06

Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li-Si system is the phase Li13Si4 (trideca-lithium tetra-silicide), the structure of which has been determined previously [Frank et al. (1975 ▶). Z. Naturforsch. Teil B, 30, 10-13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i) the introduction of a split position for one Li site [occupancy ratio 0.838 (7):0.162 (7)], (ii) the anisotropic refinement of atomic displacement parameters for all atoms, and (iii) a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si-Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si-Si dumbbells at z = 0.5.

Investigation of the vibration spectrum of SbSI crystals in harmonic and in anharmonic approximations

International Nuclear Information System (INIS)

Audzijonis, A.; Zigas, L.; Vinokurova, I.V.; Farberovic, O.V.; Zaltauskas, R.; Cijauskas, E.; Pauliukas, A.; Kvedaravicius, A.

2006-01-01

The force constants of SbSI crystal have been calculated by the pseudo-potential method. The frequencies and normal coordinates of SbSI vibration modes along the c (z) direction have been determined in harmonic approximation. The potential energies of SbSI normal modes dependence on normal coordinates along the c (z) direction V(z) have been determined in anharmonic approximation, taking into account the interaction between the phonons. It has been found, that in the range of 30-120 cm -1 , the vibrational spectrum is determined by a V(z) double-well normal mode, but in the range of 120-350 cm -1 , it is determined by a V(z) single-well normal mode

Construction of Six Coordination Polymers Based on a 5,5′-(1,2-Ethynyl)bis-1,3-benzenedicarboxylic Ligand: Synthesis, Structure, Gas Sorption, and Magnetic Properties

KAUST Repository

Zheng, Bing; Luo, Jiahuan; Wang, Fang; Peng, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling

2013-01-01

Six novel coordination polymers based on a multifunctional ligand, 5,5'-(1,2-ethynyl)bis-1,3-benzenedicarboxylic (H4EBDC), namely, |(C3H7NO)2(H2O)7(C 2H5OH)3| [Zn2(C18H 6O8)(C10H8N2) 2] (1), |(C3H7NO)3(H2O)30- (CH3CN)2|[Zn 6(C18H6O8)3(C 6H12N2O2)2

On the Mass Fractal Character of Si-Based Structural Networks in Amorphous Polymer Derived Ceramics.

Science.gov (United States)

Sen, Sabyasachi; Widgeon, Scarlett

2015-03-17

The intermediate-range packing of SiN x C 4- x (0 ≤ x ≤ 4) tetrahedra in polysilycarbodiimide and polysilazane-derived amorphous SiCN ceramics is investigated using 29 Si spin-lattice relaxation nuclear magnetic resonance (SLR NMR) spectroscopy. The SiCN network in the polysilylcarbodiimide-derived ceramic consists predominantly of SiN₄ tetrahedra that are characterized by a 3-dimensional spatial distribution signifying compact packing of such units to form amorphous Si₃N₄ clusters. On the other hand, the SiCN network of the polysilazane-derived ceramic is characterized by mixed bonded SiN x C 4- x tetrahedra that are inefficiently packed with a mass fractal dimension of D f ~2.5 that is significantly lower than the embedding Euclidean dimension ( D = 3). This result unequivocally confirms the hypothesis that the presence of dissimilar atoms, namely, 4-coordinated C and 3-coordinated N, in the nearest neighbor environment of Si along with some exclusion in connectivity between SiC x N 4- x tetrahedra with widely different N:C ratios and the absence of bonding between C and N result in steric hindrance to an efficient packing of these structural units. It is noted that similar inefficiencies in packing are observed in polymer-derived amorphous SiOC ceramics as well as in proteins and binary hard sphere systems.

A Customizable Model for Chronic Disease Coordination: Lessons Learned From the Coordinated Chronic Disease Program.

Science.gov (United States)

Voetsch, Karen; Sequeira, Sonia; Chavez, Amy Holmes

2016-03-31

In 2012, the Centers for Disease Control and Prevention provided funding and technical assistance to all states and territories to implement the Coordinated Chronic Disease Program, marking the first time that all state health departments had federal resources to coordinate chronic disease prevention and control programs. This article describes lessons learned from this initiative and identifies key elements of a coordinated approach. We analyzed 80 programmatic documents from 21 states and conducted semistructured interviews with 7 chronic disease directors. Six overarching themes emerged: 1) focused agenda, 2) identification of functions, 3) comprehensive planning, 4) collaborative leadership and expertise, 5) managed resources, and 6) relationship building. These elements supported 4 essential activities: 1) evidence-based interventions, 2) strategic use of staff, 3) consistent communication, and 4) strong program infrastructure. On the basis of these elements and activities, we propose a conceptual model that frames overarching concepts, skills, and strategies needed to coordinate state chronic disease prevention and control programs.

Covering folded shapes

Directory of Open Access Journals (Sweden)

Oswin Aichholzer

2014-05-01

Full Text Available Can folding a piece of paper flat make it larger? We explore whether a shape S must be scaled to cover a flat-folded copy of itself. We consider both single folds and arbitrary folds (continuous piecewise isometries \\(S\\to\\mathbb{R}^2\\. The underlying problem is motivated by computational origami, and is related to other covering and fixturing problems, such as Lebesgue's universal cover problem and force closure grasps. In addition to considering special shapes (squares, equilateral triangles, polygons and disks, we give upper and lower bounds on scale factors for single folds of convex objects and arbitrary folds of simply connected objects.

Light-emitting Si nanostructures formed by swift heavy ions in stoichiometric SiO2 layers

Science.gov (United States)

Kachurin, G. A.; Cherkova, S. G.; Marin, D. V.; Kesler, V. G.; Volodin, V. A.; Skuratov, V. A.

2012-07-01

Three hundred and twenty nanometer-thick SiO2 layers were thermally grown on the Si substrates. The layers were irradiated with 167 MeV Xe ions to the fluences ranging between 1012 cm-2 and 1014 cm-2, or with 700 MeV Bi ions in the fluence range of 3 × 1012-1 × 1013 cm-2. After irradiation the yellow-orange photoluminescence (PL) band appeared and grew with the ion fluences. In parallel optical absorption in the region of 950-1150 cm-1, Raman scattering and X-ray photoelectron spectroscopy evidenced a decrease in the number of Si-O bonds and an increase in the number of Si-coordinated atoms. The results obtained are interpreted as the formation of the light-emitting Si-enriched nanostructures inside the tracks of swift heavy ions through the disproportionation of SiO2. Ionization losses of the ions are regarded as responsible for the processes observed. Difference between the dependences of the PL intensity on the fluences of Xe and Bi ions are ascribed to their different stopping energy, therewith the diameters of the tracks of Xe and Bi ions were assessed as <3 nm and ˜10 nm, respectively. The observed shift of the PL bands, induced by Xe and Bi ions, agrees with the predictions of the quantum confinement theory.

Fractal Folding and Medium Viscoelasticity Contribute Jointly to Chromosome Dynamics

Science.gov (United States)

Polovnikov, K. E.; Gherardi, M.; Cosentino-Lagomarsino, M.; Tamm, M. V.

2018-02-01

Chromosomes are key players of cell physiology, their dynamics provides valuable information about its physical organization. In both prokaryotes and eukaryotes, the short-time motion of chromosomal loci has been described with a Rouse model in a simple or viscoelastic medium. However, little emphasis has been put on the influence of the folded organization of chromosomes on the local dynamics. Clearly, stress propagation, and thus dynamics, must be affected by such organization, but a theory allowing us to extract such information from data, e.g., on two-point correlations, is lacking. Here, we describe a theoretical framework able to answer this general polymer dynamics question. We provide a scaling analysis of the stress-propagation time between two loci at a given arclength distance along the chromosomal coordinate. The results suggest a precise way to assess folding information from the dynamical coupling of chromosome segments. Additionally, we realize this framework in a specific model of a polymer whose long-range interactions are designed to make it fold in a fractal way and immersed in a medium characterized by subdiffusive fractional Langevin motion with a tunable scaling exponent. This allows us to derive explicit analytical expressions for the correlation functions.

The Relationship between Nanocluster Precipitation and Thermal Conductivity in Si/Ge Amorphous Multilayer Films: Effects of Cu Addition

Directory of Open Access Journals (Sweden)

Ahmad Ehsan Mohd Tamidi

2016-01-01

Full Text Available We have used a molecular dynamics technique to simulate the relationship between nanocluster precipitation and thermal conductivity in Si/Ge amorphous multilayer films, with and without Cu addition. In the study, the Green-Kubo equation was used to calculate thermal conductivity in these materials. Five specimens were prepared: Si/Ge layers, Si/(Ge + Cu layers, (Si + Cu/(Ge + Cu layers, Si/Cu/Ge/Cu layers, and Si/Cu/Ge layers. The number of precipitated nanoclusters in these specimens, which is defined as the number of four-coordinate atoms, was counted along the lateral direction of the specimens. The observed results of precipitate formation were considered in relation to the thermal conductivity results. Enhancement of precipitation of nanoclusters by Cu addition, that is, densification of four-coordinate atoms, can prevent the increment of thermal conductivity. Cu dopant increases the thermal conductivity of these materials. Combining these two points, we concluded that Si/Cu/Ge is the best structure to improve the conversion efficiency of the Si/Ge amorphous multilayer films.

Quantum field theory in stationary coordinate systems

International Nuclear Information System (INIS)

Pfautsch, J.D.

1981-01-01

Quantum field theory is examined in stationary coordinate systems in Minkowski space. Preliminary to quantization of the scalar field, all of the possible stationary coordinate systems in flat spacetime are classified and explicitly constructed. Six distinct classes of such systems are found. Of these six, three have (identical) event horizons associated with them and five have Killing horizons. Two classes have distinct Killing and event horizons, with an intervening region analogous to the ergosphere in rotating black holes. Particular representatives of each class are selected for subsequent use in the quantum field theory. The scalar field is canonically quantized and a vacuum defined in each of the particular coordinate systems chosen. The vacuum states can be regarded as adapted to the six classes of stationary motions. There are only two vacuum states found, the Minkowski vacuum in those coordinate systems without event horizons and the Fulling vacuum in those with event horizons. The responses of monopole detectors traveling along stationary world lines are calculated in both the Minkowski and Fulling vacuums. The responses for each class of motions are distinct from those for every other class. A vacuum defined by the response of a detector must therefore not be equivalent in general to a vacuum defined by canonical quantization. Quantization of the scalar field within a rotating wedge is examined. It has not been possible to construct mode functions satisfying appropriate boundary conditions on the surface of the wedge. The asymptotic form of the renormalized stress tensor near the surfaces had been calculated and is found to include momentum terms which represent a circulation of energy within the wedge

Revision of the Li13Si4 structure

Directory of Open Access Journals (Sweden)

Thomas F. Fässler

2013-12-01

Full Text Available Besides Li17Si4, Li16.42Si4, and Li15Si4, another lithium-rich representative in the Li–Si system is the phase Li13Si4 (tridecalithium tetrasilicide, the structure of which has been determined previously [Frank et al. (1975. Z. Naturforsch. Teil B, 30, 10–13]. A careful analysis of X-ray diffraction patterns of Li13Si4 revealed discrepancies between experimentally observed and calculated Bragg positions. Therefore, we redetermined the structure of Li13Si4 on the basis of single-crystal X-ray diffraction data. Compared to the previous structure report, decisive differences are (i the introduction of a split position for one Li site [occupancy ratio 0.838 (7:0.162 (7], (ii the anisotropic refinement of atomic displacement parameters for all atoms, and (iii a high accuracy of atom positions and unit-cell parameters. The asymmetric unit of Li13Si4 contains two Si and seven Li atoms. Except for one Li atom situated on a site with symmetry 2/m, all other atoms are on mirror planes. The structure consists of isolated Si atoms as well as Si–Si dumbbells surrounded by Li atoms. Each Si atom is either 12- or 13-coordinated. The isolated Si atoms are situated in the ab plane at z = 0 and are strictly separated from the Si–Si dumbbells at z = 0.5.

Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins

Energy Technology Data Exchange (ETDEWEB)

Bo, Maolin; Huang, Yongli; Zhang, Ting [Key Laboratory of Low-Dimensional Materials and Application Technologies, Xiangtan University, Hunan 411105 (China); Wang, Yan, E-mail: ywang8@hnust.edu.cn, E-mail: ecqsun@ntu.edu.sg [Key Laboratory of Low-Dimensional Materials and Application Technologies, Xiangtan University, Hunan 411105 (China); School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Zhang, Xi [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Li, Can [Center for Coordination Bond Engineering, School of Materials Science and Engineering, China Jiliang University, Hangzhou 330018 (China); Sun, Chang Q., E-mail: ywang8@hnust.edu.cn, E-mail: ecqsun@ntu.edu.sg [Key Laboratory of Low-Dimensional Materials and Application Technologies, Xiangtan University, Hunan 411105 (China); School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Center for Coordination Bond Engineering, School of Materials Science and Engineering, China Jiliang University, Hangzhou 330018 (China)

2014-04-14

Consistency between x-ray photoelectron spectroscopy measurements and density-function theory calculations confirms our bond order-length-strength notation-incorporated tight-binding theory predictions on the quantum entrapment of Si solid skin and atomic clusters. It has been revealed that bond-order deficiency shortens and strengthens the Si-Si bond, which results in the local densification and quantum entrapment of the core and valence electrons. Unifying Si clusters and Si(001) and (111) skins, this mechanism has led to quantification of the 2p binding energy of 96.089 eV for an isolated Si atom, and their bulk shifts of 2.461 eV. Findings evidence the significance of atomic undercoordination that is of great importance to device performance.

Infratentorial oligodendrogliomas: Imaging findings in six patients

Energy Technology Data Exchange (ETDEWEB)

Lee, In Ho; Kim, Sung Tae; Kim, Hyung-Jin; Kim, Keon Ha; Jeon, Pyoung; Byun, Hong Sik (Dept. of Radiology and Center for Imaging Science, Samsung Medical Center, Sungkyunkwan Univ. School of Medicine, Seoul (Korea)), e-mail: femidas@naver.com; Suh, Yeon-Lim (Dept. of Pathology, Samsung Medical Center, Sungkyunkwan Univ. School of Medicine, Seoul (Korea))

2010-03-15

Background: Oligodendrogliomas are primarily supratentorial tumors. However, infrequently, they can also arise from infratentorial structures. There are only limited numbers of radiological articles on the specific imaging findings of this entity. Purpose: To investigate the imaging findings of infratentorial oligodendrogliomas. Material and Methods: We retrospectively reviewed the magnetic resonance imaging (MRI) findings and clinical records of six patients with pathologically proven infratentorial oligodendrogliomas between December 1994 and April 2008. Tumor location, circumscription, signal intensity (SI), enhancement pattern, the presence of restricted diffusion, and the change of the relative cerebral blood volume (rCBV) on MRI were evaluated. Results: In total, six patients (three male, three female; mean age 65 years, range 51-75 years) were included. The pathology revealed anaplastic oligodendrogliomas in all six patients. The location was cerebellum in four patients, medulla in one patient, and fourth ventricle and tegmentum in one patient. Three of them were of the infiltrative type, and the other three of the mass-forming type. The solid component of the tumors showed high SI (n=6) on FLAIR and T2-weighted images, and low (n=5) or iso (n=1) SI on T1-weighted images. All infiltrative lesions showed multifocal patchy enhancement, and mass-forming lesions showed heterogeneous enhancement (n=2) and diffuse homogeneous enhancement (n=1). Three patients had restricted diffusion, and one had leptomeningeal seeding. There was markedly increased rCBV on perfusion-weighted image (PWI) in one patient. Calcification or hemorrhage was not found. Tumor progression after operation, radiation therapy, gamma-knife surgery, or chemotherapy developed in five patients. Conclusion: Although infratentorial oligodendrogliomas did not show characteristic imaging findings, there was a tendency toward multifocal heterogeneous enhancement and absent or mild mass effect of

Protein folding simulations: from coarse-grained model to all-atom model.

Science.gov (United States)

Zhang, Jian; Li, Wenfei; Wang, Jun; Qin, Meng; Wu, Lei; Yan, Zhiqiang; Xu, Weixin; Zuo, Guanghong; Wang, Wei

2009-06-01

Protein folding is an important and challenging problem in molecular biology. During the last two decades, molecular dynamics (MD) simulation has proved to be a paramount tool and was widely used to study protein structures, folding kinetics and thermodynamics, and structure-stability-function relationship. It was also used to help engineering and designing new proteins, and to answer even more general questions such as the minimal number of amino acid or the evolution principle of protein families. Nowadays, the MD simulation is still undergoing rapid developments. The first trend is to toward developing new coarse-grained models and studying larger and more complex molecular systems such as protein-protein complex and their assembling process, amyloid related aggregations, and structure and motion of chaperons, motors, channels and virus capsides; the second trend is toward building high resolution models and explore more detailed and accurate pictures of protein folding and the associated processes, such as the coordination bond or disulfide bond involved folding, the polarization, charge transfer and protonate/deprotonate process involved in metal coupled folding, and the ion permeation and its coupling with the kinetics of channels. On these new territories, MD simulations have given many promising results and will continue to offer exciting views. Here, we review several new subjects investigated by using MD simulations as well as the corresponding developments of appropriate protein models. These include but are not limited to the attempt to go beyond the topology based Gō-like model and characterize the energetic factors in protein structures and dynamics, the study of the thermodynamics and kinetics of disulfide bond involved protein folding, the modeling of the interactions between chaperonin and the encapsulated protein and the protein folding under this circumstance, the effort to clarify the important yet still elusive folding mechanism of protein BBL

Unraveling the atomic structure of biogenic silica: evidence of the structural association of Al and Si in diatom frustules

Science.gov (United States)

Gehlen, M.; Beck, L.; Calas, G.; Flank, A.-M.; Van Bennekom, A. J.; Van Beusekom, J. E. E.

2002-05-01

We used X-ray absorption spectroscopy at the Al K-edge to investigate the atomic structure of biogenic silica and to assess the effect of Al on its crystal chemistry. Our study provides the first direct evidence for a structural association of Al and Si in biogenic silica. In samples of cultured diatoms, Al is present exclusively in fourfold coordination. The location and relative intensity of X-ray absorption near-edge structure (XANES) features suggests the structural insertion of tetrahedral Al inside the silica framework synthesized by the organism. In diatom samples collected in the marine environment, Al is present in mixed six- and fourfold coordination. The relative intensity of XANES structures indicates the coexistence of structural Al with a clay component, which most likely reflects sample contamination by adhering mineral particles. Extended X-ray absorption fine structure spectroscopy has been used to get Al-O distances in biogenic silica of cultured diatoms, confirming a tetrahedral coordination. Because of its effect on solubility and reaction kinetics of biogenic silica, the structural association between Al and biogenic silica at the stage of biosynthesis has consequences for the use of sedimentary biogenic silica as an indicator of past environmental conditions.

Impurities and evaluation of induced activity of CVI SiCf/SiC composites

International Nuclear Information System (INIS)

Noda, Tetsuji; Fujita, Mitsutane; Araki, Hiroshi; Kohyama, Akira

2000-01-01

Impurity of SiC f /SiC composites prepared by CVI was analyzed by neutron activation analysis and glow discharge mass spectrometry. The evaluation of the induced activity of the composites based on the chemical compositions was made using a simulation calculation for fusion reactor blanket. Impurities of 35 elements were detected in the composites. However, the total concentration of metallic impurities was below 20 mass ppm. The analyses of induced activity of the composites show that the dose rate decreases by about six orders of magnitude in a day after the shutdown. It is recommended that the purification of SiC composites, especially reduction of Fe and Ni contents, is necessary to reduce the activity to satisfy the limit of remote handling recycling after several 10 years cooling of fusion reactors

Unusual metal coordination chemistry from an amino-amide derivative of 4-nitrophenol, a surprising ligand

DEFF Research Database (Denmark)

McGinley, John; McKee, Vickie; Toftlund, Hans

2009-01-01

The simple ligand N-(2-aminoethyl)-2-hydroxy-5-nitrobenzamide () exhibits several coordination modes depending on the reaction conditions, acting as a zwitterion on its own or being ionic in the presence of acid and depending on the concentration of metal present in a reaction, it can coordinate...... to the metal in either a 1:1 or a 1:2 metal:ligand mode. Furthermore, the role of solvent plays an important role in these complexation reactions with both four and six coordinate copper complexes being obtained using water as solvent but only six coordinate copper complexes obtained using acetonitrile...

Band structure and unconventional electronic topology of CoSi

Science.gov (United States)

Pshenay-Severin, D. A.; Ivanov, Y. V.; Burkov, A. A.; Burkov, A. T.

2018-04-01

Semimetals with certain crystal symmetries may possess unusual electronic structure topology, distinct from that of the conventional Weyl and Dirac semimetals. Characteristic property of these materials is the existence of band-touching points with multiple (higher than two-fold) degeneracy and nonzero Chern number. CoSi is a representative of this group of materials exhibiting the so-called ‘new fermions’. We report on an ab initio calculation of the electronic structure of CoSi using density functional methods, taking into account the spin-orbit interactions. The linearized \

Paramagnetic centers in ternary coordinated oxygen in beryllium aluminosilicate glasses

International Nuclear Information System (INIS)

Blaginina, L.A.; Zatsepin, A.F.; Dmitriev, I.A.

1988-01-01

Glasses of the composition 3BeO-Al 2 O 3 -6SiO 2 containing a homogenizing additive of MgF 2 were synthesized. The ESR spectra of x-ray and gamma irradiated specimens were determined. A complex ESR spectrum arose in the original glass. The ESR spectrum of the gamma-irradiated polycrystalline Be 2 SiO 4 glass was almost identical to the crystallized glass. It was shown that the presence of beryllium atoms in the composition of silicate glasses created the conditions for the formation of structural fragments with ternary coordinated oxygen

Direct structural and spectroscopic investigation of ultrathin films of tetragonal CuO: Six-fold coordinated copper

NARCIS (Netherlands)

Samal, D.; Tan, H.; Takamura, Y.; Siemons, W.; Verbeeck, J.; van Tendeloo, G.; Arenholz, E.; Jenkins, A.; Rijnders, Augustinus J.H.M.; Koster, Gertjan

2014-01-01

Unlike other 3d transition metal monoxides (MnO, FeO, CoO, and NiO), CuO is found in a low-symmetry distorted monoclinic structure rather than the rocksalt structure. We report here of the growth of ultrathin CuO films on SrTiO3 substrates; scanning transmission electron microscopy was used to show

Sacroiliac Joint Fusion Using Triangular Titanium Implants vs. Non-Surgical Management: Six-Month Outcomes from a Prospective Randomized Controlled Trial.

Science.gov (United States)

Whang, Peter; Cher, Daniel; Polly, David; Frank, Clay; Lockstadt, Harry; Glaser, John; Limoni, Robert; Sembrano, Jonathan

2015-01-01

Sacroiliac (SI) joint pain is a prevalent, underdiagnosed cause of lower back pain. SI joint fusion can relieve pain and improve quality of life in patients who have failed nonoperative care. To date, no study has concurrently compared surgical and non-surgical treatments for chronic SI joint dysfunction. We conducted a prospective randomized controlled trial of 148 subjects with SI joint dysfunction due to degenerative sacroiliitis or sacroiliac joint disruptions who were assigned to either minimally invasive SI joint fusion with triangular titanium implants (N=102) or non-surgical management (NSM, n=46). SI joint pain scores, Oswestry Disability Index (ODI), Short-Form 36 (SF-36) and EuroQol-5D (EQ-5D) were collected at baseline and at 1, 3 and 6 months after treatment commencement. Six-month success rates, defined as the proportion of treated subjects with a 20-mm improvement in SI joint pain in the absence of severe device-related or neurologic SI joint-related adverse events or surgical revision, were compared using Bayesian methods. Subjects (mean age 51, 70% women) were highly debilitated at baseline (mean SI joint VAS pain score 82, mean ODI score 62). Six-month follow-up was obtained in 97.3%. By 6 months, success rates were 81.4% in the surgical group vs. 23.9% in the NSM group (difference of 56.6%, 95% posterior credible interval 41.4-70.0%, posterior probability of superiority >0.999). Clinically important (≥15 point) ODI improvement at 6 months occurred in 75% of surgery subjects vs. 27.3% of NSM subjects. At six months, quality of life improved more in the surgery group and satisfaction rates were high. The mean number of adverse events in the first six months was slightly higher in the surgical group compared to the non-surgical group (1.3 vs. 1.0 events per subject, p=0.1857). Six-month follow-up from this level 1 study showed that minimally invasive SI joint fusion using triangular titanium implants was more effective than non-surgical management

Key drivers for informal project coordination among sub-contractors

DEFF Research Database (Denmark)

Aagaard, Annabeth; Eskerod, Pernille; Madsen, Erik Skov

2015-01-01

understandings. Still though, many sub-contractors choose not to coordinate informally. The purpose of this paper is to identify drivers that enhance or inhibits informal coordination in projects. A qualitative, explorative case study approach was applied. Fifteen SME sub-contractors within the offshore wind...... are massive. Six drivers which enhance informal coordination and three drivers which inhibit informal coordination among sub-contractors in projects were identified. The findings imply that management in project-oriented organizations can enhance informal coordination across project sub-contractors...... and by facilitating trust building, by emphasizing previous collaboration successes with the sub-contractors and the possibility of future common projects, by being explicit about expectations on informal coordination, and by developing sub-contractor contracts that are not as tight in economic terms, but instead...

Vocal Fold Paralysis

Science.gov (United States)

... here Home » Health Info » Voice, Speech, and Language Vocal Fold Paralysis On this page: What is vocal fold ... Where can I get additional information? What is vocal fold paralysis? Structures involved in speech and voice production ...

Energy dependence of fusion evaporation-residue cross sections in the 28Si+28Si reaction

International Nuclear Information System (INIS)

Vineyard, M.F.; Bauer, J.S.; Gosdin, C.H.; Trotter, R.S.; Kovar, D.G.; Beck, C.; Henderson, D.J.; Janssens, R.V.F.; Wilkins, B.D.; Rosner, G.; Chowdhury, P.; Ikezoe, H.; Kuhn, W.; Kolata, J.J.; Hinnefeld, J.D.; Maguire, C.F.; Mateja, J.F.; Prosser, F.W.; Stephans, G.S.F.

1990-01-01

Velocity distributions of mass-identified evaporation residues produced in the 28 Si+ 28 Si reaction have been measured at bombarding energies of 174, 215, 240, 309, 397, and 452 MeV using time-of-flight techniques. These distributions were used to identify evaporation residues and to separate the complete-fusion and incomplete-fusion components. Angular distributions and total cross sections were extracted at all six bombarding energies. The complete-fusion evaporation-residue cross sections and the deduced critical angular momenta are compared with lower energy data and the predictions of existing models

Light-emitting Si nanostructures formed by swift heavy ions in stoichiometric SiO2 layers

International Nuclear Information System (INIS)

Kachurin, G.A.; Cherkova, S.G.; Marin, D.V.; Kesler, V.G.; Volodin, V.A.; Skuratov, V.A.

2012-01-01

Three hundred and twenty nanometer-thick SiO 2 layers were thermally grown on the Si substrates. The layers were irradiated with 167 MeV Xe ions to the fluences ranging between 10 12 cm −2 and 10 14 cm −2 , or with 700 MeV Bi ions in the fluence range of 3 × 10 12 –1 × 10 13 cm −2 . After irradiation the yellow–orange photoluminescence (PL) band appeared and grew with the ion fluences. In parallel optical absorption in the region of 950–1150 cm −1 , Raman scattering and X-ray photoelectron spectroscopy evidenced a decrease in the number of Si–O bonds and an increase in the number of Si-coordinated atoms. The results obtained are interpreted as the formation of the light-emitting Si-enriched nanostructures inside the tracks of swift heavy ions through the disproportionation of SiO 2 . Ionization losses of the ions are regarded as responsible for the processes observed. Difference between the dependences of the PL intensity on the fluences of Xe and Bi ions are ascribed to their different stopping energy, therewith the diameters of the tracks of Xe and Bi ions were assessed as <3 nm and ∼10 nm, respectively. The observed shift of the PL bands, induced by Xe and Bi ions, agrees with the predictions of the quantum confinement theory.

Luminescent properties of Na2CaSiO4:Eu2+ and its potential application in white light emitting diodes

International Nuclear Information System (INIS)

Wang, Zhijun; Li, Panlai; Li, Ting; Zhang, Xing; Li, Qingxuan; Yang, Zhiping; Guo, Qinglin

2013-01-01

Graphical abstract: Na 2 CaSiO 4 :Eu 2+ phosphor can be effectively excited by an ultraviolet and near-ultraviolet light, and produce a bright blue emission centered at 436 nm. The CIE chromaticity coordinations (x, y) of Na 2 CaSiO 4 :Eu 2+ (NSCE)/Li 2 SrSiO 4 :Eu 2+ (LSSE) vary with the molar ratio of the two constituents. When NSCE/LSSE is 1:3, the CIE chromaticity coordination is (0.332, 0.346), which is close to that of the natural sunlight (0.33, 0.33). The results indicate that Na 2 CaSiO 4 :Eu 2+ may be a promising blue phosphor for UV chip-based multi-phosphor converted white light emitting diodes. Highlights: ► Na 2 CaSiO 4 :Eu 2+ shows the blue emission with a peak at 436 nm and broad excitation band in the UV/n-UV range. ► White light with CIE coordinates (0.332, 0.346) is generated by mixing the blue phosphor with the Li 2 SrSiO 4 :Eu 2+ yellow phosphor. ► Na 2 CaSiO 4 :Eu 2+ would be a promising blue phosphor candidate for UV chip-based multi-phosphor converted white LEDs. - Abstract: A novel blue phosphor Na 2 CaSiO 4 :Eu 2+ is synthesized by a high temperature solid-state reaction, and its luminescent properties are systematically studied. Na 2 CaSiO 4 :Eu 2+ can be effectively excited by the 354 nm radiation, and create blue emission (436 nm). The emission intensity of Na 2 CaSiO 4 :Eu 2+ is influenced by the Eu 2+ doping content, and the optimal doping content is 1.5%, and the concentration quenching mechanism of Eu 2+ in Na 2 CaSiO 4 can be attributed to the multipolar interaction. The white light with CIE coordinates (0.332, 0.346) is generated by mixing the blue phosphor Na 2 CaSiO 4 :Eu 2+ with the yellow phosphor Li 2 SrSiO 4 :Eu 2+ . The results indicate that Na 2 CaSiO 4 :Eu 2+ may be a potential blue emitting phosphor for UV chip-based multi-phosphor converted white light emitting diodes

Vitreous Anorthite (CaAl2Si2O8) at High Pressure: A First-Principles Molecular Dynamics Study

Science.gov (United States)

Ghosh, D. B.; Karki, B. B.

2017-12-01

Due to the high abundance of silicates and aluminosilicates inside the earth, their corresponding melts are likely to be one of the key transport agents in the chemical and thermal evolution of our planet and therefore, have long been the subject of investigations. Experimentally, in-situ melt properties of these materials, particularly at high pressure-temperature conditions are extremely difficult to constrain and the corresponding glass phases are considered as analogs. This, however, prohibits one-to-one comparison between the properties of silicate melt and its corresponding glass. With the aim to enable such comparison, we investigate the equation of state and structural properties of CaAl2Si2O8 glass at 300 K as a function of pressure up to 160 GPa from first principles molecular dynamics simulation results. Our results show that at ambient pressure: (i) Si's remain mostly (> 95%) under tetrahedral oxygen surroundings, (ii) unlike anorthite crystal, presence of high coordination (> 4) Al's with 30% abundance, (iii) and significant presence of both non bridging (8%) and triply (17%) coordinated oxygen. In the 0-10 GPa interval, mainly topological changes occur in the Si-O (also Al-O to some extent) surroundings in the cold compressed case in comparison to smooth increase in the average bond distance and coordination in the hot compressed case. Further compression results in gradual increases in: mean coordination, proportion of O-triclusters and increasing appearance of tetrahedral oxgyens, with Si-O (Al-O) reaching 6 (6.5) and O-T > 3 (T=Si and Al) at the highest compression. Due to the absence of kinetic barrier, the hot compressed glasses consistently produce greater densities and higher coordination numbers than the cold compression cases. Decompressed glasses show irreversible compaction along with retention of high coordination species when decompressed from > 10 GPa and degree of irreversibility depends on the peak pressure of decompression. These

Intradomain Confinement of Disulfides in the Folding of Two Consecutive Modules of the LDL Receptor.

Directory of Open Access Journals (Sweden)

Juan Martínez-Oliván

Full Text Available The LDL receptor internalizes circulating LDL and VLDL particles for degradation. Its extracellular binding domain contains ten (seven LA and three EGF cysteine-rich modules, each bearing three disulfide bonds. Despite the enormous number of disulfide combinations possible, LDLR oxidative folding leads to a single native species with 30 unique intradomain disulfides. Previous folding studies of the LDLR have shown that non native disulfides are initially formed that lead to compact species. Accordingly, the folding of the LDLR has been described as a "coordinated nonvectorial" reaction, and it has been proposed that early compaction funnels the reaction toward the native structure. Here we analyze the oxidative folding of LA4 and LA5, the modules critical for ApoE binding, isolated and in the LA45 tandem. Compared to LA5, LA4 folding is slow and inefficient, resembling that of LA5 disease-linked mutants. Without Ca++, it leads to a mixture of many two-disulfide scrambled species and, with Ca++, to the native form plus two three-disulfide intermediates. The folding of the LA45 tandem seems to recapitulate that of the individual repeats. Importantly, although the folding of the LA45 tandem takes place through formation of scrambled isomers, no interdomain disulfides are detected, i.e. the two adjacent modules fold independently without the assistance of interdomain covalent interactions. Reduction of incredibly large disulfide combinatorial spaces, such as that in the LDLR, by intradomain confinement of disulfide bond formation might be also essential for the efficient folding of other homologous disulfide-rich receptors.

Coordinators for health science libraries in the Midwest Health Science Library Network.

Science.gov (United States)

Holtum, E A; McKloskey, J; Mahan, R

1977-04-01

In the summer of 1973 one resource library in each of the six states of the Midwest Health Science Library Network received funding from the National Library of Medicine to hire a coordinator for health science libraries. The development of the role of coordinator is examined and evaluated. The coordinators have proved valuable in the areas of consortium formation, basic unit development, communication facilitation, and program initiation. The function of the coordinators in the extensive planning effort now being undertaken by the network and the future need for the coordinator positions are discussed.

Multinuclear (27Al, 29Si, 47,49Ti) solid-state NMR of titanium substituted zeolite USY.

Science.gov (United States)

Ganapathy, S; Gore, K U; Kumar, Rajiv; Amoureux, Jean-Paul

2003-01-01

Multinuclear solid-state NMR spectroscopy, employing 29Si MAS,27Al MAS/3Q-MAS and (47,49)Ti wide-line experiments, has been used for the structural characterization of titanium substituted ultra-stable zeolite Y (Ti-USY). 27Al MAS experiments show the presence of aluminum in four (Al(IV)), five (Al(V)), and six (Al(VI)) coordination, whereas the multiplicity within Al(IV) and Al(VI) is revealed by 27Al 3Q-MAS experiments. Two different tetrahedral and octahedral Al environments are resolved and their isotropic chemical shifts (delta(CS)) and second-order quadrupole interaction parameters (P(Q)) have been determined by a graphical analysis of the 3Q-MAS spectra. The emergence of signal with higher intensity at -101 ppm in the 29Si MAS spectrum of Ti-USY samples indicates the possible occurrence of Q4(3Si,1Ti) type silicon environments due to titanium substitution in the faujasite framework. High-field (11.74T) operation, using a probehead specially designed to handle a large sample volume, has enabled the acquisition of 47,49Ti static spectra and identification of the titanium environment in the zeolite. The chemical shielding and electric field gradient tensors for the titanium environment in the zeolite have been determined by a computer simulation of the quadrupolar broadened static 47,49Ti NMR spectra.

Light-emitting Si nanostructures formed by swift heavy ions in stoichiometric SiO{sub 2} layers

Energy Technology Data Exchange (ETDEWEB)

Kachurin, G.A., E-mail: kachurin@isp.nsc.ru [A.V. Rzhanov Institute of Semiconductor Physics SB RAS, 630090 Novosibirsk (Russian Federation); Cherkova, S.G. [A.V. Rzhanov Institute of Semiconductor Physics SB RAS, 630090 Novosibirsk (Russian Federation); Marin, D.V. [A.V. Rzhanov Institute of Semiconductor Physics SB RAS, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 630090 Novosibirsk (Russian Federation); Kesler, V.G. [A.V. Rzhanov Institute of Semiconductor Physics SB RAS, 630090 Novosibirsk (Russian Federation); Volodin, V.A. [A.V. Rzhanov Institute of Semiconductor Physics SB RAS, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 630090 Novosibirsk (Russian Federation); Skuratov, V.A. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation)

2012-07-01

Three hundred and twenty nanometer-thick SiO{sub 2} layers were thermally grown on the Si substrates. The layers were irradiated with 167 MeV Xe ions to the fluences ranging between 10{sup 12} cm{sup -2} and 10{sup 14} cm{sup -2}, or with 700 MeV Bi ions in the fluence range of 3 Multiplication-Sign 10{sup 12}-1 Multiplication-Sign 10{sup 13} cm{sup -2}. After irradiation the yellow-orange photoluminescence (PL) band appeared and grew with the ion fluences. In parallel optical absorption in the region of 950-1150 cm{sup -1}, Raman scattering and X-ray photoelectron spectroscopy evidenced a decrease in the number of Si-O bonds and an increase in the number of Si-coordinated atoms. The results obtained are interpreted as the formation of the light-emitting Si-enriched nanostructures inside the tracks of swift heavy ions through the disproportionation of SiO{sub 2}. Ionization losses of the ions are regarded as responsible for the processes observed. Difference between the dependences of the PL intensity on the fluences of Xe and Bi ions are ascribed to their different stopping energy, therewith the diameters of the tracks of Xe and Bi ions were assessed as <3 nm and {approx}10 nm, respectively. The observed shift of the PL bands, induced by Xe and Bi ions, agrees with the predictions of the quantum confinement theory.

GEOPORTALE NAZIONALE Un approfondimento sulle metodologie di conversione e trasformazione coordinate

Directory of Open Access Journals (Sweden)

Salvatore Costabile

2013-04-01

Full Text Available Con il presente articolo si intende ampliare la conoscenza e la fruibilità del servizio di conversione di coordinate delGeoportale Nazionale già descritto nel precedente numero di GEOmedia, dando una dettagliata descrizione deglialgoritmi impiegati e delle metodologie di trasformazione ricomprese all’interno del servizio stesso.With the present article is intended to broaden the knowledgeand availability of the service to coordinate conversionof the National Geoportal already described in the previousissue of GEOmedia, giving a detailed description of thealgorithms used and methods of transformation includedwithin the service.

Study of a Digital SiPM for TOF-PET

CERN Document Server

Heller, M

2013-01-01

The digital Silicon Photomultipliers (dSiPM) from Philips have been used in a study aiming at the proof of principle of an axial positron emission tomography detector with time of flight capabilities. These novel detectors provide various features not present in analog devices. The readout chain is programmable and offers various options affecting the functioning of the device. For each application a characterization and an optimization of the settings must be done in order to get the best out of the sensor. The axial geometry already developed for the AX-PET demonstrator implies the readout of LYSO crystals (used for energy measurement and transaxial coordinate) and of wavelength shifting (WLS) strips (axial coordinate). The readout of these two types of scintillators requires dedicated operation modes of the dSiPM. This technical note describes the characterization of the sensors with the goal of an optimized performance for LYSO crystals and WLS strips.

Modifier cation effects on (29)Si nuclear shielding anisotropies in silicate glasses.

Science.gov (United States)

Baltisberger, Jay H; Florian, Pierre; Keeler, Eric G; Phyo, Pyae A; Sanders, Kevin J; Grandinetti, Philip J

2016-07-01

We have examined variations in the (29)Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O·4.81 SiO2, Rb2O·3.96 SiO2, Rb2O·2.25 SiO2, K2O·4.48 SiO2, Na2O·4.74 SiO2, BaO·2.64 SiO2, and SrO·2.36 SiO2, using natural abundance (29)Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the (29)Si nuclear shielding anisotropy of Q((3)) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu(2+) as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of (29)Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure. Copyright © 2016 Elsevier Inc. All rights reserved.

Modifier cation effects on 29Si nuclear shielding anisotropies in silicate glasses

Science.gov (United States)

Baltisberger, Jay H.; Florian, Pierre; Keeler, Eric G.; Phyo, Pyae A.; Sanders, Kevin J.; Grandinetti, Philip J.

2016-07-01

We have examined variations in the 29Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O · 4.81 SiO2, Rb2O · 3.96 SiO2, Rb2O · 2.25 SiO2, K2O · 4.48 SiO2, Na2O · 4.74 SiO2, BaO · 2.64 SiO2, and SrO · 2.36 SiO2, using natural abundance 29Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the 29Si nuclear shielding anisotropy of Q(3) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu2+ as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of 29Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure.

Effect of strontium on liquid structure of Al-Si hypoeutectic alloys using high-energy X-ray diffraction

International Nuclear Information System (INIS)

Srirangam, P.; Kramer, M.J.; Shankar, S.

2011-01-01

High-energy X-ray diffraction experiments were performed using a synchrotron beam source to investigate the effect of strontium on the liquid atomic structure of Al-Si hypoeutectic alloys. The high-temperature liquid diffraction experiments were carried out on Al alloys with 3, 7, 10 and 12.5 (eutectic) wt.% Si, respectively, with 0 and 0.04 wt.% addition of Sr to each of the alloys. Further, the diffraction data for all the alloys were obtained at various melt temperatures (5-220 K) above the respective liquidus temperature. It was observed that the addition of 0.04 wt.% Sr results in significant change in the liquid structure parameters, such as structure factor, pair distribution function, radial distribution function, coordination number and packing density, at any given melt temperature of the alloy. Salient observations were that, for any specific alloy and temperature, addition of Sr significantly decreases coordination number and packing density. Further, with the addition of Sr in the liquid alloy, the atomic coordination number and packing density increases with decreasing temperature and decreasing Si content of the alloy. The results coupled with prior knowledge have enabled an in-depth understanding of the nucleation environment of the solidifying phases, specifically the role of Sr in delaying the clustering tendencies (nucleation) of the eutectic Si phase.

Magnetic and optical properties of Ag@SiO{sub 2}-FITC-Fe{sub 3}O{sub 4} hybrid nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Sui, Ning [Université de Lyon, Institut des Nanotechnologies de Lyon–INL, UMR CNRS 5270, Site Ecole Centrale de Lyon, 36 Avenue Guy de Collongue, F-69134 Ecully Cedex (France); College of Material Science and Engineering, Qingdao University of Science and Technology, Qingdao 266042 (China); Monnier, Virginie, E-mail: virginie.monnier@ec-lyon.fr [Université de Lyon, Institut des Nanotechnologies de Lyon–INL, UMR CNRS 5270, Site Ecole Centrale de Lyon, 36 Avenue Guy de Collongue, F-69134 Ecully Cedex (France); Salvia, Marie-Virginie; Chevolot, Yann; Souteyrand, Eliane [Université de Lyon, Institut des Nanotechnologies de Lyon–INL, UMR CNRS 5270, Site Ecole Centrale de Lyon, 36 Avenue Guy de Collongue, F-69134 Ecully Cedex (France)

2014-03-15

Highlights: • New magnetic/fluorescent nanoparticles were synthesized. • The silver core led to a maximum 4-fold enhanced fluorescence of fluorophore. • Maximum enhancement factor was obtained when metal-fluorophore distance is 5 nm. • Magnetism and fluorescence appeared simultaneously for nanoparticles in solution. -- Abstract: Nanoparticles composed of a silver core coated with a silica shell (Ag@SiO{sub 2}) were prepared. A dye, fluorescein isothiocyanate (FITC), was further encapsulated during the growth of a second silica shell onto Ag@SiO{sub 2} nanoparticles. The proximity of silver nanoparticles led to a 4-fold maximal enhancement in the fluorescence of FITC when the first silica shell thickness was set at 5 nm. After amino-functionalization of Ag@SiO{sub 2}-FITC nanoparticles, iron oxide nanoparticles were bonded to their surface. The magnetic and metal-enhanced fluorescence properties appeared simultaneously when Ag@SiO{sub 2}-FITC-Fe{sub 3}O{sub 4} hybrid nanoparticles were dispersed in a solution.

Radiolabeling Silica-Based Nanoparticles via Coordination Chemistry: Basic Principles, Strategies, and Applications.

Science.gov (United States)

Ni, Dalong; Jiang, Dawei; Ehlerding, Emily B; Huang, Peng; Cai, Weibo

2018-03-20

As one of the most biocompatible and well-tolerated inorganic nanomaterials, silica-based nanoparticles (SiNPs) have received extensive attention over the last several decades. Recently, positron emission tomography (PET) imaging of radiolabeled SiNPs has provided a highly sensitive, noninvasive, and quantitative readout of the organ/tissue distribution, pharmacokinetics, and tumor targeting efficiency in vivo, which can greatly expedite the clinical translation of these promising NPs. Encouraged by the successful PET imaging of patients with metastatic melanoma using 124 I-labeled ultrasmall SiNPs (known as Cornell dots or C dots) and their approval as an Investigational New Drug (IND) by the United States Food and Drug Administration, different radioisotopes ( 64 Cu, 89 Zr, 18 F, 68 Ga, 124 I, etc.) have been reported to radiolabel a wide variety of SiNPs-based nanostructures, including dense silica (dSiO 2 ), mesoporous silica (MSN), biodegradable mesoporous silica (bMSN), and hollow mesoporous silica nanoparticles (HMSN). With in-depth knowledge of coordination chemistry, abundant silanol groups (-Si-O-) on the silica surface or inside mesoporous channels not only can be directly used for chelator-free radiolabeling but also can be readily modified with the right chelators for chelator-based labeling. However, integrating these labeling strategies for constructing stably radiolabeled SiNPs with high efficiency has proven difficult because of the complexity of the involved key parameters, such as the choice of radioisotopes and chelators, nanostructures, and radiolabeling strategy. In this Account, we present an overview of recent progress in the development of radiolabeled SiNPs for cancer theranostics in the hope of speeding up their biomedical applications and potential translation into the clinic. We first introduce the basic principles and mechanisms for radiolabeling SiNPs via coordination chemistry, including general rules of selecting proper

Thermophysical properties of U3Si to 1150 K

International Nuclear Information System (INIS)

White, J.T.; Nelson, A.T.; Byler, D.D.; Valdez, J.A.; McClellan, K.J.

2014-01-01

U 3 Si has the highest uranium density of the U–Si compounds, making it an attractive option for specialized reactor applications. Although the compound has been used in research and test reactors for nearly six decades, little data has been published in the literature which characterizes the thermophysical properties at elevated temperatures. A systematic study was conducted on U 3 Si to characterize thermal expansion, heat capacity, thermal diffusivity, and thermal conductivity as a function of temperature to 1150 K. Thermophysical properties were also tabulated for the high temperature δ ′ -U 3 Si phase as a function of temperature, which has not been reported previously

Confronto Inter-Aziendale sulle Macchine di Misura a Coordinate tramite un Piatto Opto-Tattile

DEFF Research Database (Denmark)

De Chiffre, Leonardo

2005-01-01

Si è recentemente concluso un confronto inter-aziendale sulle macchine di misura a coordinate basato sull'utilizzo di un piatto opto-tattile. Il progetto denominato "CIRP Comparison of Coordinate Measuring Machines using an Optomechanical Hole Plate" è constitito in un confronto interlaboratori i...... tesi di dottorato [3]. Il report finale [1] è a disposizione dei membri interessati sul sito del CMM Club mentre il presente articolo è in gran parte tratto dalla memoria...

Evaluation of Vocal Fold Motion Abnormalities: Are We All Seeing the Same Thing?

Science.gov (United States)

Madden, Lyndsay L; Rosen, Clark A

2017-01-01

Flexible laryngoscopy is the principle tool for the evaluation of vocal fold motion. As of yet, no consistent, unified outcome metric has been developed for vocal fold paralysis/immobility research. The goal of this study was to evaluate vocal fold motion assessment (inter- and intra-rater reliability) among general otolaryngologists and fellowship-trained laryngologists. Prospective video perceptual analysis study. Flexible laryngoscopic examinations, with sound, of 15 unique patient cases (20 seconds each) were sent to 10 general otolaryngologists and 10 fellowship-trained laryngologists blinded to clinical history. Reviewers were given written definitions of vocal fold mobility and immobility and two video examples. The cases included bilateral vocal fold mobility (six), unilateral vocal fold immobility (five), and unilateral vocal fold hypomobility (four). Five examinations were repeated to determine intra-rater reliability. Participants were asked to judge if there was or there was no purposeful motion, as described by written definitions, for each vocal fold (800 tokens in total). Twenty reviewers (100%) replied. Both general otolaryngologists and fellowship-trained laryngologists had an overall inter-rater reliability of 95%. Difference in inter-rater reliability between the two groups of raters was negligible: 95% for general otolaryngologists and 97.5% for fellowship-trained laryngologists. There was no variability in intra-rater reliability within either rater group (99%). Intra- and inter-rater agreement in determining whether the patient had purposeful vocal fold motion on flexible laryngoscopic examination was excellent in both groups. This study demonstrates that otolaryngologists can consistently and accurately judge the presence and the absence of vocal fold motion. Copyright © 2017 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Vocal fold granulomas in six brachycephalic dogs: clinical, macroscopical and histological features.

Science.gov (United States)

Sarran, D; Caron, A; Billet, J P

2018-06-05

Vocal cord granulomas are rarely observed in brachycephalic breeds but often reported in humans as contact granulomas. Six French bulldogs were included in this retrospective descriptive study. Endoscopic laryngeal examinations were performed on all dogs under general anaesthesia. Vocal cord lesions were exclusively unilateral, exophytic, approximately 3-mm wide ulcerated mucosal nodules, arising from the vocal cord. Histopathological examination mainly revealed chronic inflammatory changes on the laryngeal epithelium which were consistent with laryngeal granulomas described in humans, except for the location: vocal cord in dogs versus vocal process in humans. In humans, granulomas result from chronic physical or chemical insult to laryngeal mucosa (chronic cough or throat clearing, vocal abuse, gastro-esophageal reflux). In brachycephalic breeds, chronic inspiratory efforts and air turbulences and gastro-esophageal reflux are suspected to result in chronic laryngeal inflammation. © 2018 British Small Animal Veterinary Association.

Anatomical study of minor alterations in neonate vocal folds.

Science.gov (United States)

Silva, Adriano Rezende; Machado, Almiro José; Crespo, Agrício Nubiato

2014-01-01

Minor structural alterations of the vocal fold cover are frequent causes of voice abnormalities. They may be difficult to diagnose, and are expressed in different manners. Cases of intracordal cysts, sulcus vocalis, mucosal bridge, and laryngeal micro-diaphragm form the group of minor structural alterations of the vocal fold cover investigated in the present study. The etiopathogenesis and epidemiology of these alterations are poorly known. To evaluate the existence and anatomical characterization of minor structural alterations in the vocal folds of newborns. 56 larynxes excised from neonates of both genders were studied. They were examined fresh, or defrosted after conservation via freezing, under a microscope at magnifications of 25× and 40×. The vocal folds were inspected and palpated by two examiners, with the aim of finding minor structural alterations similar to those described classically, and other undetermined minor structural alterations. Larynges presenting abnormalities were submitted to histological examination. Six cases of abnormalities were found in different larynges: one (1.79%) compatible with a sulcus vocalis and five (8.93%) compatible with a laryngeal micro-diaphragm. No cases of cysts or mucosal bridges were found. The observed abnormalities had characteristics similar to those described in other age groups. Abnormalities similar to sulcus vocalis or micro-diaphragm may be present at birth. Copyright © 2014 Associação Brasileira de Otorrinolaringologia e Cirurgia Cérvico-Facial. Published by Elsevier Editora Ltda. All rights reserved.

A ribonuclease coordinates siRNA amplification and mRNA cleavage during RNAi.

Science.gov (United States)

Tsai, Hsin-Yue; Chen, Chun-Chieh G; Conte, Darryl; Moresco, James J; Chaves, Daniel A; Mitani, Shohei; Yates, John R; Tsai, Ming-Daw; Mello, Craig C

2015-01-29

Effective silencing by RNA-interference (RNAi) depends on mechanisms that amplify and propagate the silencing signal. In some organisms, small-interfering RNAs (siRNAs) are amplified from target mRNAs by RNA-dependent RNA polymerase (RdRP). Both RdRP recruitment and mRNA silencing require Argonaute proteins, which are generally thought to degrade RNAi targets by directly cleaving them. However, in C. elegans, the enzymatic activity of the primary Argonaute, RDE-1, is not required for silencing activity. We show that RDE-1 can instead recruit an endoribonuclease, RDE-8, to target RNA. RDE-8 can cleave RNA in vitro and is needed for the production of 3' uridylated fragments of target mRNA in vivo. We also find that RDE-8 promotes RdRP activity, thereby ensuring amplification of siRNAs. Together, our findings suggest a model in which RDE-8 cleaves target mRNAs to mediate silencing, while generating 3' uridylated mRNA fragments to serve as templates for the RdRP-directed amplification of the silencing signal. Copyright © 2015 Elsevier Inc. All rights reserved.

Monochloro non-bridged half-metallocene-type zirconium complexes containing phosphine oxide-(thio)phenolate chelating ligands as efficient ethylene polymerization catalysts.

Science.gov (United States)

Tang, Xiao-Yan; Wang, Yong-Xia; Liu, San-Rong; Liu, Jing-Yu; Li, Yue-Sheng

2013-01-14

A series of novel monochloro half-zirconocene complexes containing phosphine oxide-(thio)phenolate chelating ligands of the type, ClCp'Zr[X-2-R(1)-4-R(2)-6-(Ph(2)P=O)C(6)H(2)](2) (Cp' = C(5)H(5), 2a: X = O, R(1) = Ph, R(2) = H; 2b: X = O, R(1) = F, R(2) = H; 2c: X = O, R(1) = (t)Bu, R(2) = H; 2d: X = O, R(1) = R(2) = (t)Bu; 2e: X = O, R(1) = SiMe(3), R(2) = H; 2f: X = S, R(1) = SiMe(3), R(2) = H; Cp' = C(5)Me(5), 2g: X = O, R(1) = SiMe(3), R(2) = H), have been synthesized in high yields. These complexes were identified by (1)H {(13)C} NMR and elemental analyses. Structures for 2b, 2c and 2f were further confirmed by X-ray crystallography. Structural characterization of these complexes reveals crowded environments around the zirconium. Complexes 2b and 2c adopt six-coordinate, distorted octahedral geometry around the zirconium center, in which the equatorial positions are occupied by three oxygen atoms of two chelating phosphine oxide-bridged phenolate ligands and a chlorine atom. The cyclopentadienyl ring and one oxygen atom of the ligand are coordinated on the axial position. Complex 2f also folds a six-coordinate, distorted octahedral geometry around the Zr center, consisting of a Cp-Zr-O (in P=O) axis [177.16°] and a distorted plane of two sulfur atoms and one oxygen atom of two chelating phosphine oxide-bridged thiophenolate ligands as well as a chlorine atom. When activated by modified methylaluminoxane (MMAO), all the complexes exhibited high activities towards ethylene polymerization at high temperature (75 °C), giving high molecular weight polymers with unimodal molecular weight distribution. The formation of 14-electron, cationic metal alkyl species might come from the Zr-O (in phenol ring) bond cleavage based on the DFT calculations study.

N-Heterocyclic Carbene Coinage Metal Complexes of the Germanium-Rich Metalloid Clusters [Ge9R3]− and [Ge9RI2]2− with R = Si(iPr3 and RI = Si(TMS3

Directory of Open Access Journals (Sweden)

Felix S. Geitner

2017-07-01

Full Text Available We report on the synthesis of novel coinage metal NHC (N-heterocyclic carbene compounds of the germanium-rich metalloid clusters [Ge9R3]− and [Ge9RI2]2− with R = Si(iPr3 and RI = Si(TMS3. NHCDippCu{η3Ge9R3} with R = Si(iPr3 (1 represents a less bulky silyl group-substituted derivative of the known analogous compounds with R = Si(iBu3 or Si(TMS3. The coordination of the [NHCDippCu]+ moiety to the cluster unit occurs via one triangular face of the tri-capped trigonal prismatic [Ge9] cluster. Furthermore, a series of novel Zintl cluster coinage metal NHC compounds of the type (NHCM2{η3Ge9RI2} (RI = Si(TMS3 M = Cu, Ag and Au; NHC = NHCDipp or NHCMes is presented. These novel compounds represent a new class of neutral dinuclear Zintl cluster coinage metal NHC compounds, which are obtained either by the stepwise reaction of a suspension of K12Ge17 with Si(TMS3Cl and the coinage metal carbene complexes NHCMCl (M = Cu, Ag, Au, or via a homogenous reaction using the preformed bis-silylated cluster K2[Ge9(Si(TMS32] and the corresponding NHCMCl (M = Cu, Ag, Au complex. The molecular structures of NHCDippCu{η3Ge9(Si(iPr33} (1 and (NHCDippCu2{η3-Ge9(Si(TMS32} (2 were determined by single crystal X-ray diffraction methods. In 2, the coordination of the [NHCDippCu]+ moieties to the cluster unit takes place via both open triangular faces of the [Ge9] entity. Furthermore, all compounds were characterized by means of NMR spectroscopy (1H, 13C, 29Si and ESI-MS.

Effect of annealing on SiO{sub x}-TiO{sub 2} axial heterostructure nanowires and improved photodetection

Energy Technology Data Exchange (ETDEWEB)

Dhar, J. C.; Singh, N. K. [Department of Electronics and Communication Engineering, National Institute of Technology Nagaland, Dimapur, Nagaland 797103 (India); Mondal, A., E-mail: aniruddhamo@gmail.com; Chakrabartty, S. [Department of Electronics and Communication Engineering, National Institute of Technology Agartala, Jirania, Tripura (West) 799055 (India); Bhattacharyya, A. [Department of Radio Physics and Electronics, University of Calcutta, Kolkata 700009 (India); Chattopadhyay, K. K. [Department of Physics, Jadavpur University, Kolkata 700032 (India)

2013-12-28

Glancing angle deposition technique has been used to synthesize the axial heterostructure SiO{sub x}-TiO{sub 2} nanowires (NWs) on the Si substrate. The field emission gun scanning electron microscope image shows the formation of perpendicular NWs on Si substrate. A typical transmission electron microscope image confirms the heterostructure NW which consists of SiO{sub x} of length ∼130 nm and TiO{sub 2} of length ∼170 nm. The amorphous NWs transformed to polycrystalline nature after annealing. The trap assisted radiative recombination process is absent for the annealed NWs. An averagely 1.1 fold enhanced photoabsorption was exhibited by the annealed NWs in the 200–350 nm region and 1.5 fold in the 500–850 nm region. The leakage current (2.6 × 10{sup −8} A/cm{sup 2} at −0.5 V) significantly reduced for annealed NWs device. A maximum 1.4 × 10{sup 3} times enlarged photodetection has been observed for annealed device.

Improving protein fold recognition by extracting fold-specific features from predicted residue-residue contacts.

Science.gov (United States)

Zhu, Jianwei; Zhang, Haicang; Li, Shuai Cheng; Wang, Chao; Kong, Lupeng; Sun, Shiwei; Zheng, Wei-Mou; Bu, Dongbo

2017-12-01

Accurate recognition of protein fold types is a key step for template-based prediction of protein structures. The existing approaches to fold recognition mainly exploit the features derived from alignments of query protein against templates. These approaches have been shown to be successful for fold recognition at family level, but usually failed at superfamily/fold levels. To overcome this limitation, one of the key points is to explore more structurally informative features of proteins. Although residue-residue contacts carry abundant structural information, how to thoroughly exploit these information for fold recognition still remains a challenge. In this study, we present an approach (called DeepFR) to improve fold recognition at superfamily/fold levels. The basic idea of our approach is to extract fold-specific features from predicted residue-residue contacts of proteins using deep convolutional neural network (DCNN) technique. Based on these fold-specific features, we calculated similarity between query protein and templates, and then assigned query protein with fold type of the most similar template. DCNN has showed excellent performance in image feature extraction and image recognition; the rational underlying the application of DCNN for fold recognition is that contact likelihood maps are essentially analogy to images, as they both display compositional hierarchy. Experimental results on the LINDAHL dataset suggest that even using the extracted fold-specific features alone, our approach achieved success rate comparable to the state-of-the-art approaches. When further combining these features with traditional alignment-related features, the success rate of our approach increased to 92.3%, 82.5% and 78.8% at family, superfamily and fold levels, respectively, which is about 18% higher than the state-of-the-art approach at fold level, 6% higher at superfamily level and 1% higher at family level. An independent assessment on SCOP_TEST dataset showed consistent

Shape-dependent conversion efficiency of Si nanowire solar cells with polygonal cross-sections

International Nuclear Information System (INIS)

He, Yan; Yu, Wangbing; Ouyang, Gang

2016-01-01

A deeper insight into shape-dependent power conversion efficiency (PCE) of Si nanowire (SiNW) solar cells with polygonal cross-sectional shapes, including trigon, tetragon, hexagon, and circle, has been explored based on the atomic-bond-relaxation approach and detailed balance principle. It has been found that the surface effect induced by the loss-coordination atoms located at edges and surfaces, as well as the thermal effect, plays the dominant roles for the band shift and PCE of SiNWs due to the lattice strain occurrence at the self-equilibrium state. Our predictions are consistent with the available evidences, providing an important advance in the development of Si-based nanostructures for the desirable applications.

Motivic amplitudes and cluster coordinates

International Nuclear Information System (INIS)

Golden, J.K.; Goncharov, A.B.; Spradlin, M.; Vergu, C.; Volovich, A.

2014-01-01

In this paper we study motivic amplitudes — objects which contain all of the essential mathematical content of scattering amplitudes in planar SYM theory in a completely canonical way, free from the ambiguities inherent in any attempt to choose particular functional representatives. We find that the cluster structure on the kinematic configuration space Conf n (ℙ 3 ) underlies the structure of motivic amplitudes. Specifically, we compute explicitly the coproduct of the two-loop seven-particle MHV motivic amplitude A 7,2 M and find that like the previously known six-particle amplitude, it depends only on certain preferred coordinates known in the mathematics literature as cluster X-coordinates on Conf n (ℙ 3 ). We also find intriguing relations between motivic amplitudes and the geometry of generalized associahedrons, to which cluster coordinates have a natural combinatoric connection. For example, the obstruction to A 7,2 M being expressible in terms of classical polylogarithms is most naturally represented by certain quadrilateral faces of the appropriate associahedron. We also find and prove the first known functional equation for the trilogarithm in which all 40 arguments are cluster X-coordinates of a single algebra. In this respect it is similar to Abel’s 5-term dilogarithm identity

Rapid measurement of residual dipolar couplings for fast fold elucidation of proteins

Energy Technology Data Exchange (ETDEWEB)

Rasia, Rodolfo M. [Jean-Pierre Ebel CNRS/CEA/UJF, Institut de Biologie Structurale (France); Lescop, Ewen [CNRS, Institut de Chimie des Substances Naturelles (France); Palatnik, Javier F. [Universidad Nacional de Rosario, Instituto de Biologia Molecular y Celular de Rosario, Facultad de Ciencias Bioquimicas y Farmaceuticas (Argentina); Boisbouvier, Jerome, E-mail: jerome.boisbouvier@ibs.fr; Brutscher, Bernhard, E-mail: Bernhard.brutscher@ibs.fr [Jean-Pierre Ebel CNRS/CEA/UJF, Institut de Biologie Structurale (France)

2011-11-15

It has been demonstrated that protein folds can be determined using appropriate computational protocols with NMR chemical shifts as the sole source of experimental restraints. While such approaches are very promising they still suffer from low convergence resulting in long computation times to achieve accurate results. Here we present a suite of time- and sensitivity optimized NMR experiments for rapid measurement of up to six RDCs per residue. Including such an RDC data set, measured in less than 24 h on a single aligned protein sample, greatly improves convergence of the Rosetta-NMR protocol, allowing for overnight fold calculation of small proteins. We demonstrate the performance of our fast fold calculation approach for ubiquitin as a test case, and for two RNA-binding domains of the plant protein HYL1. Structure calculations based on simulated RDC data highlight the importance of an accurate and precise set of several complementary RDCs as additional input restraints for high-quality de novo structure determination.

Uranium(VI) coordination polymers with pyromellitate ligand: Unique 1D channel structures and diverse fluorescence

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yingjie, E-mail: yzx@ansto.gov.au [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Bhadbhade, Mohan [Mark Wainwright Analytical Centre, University of New South Wales, Kensington, NSW 2052 (Australia); Karatchevtseva, Inna [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Price, Jason R. [Australian Synchrotron, 800 Blackburn Road, Clayton, VIC 3168 (Australia); Liu, Hao [Centre for Clean Energy Technology, School of Chemistry and Forensic Science, University of Technology Sydney, PO Box 123, Broadway, Sydney, NSW 2007 (Australia); Zhang, Zhaoming; Kong, Linggen [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia); Čejka, Jiří [Department of Mineralogy, National Museum, Václavské náměstí, 68, Prague 1, 115 79-CZ (Czech Republic); Lu, Kim; Lumpkin, Gregory R. [Australian Nuclear Science and Technology Organization, Locked Bag 2001, Kirrawee DC, NSW 2232 (Australia)

2015-03-15

Three new coordination polymers of uranium(VI) with pyromellitic acid (H{sub 4}btca) have been synthesized and structurally characterized. (ED)[(UO{sub 2})(btca)]·(DMSO)·3H{sub 2}O (1) (ED=ethylenediammonium; DMSO=dimethylsulfoxide) has a lamellar structure with intercalation of ED and DMSO. (NH{sub 4}){sub 2}[(UO{sub 2}){sub 6}O{sub 2}(OH){sub 6}(btca)]·~6H{sub 2}O (2) has a 3D framework built from 7-fold coordinated uranyl trinuclear units and btca ligands with 1D diamond-shaped channels (~8.5 Å×~8.6 Å). [(UO{sub 2}){sub 2}(H{sub 2}O)(btca)]·4H{sub 2}O (3) has a 3D network constructed by two types of 7-fold coordinated uranium polyhedron. The unique μ{sub 5}-coordination mode of btca in 3 enables the formation of 1D olive-shaped large channels (~4.5 Å×~19 Å). Vibrational modes, thermal stabilities and fluorescence properties have been investigated. - Graphical abstract: Table of content: three new uranium(VI) coordination polymers with pyromellitic acid (H{sub 4}btca) have been synthesized via room temperature and hydrothermal synthesis methods, and structurally characterized. Two to three dimensional (3D) frameworks are revealed. All 3D frameworks have unique 1D large channels. Their vibrational modes, thermal stabilities and photoluminescence properties have been investigated. - Highlights: • Three new coordination polymers of U(VI) with pyromellitic acid (H{sub 4}btca). • Structures from a 2D layer to 3D frameworks with unique 1D channels. • Unusual µ{sub 5}-(η{sub 1}:η{sub 2}:η{sub 1}:η{sub 2:}η{sub 1}) coordination mode of btca ligand. • Vibrational modes, thermal stabilities and luminescent properties reported.

Nail-fold excision for the treatment of ingrown toenail in children.

Science.gov (United States)

Haricharan, Ramanath N; Masquijo, Javier; Bettolli, Marcos

2013-02-01

To evaluate the effectiveness of the nail-fold excision procedure in children. Prospectively collected data on patients less than 18 years of age who underwent a nail-fold excision for symptomatic ingrown toenail were analyzed. Patients were seen in 2 centers and data collected included demographics, site of ingrown toenail, complications (including recurrence), patient satisfaction, and duration of follow-up. Overall, 67 procedures were performed on 50 patients between June 2009 and July 2011 at the 2 institutions. The mean age was 14 years (range, 9-18 years) and 30 were male patients. No recurrences were seen after a follow-up for a median of 14 months (range 6-28 months). Patients were very satisfied with the cosmetic outcomes. Six minor complications occurred, including 3 patients with bleeding requiring dressing change, 2 with excessive granulation tissue, and 1 with nail growth abnormality. The nail-fold excision technique is highly effective in the pediatric population, with no recurrence, excellent cosmesis, and very high patient satisfaction. Copyright © 2013 Mosby, Inc. All rights reserved.

Non-cylindrical fold growth in the Zagros fold and thrust belt (Kurdistan, NE-Iraq)

Science.gov (United States)

Bartl, Nikolaus; Bretis, Bernhard; Grasemann, Bernhard; Lockhart, Duncan

2010-05-01

The Zagros mountains extends over 1800 km from Kurdistan in N-Iraq to the Strait of Hormuz in Iran and is one of the world most promising regions for the future hydrocarbon exploration. The Zagros Mountains started to form as a result of the collision between the Eurasian and Arabian Plates, whose convergence began in the Late Cretaceous as part of the Alpine-Himalayan orogenic system. Geodetic and seismological data document that both plates are still converging and that the fold and thrust belt of the Zagros is actively growing. Extensive hydrocarbon exploration mainly focuses on the antiforms of this fold and thrust belt and therefore the growth history of the folds is of great importance. This work investigates by means of structural field work and quantitative geomorphological techniques the progressive fold growth of the Permam, Bana Bawi- and Safeen- Anticlines located in the NE of the city of Erbil in the Kurdistan region of Northern Iraq. This part of the Zagros fold and thrust belt belongs to the so-called Simply Folded Belt, which is dominated by gentle to open folding. Faults or fault related folds have only minor importance. The mechanical anisotropy of the formations consisting of a succession of relatively competent (massive dolomite and limestone) and incompetent (claystone and siltstone) sediments essentially controls the deformation pattern with open to gentle parallel folding of the competent layers and flexural flow folding of the incompetent layers. The characteristic wavelength of the fold trains is around 10 km. Due to faster erosion of the softer rock layers in the folded sequence, the more competent lithologies form sharp ridges with steeply sloping sides along the eroded flanks of the anticlines. Using an ASTER digital elevation model in combination with geological field data we quantified 250 drainage basins along the different limbs of the subcylindrical Permam, Bana Bawi- and Safeen- Anticlines. Geomorphological indices of the drainage

Nanoscale Dewetting Transition in Protein Complex Folding

Science.gov (United States)

Hua, Lan; Huang, Xuhui; Liu, Pu; Zhou, Ruhong; Berne, Bruce J.

2011-01-01

In a previous study, a surprising drying transition was observed to take place inside the nanoscale hydrophobic channel in the tetramer of the protein melittin. The goal of this paper is to determine if there are other protein complexes capable of displaying a dewetting transition during their final stage of folding. We searched the entire protein data bank (PDB) for all possible candidates, including protein tetramers, dimers, and two-domain proteins, and then performed the molecular dynamics (MD) simulations on the top candidates identified by a simple hydrophobic scoring function based on aligned hydrophobic surface areas. Our large scale MD simulations found several more proteins, including three tetramers, six dimers, and two two-domain proteins, which display a nanoscale dewetting transition in their final stage of folding. Even though the scoring function alone is not sufficient (i.e., a high score is necessary but not sufficient) in identifying the dewetting candidates, it does provide useful insights into the features of complex interfaces needed for dewetting. All top candidates have two features in common: (1) large aligned (matched) hydrophobic areas between two corresponding surfaces, and (2) large connected hydrophobic areas on the same surface. We have also studied the effect on dewetting of different water models and different treatments of the long-range electrostatic interactions (cutoff vs PME), and found the dewetting phenomena is fairly robust. This work presents a few proteins other than melittin tetramer for further experimental studies of the role of dewetting in the end stages of protein folding. PMID:17608515

Vocal Fold Paralysis as a Delayed Consequence of Neck and Chest Radiotherapy.

Science.gov (United States)

Crawley, Brianna K; Sulica, Lucian

2015-08-01

To describe a series of cases of vocal fold paralysis years after radiation therapy, including presentation, clinical course, and treatment. Case series with chart review. Tertiary care center. A review of 8 years of patient records yielded 10 patients (8 male and 2 female; average age 57 years [range, 29-76 years]) with vocal fold paralysis and a history of radiation therapy to the head, neck, or mediastinum. These patients did not have other possible etiologies of vocal fold paralysis. Demographic, diagnostic, clinical course, and treatment data were collected. On average, 21 years (range, 1-27 years) elapsed between completion of radiation and presentation with vocal fold paralysis. Original pathologies included Hodgkin lymphoma (5), squamous cell carcinoma of the head and neck (4), and peripheral T-cell lymphoma (1). Eight patients had unilateral left vocal fold paralysis, and 2 had bilateral neuropathy; none recovered spontaneously. All patients had dysphonia, and nearly all patients also complained of dysphagia. Six elected not to be treated. Four underwent injection augmentation with resolution of voice complaints. Radiation therapy has the potential to cause laryngeal neuropathy years to decades after treatment. The potential for recovery is low, but injection augmentation can relieve symptoms. Development of contralateral neuropathy and altered tissue response are considerations in treatment. © American Academy of Otolaryngology—Head and Neck Surgery Foundation 2015.

Transitions in Al Coordination during Gibbsite Crystallization Using High-Field ²⁷ Al and ²³ Na MAS NMR Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Hu, Jian Zhi [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Zhang, Xin [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Jaegers, Nicholas R. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Wan, Chuan [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Graham, Trent R. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Hu, Mary [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Pearce, Carolyn I. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Felmy, Andrew R. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Clark, Sue B. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Washington State University, Pullman, Washington 99164, United States; Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States

2017-11-30

Mechanisms of nucleation and growth of Al hydroxides such as gibbsite from aqueous solution, particularly in highly alkaline conditions, remain poorly understood. In this work, quantitative 27Al and 22Na MAS NMR experiments were conducted on solid samples extracted from the crystallization of gibbsite from an amorphous aluminum hydroxide gel precursor. The use of high magnetic field and fast sample spinning allowed transitional tetrahedral (AlT) and pentahedral (AlP) aluminum species to be observed along with the octahedral aluminum (AlO) that dominates the gibbsite product. Low-coordinated Al species could be detected at concentrations as low as 0.1% of the total Al sites. It is established that (a) AlT and AlP coexist on the surface of growing gibbsites even with a combined percentage over the total Al sites of less than 1%; (b) Different synthesis methods generate gibbsite with varying amounts of low-coordinated Al; (c) the amorphous gel precursor contains a significant amount of low-coordinated Al sites with AO: AlP: AlT ratios of approximately 4:2:1; (d) upon hydration, the external, low-coordinated Al sites become six-fold coordinated by interacting with the oxygen in H2O and the 27Al MAS NMR peak position shifts to that for the AlO sites; (e) gibbsite with increased long range order is synthesized over longer times by gradually incorporating residual AlP and AlT sites into octahedrally-coordinated AlO sites; (f) trace Na is predominantly a surface species on gibbsite particles. These findings provide a basis for understanding the gibbsite crystallization mechanism, along with a general means of characterizing gibbsite surface properties that are of equal importance for understanding related processes such as dissolution behavior.

NoFold: RNA structure clustering without folding or alignment.

Science.gov (United States)

Middleton, Sarah A; Kim, Junhyong

2014-11-01

Structures that recur across multiple different transcripts, called structure motifs, often perform a similar function-for example, recruiting a specific RNA-binding protein that then regulates translation, splicing, or subcellular localization. Identifying common motifs between coregulated transcripts may therefore yield significant insight into their binding partners and mechanism of regulation. However, as most methods for clustering structures are based on folding individual sequences or doing many pairwise alignments, this results in a tradeoff between speed and accuracy that can be problematic for large-scale data sets. Here we describe a novel method for comparing and characterizing RNA secondary structures that does not require folding or pairwise alignment of the input sequences. Our method uses the idea of constructing a distance function between two objects by their respective distances to a collection of empirical examples or models, which in our case consists of 1973 Rfam family covariance models. Using this as a basis for measuring structural similarity, we developed a clustering pipeline called NoFold to automatically identify and annotate structure motifs within large sequence data sets. We demonstrate that NoFold can simultaneously identify multiple structure motifs with an average sensitivity of 0.80 and precision of 0.98 and generally exceeds the performance of existing methods. We also perform a cross-validation analysis of the entire set of Rfam families, achieving an average sensitivity of 0.57. We apply NoFold to identify motifs enriched in dendritically localized transcripts and report 213 enriched motifs, including both known and novel structures. © 2014 Middleton and Kim; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

Increase in impaired motor coordination in six-year-old German children between 1990 and 2007

NARCIS (Netherlands)

Seelaender, J.; Fidler, V.; Hadders-Algra, M.

Aim To evaluate changes in prevalence of impaired motor coordination among 6-year-olds of a geographically defined area in Germany between the years 1990 and 2007. Methods Data from the obligatory school entrance examinations in the German state of North Rhine Westphalia between the years 1990 and

Glycoprotein folding and quality-control mechanisms in protein-folding diseases

Directory of Open Access Journals (Sweden)

Sean P. Ferris

2014-03-01

Full Text Available Biosynthesis of proteins – from translation to folding to export – encompasses a complex set of events that are exquisitely regulated and scrutinized to ensure the functional quality of the end products. Cells have evolved to capitalize on multiple post-translational modifications in addition to primary structure to indicate the folding status of nascent polypeptides to the chaperones and other proteins that assist in their folding and export. These modifications can also, in the case of irreversibly misfolded candidates, signal the need for dislocation and degradation. The current Review focuses on the glycoprotein quality-control (GQC system that utilizes protein N-glycosylation and N-glycan trimming to direct nascent glycopolypeptides through the folding, export and dislocation pathways in the endoplasmic reticulum (ER. A diverse set of pathological conditions rooted in defective as well as over-vigilant ER quality-control systems have been identified, underlining its importance in human health and disease. We describe the GQC pathways and highlight disease and animal models that have been instrumental in clarifying our current understanding of these processes.

Evaluation of field emission properties from multiple-stacked Si quantum dots

International Nuclear Information System (INIS)

Takeuchi, Daichi; Makihara, Katsunori; Ohta, Akio; Ikeda, Mitsuhisa; Miyazaki, Seiichi

2016-01-01

Multiple-stacked Si quantum dots (QDs) with ultrathin SiO 2 interlayers were formed on ultrathin SiO 2 layers by repeating a process sequence consisting of the formation of Si-QDs by low pressure chemical vapor deposition using a SiH 4 gas and the surface oxidation and subsequent surface modification by remote hydrogen and oxygen plasmas, respectively. To clarify the electron emission mechanism from multiple-stacked Si-QDs covered with an ultrathin Au top electrode, the energy distribution of the emitted electrons and its electric field dependence was measured using a hemispherical electron energy analyzer in an X-ray photoelectron spectroscopy system under DC bias application to the multiple-stacked Si-QD structure. At − 6 V and over, the energy distributions reached a peak at ~ 2.5 eV with a tail toward the higher energy side. While the electron emission intensity was increased exponentially with an increase in the applied DC bias, there was no significant increase in the emission peak energy. The observed emission characteristics can be interpreted in terms of field emissions from the second and/or third topmost Si-QDs resulting from the electric concentration there. - Highlights: • Electron field emission from 6-fold stack of Si-QDs has been evaluated. • AFM measurements show the local electron emission from individual Si-QDs. • Impact of applied bias on the electron emission energy distribution was investigated.

Luminescence properties of CdSiO3:Mn2+ phosphor

International Nuclear Information System (INIS)

Lei Bingfu; Liu Yingliang; Ye Zeren; Shi Chunshan

2004-01-01

A novel long-lasting phosphor CdSiO 3 :Mn 2+ is reported in this paper. The Mn 2+ -doped CdSiO 3 phosphor emits orange light with CIE chromaticity coordinates x=0.5814 and y=0.4139 under 254 nm UV light excitation. In the emission spectrum of 1% Mn 2+ -doped CdSiO 3 phosphor, there is a broad emission band centered at 575 nm which can be attributed to the spin-forbidden transition of the d-orbital electron associated with the Mn 2+ ion. The phosphorescence can be seen by the naked eyes in the dark clearly even after the 254 nm UV irradiation have been removed for about 1 h. The mechanism of the origin of the long-lasting phosphorescence was discussed using the thermoluminescence curves

Adaptive leg coordination with a biologically inspired neurocontroller

Science.gov (United States)

Braught, Grant; Thomopoulos, Stelios C.

1996-10-01

Natural selection is responsible for the creation of robust and adaptive control systems. Nature's control systems are created only from primitive building blocks. Using insect neurophysiology as a guide, a neural architecture for leg coordination in a hexapod robot has been developed. Reflex chains and sensory feedback mechanisms from various insects and crustacea form the basis of a pattern generator for intra-leg coordination. The pattern generator contains neural oscillators which learn from sensory feedback to produce stepping patterns. Using sensory feedback as the source of learning information allows the pattern generator to adapt to changes in the leg dynamics due to internal or external causes. A coupling between six of the single leg pattern generators is used to produce the inter-leg coordination necessary to establish stable gaits.

Thermo-sensitive nanoparticles for triggered release of siRNA.

Science.gov (United States)

Yang, Zheng; Cheng, Qiang; Jiang, Qian; Deng, Liandong; Liang, Zicai; Dong, Anjie

2015-01-01

Efficient delivery of small interfering RNA (siRNA) is crucially required for cancer gene therapy. Herein, a thermo-sensitive copolymer with a simple structure, poly (ethylene glycol) methyl ether acrylate-b-poly (N-isopropylacrylamide) (mPEG-b-PNIPAM) was developed. A novel kind of thermo-sensitive nanoparticles (DENPs) was constructed for the cold-shock triggered release of siRNA by double emulsion-solvent evaporation method using mPEG-b-PNIPAM and a cationic lipid, 3β [N-(N', N'-dimethylaminoethane)-carbamoyl] cholesterol [DC-Chol]. DENPs were observed by transmission electron microscopy and dynamical light scattering before and after 'cold shock' treatment. The encapsulation efficiency (EE) of siRNA in DENPs, which was measured by fluorescence spectrophotometer was 96.8% while it was significantly reduced to be 23.2% when DC-Chol was absent. DENPs/siRNA NPs exhibited a thermo-sensitive siRNA release character that the cumulatively released amount of siRNA from cold shock was approximately 2.2 folds higher after 7 days. In vitro luciferase silencing experiments indicated that DENPs showed potent gene silencing efficacy in HeLa-Luc cells (HeLa cells steadily expressed luciferase), which was further enhanced by a cold shock. Furthermore, MTT assay showed that cell viability with DENPs/siRNA up to 200 nM remained above 80%. We also observed that most of siRNA was accumulated in kidney mediated by DENPs instead of liver and spleen in vivo experiments. Thus, DENPs as a cold shock responsive quick release model for siRNA or hydrophilic macromolecules delivery provide a new way to nanocarrier design and clinic therapy.

Electronic structure and chemical bonding in LaIrSi-type intermetallics

Energy Technology Data Exchange (ETDEWEB)

Matar, Samir F. [Bordeaux Univ., Pessac (France). CNRS; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Nakhl, Michel [Univ. Libanaise, Fanar (Lebanon). Ecole Doctorale Sciences et Technologies

2017-05-01

The cubic LaIrSi type has 23 representatives in aluminides, gallides, silicides, germanides, phosphides, and arsenides, all with a valence electron count of 16 or 17. The striking structural motif is a three-dimensional network of the transition metal (T) and p element (X) atoms with TX{sub 3/3} respectively XT{sub 3/3} coordination. Alkaline earth or rare earth atoms fill cavities within the polyanionic [TX]{sup δ-} networks. The present work presents a detailed theoretical study of chemical bonding in LaIrSi-type representatives, exemplarily for CaPtSi, BaIrP, BaAuGa, LaIrSi, CeRhSi, and CeIrSi. DFT-GGA-based electronic structure calculations show weakly metallic compounds with itinerant small magnitude DOSs at E{sub F} except for CeRhSi whose large Ce DOS at E{sub F} leads to a finite magnetization on Ce (0.73 μ{sub B}) and induced small moments of opposite sign on Rh and Si in a ferromagnetic ground state. The chemical bonding analyses show dominant bonding within the [TX]{sup δ-} polyanionic networks. Charge transfer magnitudes were found in accordance with the course of the electronegativites of the chemical constituents.

Improved Inverse Kinematics Algorithm Using Screw Theory for a Six-DOF Robot Manipulator

Directory of Open Access Journals (Sweden)

Qingcheng Chen

2015-10-01

Full Text Available Based on screw theory, a novel improved inverse-kinematics approach for a type of six-DOF serial robot, “Qianjiang I”, is proposed in this paper. The common kinematics model of the robot is based on the Denavit-Hartenberg (D-H notation method while its inverse kinematics has inefficient calculation and complicated solution, which cannot meet the demands of online real-time application. To solve this problem, this paper presents a new method to improve the efficiency of the inverse kinematics solution by introducing the screw theory. Unlike other methods, the proposed method only establishes two coordinates, namely the inertial coordinate and the tool coordinate; the screw motion of each link is carried out based on the inertial coordinate, ensuring definite geometric meaning. Furthermore, we adopt a new inverse kinematics algorithm, developing an improved sub-problem method along with Paden-Kahan sub-problems. This method has high efficiency and can be applied in real-time industrial operation. It is convenient to select the desired solutions directly from among multiple solutions by examining clear geometric meaning. Finally, the effectiveness and reliability performance of the new algorithm are analysed and verified in comparative experiments carried out on the six-DOF serial robot “Qianjiang I”.

EXAFS study on dynamic structural property of porous morph-genetic SiC

International Nuclear Information System (INIS)

Ding, J.; Sun, B.H.; Fan, T.X.; Zhang, D.; Kamada, M.; Ogawa, H.; Guo, Q.X.

2005-01-01

Novel porous morph-genetic silicon carbide has been fabricated through sintering treatment, after infiltrating the methyl organic silicone resin to the bio-template. Its dynamic transition of structure during sintering process is investigated by extended X-ray absorption fine structure (EXAFS) for the first time. By analyzing Si K-edge EXAFS, it is found that the coordination number of the nearest C shell remains almost unchanged while that of the nearest Si shell dramatically changes when the structure is transformed from amorphous into crystalline state

Folding of multidomain proteins: biophysical consequences of tethering even in apparently independent folding.

Science.gov (United States)

Arviv, Oshrit; Levy, Yaakov

2012-12-01

Most eukaryotic and a substantial fraction of prokaryotic proteins are composed of more than one domain. The tethering of these evolutionary, structural, and functional units raises, among others, questions regarding the folding process of conjugated domains. Studying the folding of multidomain proteins in silico enables one to identify and isolate the tethering-induced biophysical determinants that govern crosstalks generated between neighboring domains. For this purpose, we carried out coarse-grained and atomistic molecular dynamics simulations of two two-domain constructs from the immunoglobulin-like β-sandwich fold. Each of these was experimentally shown to behave as the "sum of its parts," that is, the thermodynamic and kinetic folding behavior of the constituent domains of these constructs seems to occur independently, with the folding of each domain uncoupled from the folding of its partner in the two-domain construct. We show that the properties of the individual domains can be significantly affected by conjugation to another domain. The tethering may be accompanied by stabilizing as well as destabilizing factors whose magnitude depends on the size of the interface, the length, and the flexibility of the linker, and the relative stability of the domains. Accordingly, the folding of a multidomain protein should not be viewed as the sum of the folding patterns of each of its parts, but rather, it involves abrogating several effects that lead to this outcome. An imbalance between these effects may result in either stabilization or destabilization owing to the tethering. Copyright © 2012 Wiley Periodicals, Inc.

Joint Coordination and Muscle Activities of Ballet Dancers During Tiptoe Standing.

Science.gov (United States)

Tanabe, Hiroko; Fujii, Keisuke; Kouzaki, Motoki

2017-01-01

We aimed to investigate joint coordination of lower limbs in dancers during tiptoe standing and the relationship between joint coordination and muscle coactivation. Seven female ballet dancers performed tiptoe standing with six leg positions (fi e classical dance positions and one modern dance position) for 10 s. The kinematic data of the metatarsophalangeal (MP), ankle, knee, and hip joints was collected, and surface electromyography (EMG) of over 13 lower limb muscles was conducted. Principal component analysis was performed to determine joint coordination. MP-ankle and ankle-knee had in-phase coordination, whereas knee-hip showed anti-phase coordination in the sagittal plane. In addition, most EMG-EMG coherence around the MP and ankle joints was significant up to 50 Hz when these two joints swayed with in-phase. This suggests that different joint coordination patterns are associated with neural processing related to different muscle coactivation patterns. In conclusion, ballet dancers showed in-phase coordination from the MP to knee joints, which was associated with muscle coactivation to a higher frequency domain (up to 50 Hz) in comparison with anti-phase coordination.

Bi-stable vocal fold adduction: a mechanism of modal-falsetto register shifts and mixed registration.

Science.gov (United States)

Titze, Ingo R

2014-04-01

The origin of vocal registers has generally been attributed to differential activation of cricothyroid and thyroarytenoid muscles in the larynx. Register shifts, however, have also been shown to be affected by glottal pressures exerted on vocal fold surfaces, which can change with loudness, pitch, and vowel. Here it is shown computationally and with empirical data that intraglottal pressures can change abruptly when glottal adductory geometry is changed relatively smoothly from convergent to divergent. An intermediate shape between large convergence and large divergence, namely, a nearly rectangular glottal shape with almost parallel vocal fold surfaces, is associated with mixed registration. It can be less stable than either of the highly angular shapes unless transglottal pressure is reduced and upper stiffness of vocal fold tissues is balanced with lower stiffness. This intermediate state of adduction is desirable because it leads to a low phonation threshold pressure with moderate vocal fold collision. Achieving mixed registration consistently across wide ranges of F0, lung pressure, and vocal tract shapes appears to be a balancing act of coordinating laryngeal muscle activation with vocal tract pressures. Surprisingly, a large transglottal pressure is not facilitative in this process, exacerbating the bi-stable condition and the associated register contrast.

Heterotic line bundle models on elliptically fibered Calabi-Yau three-folds

Science.gov (United States)

Braun, Andreas P.; Brodie, Callum R.; Lukas, Andre

2018-04-01

We analyze heterotic line bundle models on elliptically fibered Calabi-Yau three-folds over weak Fano bases. In order to facilitate Wilson line breaking to the standard model group, we focus on elliptically fibered three-folds with a second section and a freely-acting involution. Specifically, we consider toric weak Fano surfaces as base manifolds and identify six such manifolds with the required properties. The requisite mathematical tools for the construction of line bundle models on these spaces, including the calculation of line bundle cohomology, are developed. A computer scan leads to more than 400 line bundle models with the right number of families and an SU(5) GUT group which could descend to standard-like models after taking the ℤ2 quotient. A common and surprising feature of these models is the presence of a large number of vector-like states.

Toluene and chlorobenzene dinitration over solid H3PO4/MoO3/SiO2 catalyst

International Nuclear Information System (INIS)

Adamiak, Joanna; Kalinowska-Alichnewicz, Dorota; Szadkowski, Michal; Skupinski, Wincenty

2011-01-01

Highlights: → A novel catalyst H 3 PO 4 /MoO 3 /SiO 2 was characterized and used in nitration. → On the surface domains of phosphomolybdic acid (HPM) are obtained. → Dinitrotoluene is obtained with very high yield i.e. 96 wt.% in mild conditions. → Dinitrochlorobenzene is obtained with only twelve-fold excess of nitric acid. → It is sulfuric acid free and solvent free nitration of aromatic compounds. - Abstract: A new catalyst, H 3 PO 4 /MoO 3 /SiO 2 , was prepared by modification of MoO 3 /SiO 2 using phosphoric acid. The characterization of the catalyst was performed using Infrared and Raman Spectroscopy, potentiometric titration and nitrogen adsorption-desorption methods. Molybdenum oxides were identified along with phosphomolybdic acid and polymolybdates on the modified surface. The suitability of the catalysts for toluene and chlorobenzene nitration in continuous process was examined. Toluene is effectively nitrated to dinitrotoluene (DNT) in one-stage process (96 wt.% of DNT in the product) and in mild conditions i.e. at room temperature and only with ten-fold excess of nitric acid. In chlorobenzene nitration only twelve-fold excess of nitric acid is needed to obtain as high yield as 95 wt.%. Most importantly, the novel catalysts we have developed, provide the opportunity for sulfuric acid- free nitration of aromatic compounds.

RELATIONS BETWEEN ANTHROPOMETRIC CHARACTERISTICS AND COORDINATION IN PEOPLE WITH ABOVE-AVERAGE MOTOR ABILITIES

Directory of Open Access Journals (Sweden)

Milan Cvetković

2011-09-01

Full Text Available The sample of 149 male persons whose average age is 20.15 in decimal years (±0.83, and all of whom are students at the Faculty of Sport and Physical Education, underwent a battery of tests consisting of 17 anthropometric measures taken from the measures index of the International Biological Program and 4 tests designed to assess coordination as follows: Coordination with stick, Hand and leg drumming, Nonrhythmic drumming and Slalom with three balls. One statistically significant canonical correlation was determined by means of the canonical correlation analysis. The isolated canonical correlation from the space of coordination variables, was the one used for assessment of coordination of the whole body – Coordination with stick. On the other hand, out of the variables from the right array, the ones which covered longinality were singled out – Body height and Arm length, circular dimensionality – Circumference of stretched upper arm, Circumference of bent upper arm and Circumference of upper leg, as well as subcutaneous fat tissue – Skin fold of the back.

Coordination of hand shape.

Science.gov (United States)

Pesyna, Colin; Pundi, Krishna; Flanders, Martha

2011-03-09

The neural control of hand movement involves coordination of the sensory, motor, and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In the first experiment, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, and pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support, or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus, somatosensory and motor information appear to be coordinated in an object-based, spatial-coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness.

Sintering, structure, and mechanical properties of nanophase SiC: A molecular-dynamics and neutron scattering study

International Nuclear Information System (INIS)

Chatterjee, Alok; Kalia, Rajiv K.; Nakano, Aiichiro; Omeltchenko, Andrey; Tsuruta, Kenji; Vashishta, Priya; Loong, Chun-Keung; Winterer, Markus; Klein, Sylke

2000-01-01

Structure, mechanical properties, and sintering of nanostructured SiC (n-SiC) are investigated with neutron scattering and molecular-dynamics (MD) techniques. Both MD and the experiment indicate the onset of sintering around 1500 K. During sintering, the pores shrink while maintaining their morphology: the fractal dimension is ∼2 and the surface roughness exponent is ∼0.45. Structural analyses reveal that interfacial regions in n-SiC are disordered with nearly the same number of three- and fourfold coordinated Si atoms. The elastic moduli scale with the density as ∼ρ μ , where μ=3.4±0.1. (c) 2000 American Institute of Physics

Going beyond clustering in MD trajectory analysis: an application to villin headpiece folding.

Directory of Open Access Journals (Sweden)

Aruna Rajan

2010-04-01

Full Text Available Recent advances in computing technology have enabled microsecond long all-atom molecular dynamics (MD simulations of biological systems. Methods that can distill the salient features of such large trajectories are now urgently needed. Conventional clustering methods used to analyze MD trajectories suffer from various setbacks, namely (i they are not data driven, (ii they are unstable to noise and changes in cut-off parameters such as cluster radius and cluster number, and (iii they do not reduce the dimensionality of the trajectories, and hence are unsuitable for finding collective coordinates. We advocate the application of principal component analysis (PCA and a non-metric multidimensional scaling (nMDS method to reduce MD trajectories and overcome the drawbacks of clustering. To illustrate the superiority of nMDS over other methods in reducing data and reproducing salient features, we analyze three complete villin headpiece folding trajectories. Our analysis suggests that the folding process of the villin headpiece is structurally heterogeneous.

six six six paradox : [luuletused] / Triin Tasuja

Index Scriptorium Estoniae

Tasuja, Triin

2008-01-01

Sisu: six six six paradox ; cat stevens ; "vahel tundub, et mu ümber..." ; sääse ; Salaalaealised ; kolkalapsed ; longin mööda lumiseid tänavaid ; punkrock dekadents ; "Igast kirjaneitsist..." ; "mina olengi see saikochick..."

Ultra-thin silicon oxide layers on crystalline silicon wafers: Comparison of advanced oxidation techniques with respect to chemically abrupt SiO{sub 2}/Si interfaces with low defect densities

Energy Technology Data Exchange (ETDEWEB)

Stegemann, Bert, E-mail: bert.stegemann@htw-berlin.de [HTW Berlin - University of Applied Sciences, 12459 Berlin (Germany); Gad, Karim M. [University of Freiburg, Department of Microsystems Engineering - IMTEK, 79110 Freiburg (Germany); Balamou, Patrice [HTW Berlin - University of Applied Sciences, 12459 Berlin (Germany); Helmholtz Center Berlin for Materials and Energy (HZB), 12489 Berlin (Germany); Sixtensson, Daniel [Helmholtz Center Berlin for Materials and Energy (HZB), 12489 Berlin (Germany); Vössing, Daniel; Kasemann, Martin [University of Freiburg, Department of Microsystems Engineering - IMTEK, 79110 Freiburg (Germany); Angermann, Heike [Helmholtz Center Berlin for Materials and Energy (HZB), 12489 Berlin (Germany)

2017-02-15

Highlights: • Fabrication of ultrathin SiO{sub 2} tunnel layers on c-Si. • Correlation of electronic and chemical SiO{sub 2}/Si interface properties revealed by XPS/SPV. • Chemically abrupt SiO{sub 2}/Si interfaces generate less interface defect states considerable. - Abstract: Six advanced oxidation techniques were analyzed, evaluated and compared with respect to the preparation of high-quality ultra-thin oxide layers on crystalline silicon. The resulting electronic and chemical SiO{sub 2}/Si interface properties were determined by a combined x-ray photoemission (XPS) and surface photovoltage (SPV) investigation. Depending on the oxidation technique, chemically abrupt SiO{sub 2}/Si interfaces with low densities of interface states were fabricated on c-Si either at low temperatures, at short times, or in wet-chemical environment, resulting in each case in excellent interface passivation. Moreover, the beneficial effect of a subsequent forming gas annealing (FGA) step for the passivation of the SiO{sub 2}/Si interface of ultra-thin oxide layers has been proven. Chemically abrupt SiO{sub 2}/Si interfaces have been shown to generate less interface defect states.

High sensitive quasi freestanding epitaxial graphene gas sensor on 6H-SiC

NARCIS (Netherlands)

Iezhokin, I.; Offermans, P.; Brongersma, S.H.; Giesbers, A.J.M.; Flipse, C.F.J.

2013-01-01

We have measured the electrical response to NO2, N2, NH3, and CO for epitaxial graphene and quasi freestanding epitaxial graphene on 6H-SiC substrates. Quasi freestanding epitaxial graphene shows a 6 fold increase in NO2 sensitivity compared to epitaxial graphene. Both samples show a sensitivity

Low Z elements (Mg, Al, and Si) K-edge X-ray absorption spectroscopy in minerals and disordered systems

International Nuclear Information System (INIS)

Ildefonse, P.; Calas, G.; Flank, A.M.; Lagarde, P.

1995-01-01

Soft X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy have been performed at the Mg-, Al- and Si-K edges in order to establish the ability of this spectroscopy to derive structural information in disordered solids such as glasses and gels. Mg- and Al-K XANES are good structural probes to determine the coordination state of these elements in important minerals, glasses and gels. In a CaO-MgO-2SiO 2 glass Mg XANES spectra differ from that found in the crystalline equivalent, with a significant shift of the edge maxima to lower energy, consistent with a CN lower than 6. Mg-EXAFS on the same sample are in agreement and indicate the presence of 5-coordinated Mg with Mg-O distances of 2.01 A. In aluminosilicate gels, Al-K XANES has been used to investigate the [4]Al/Al total ratios. These ratios increase as the Al/Si ratios decrease. Aluminosilicate and ferric-silicate gels were studied by using Si-K edge XANES. XANES spectra differ significantly among the samples studied. Aluminosilicate gels with Al/Si=1 present a different Al and Si local environment from that known in clay minerals with the same Al/Si ratio. The gel-to-mineral transformation thus implies a dissolution-recrystallization mechanism. On the contrary, ferric-silicate gel presents a Si local environment close to that found in nontronite which may be formed by a long range ordering of the initial gels. (orig.)

Anion-Dependent Exocyclic Mercury(II) Coordination Polymers of Bis-dithiamacrocycle

Energy Technology Data Exchange (ETDEWEB)

Siewe, Arlette Deukam; Kim, Seul Gi; Choi, Kyu Seong [Kyungnam University, Changwon (Korea, Republic of); Lee, Shim Sung [Gyeongsang National University, Jinju (Korea, Republic of)

2014-09-15

Synthesis and structural characterization of mercury(II) halides and perchlorate complexes of bis-OS{sub 2}-Synthesis and structural characterization of mercury(II) halides and perchlorate complexes of bis-OS{sub 2}- macrocycle (L) are reported. L reacts with mercury(II) chloride and bromide to yield an isostructural 2D coordination polymers with type [Hg(L)X{sub 2}]n (1: X = Cl and 2: X = Br). In 1, each Hg atom which lies outside the cavity is six-coordinate with a distorted octahedral geometry, being bound to four adjacent ligands via monodentate Hg-S bonds and two remaining sites are occupied by two terminal chlorido ligands to form a fishnet-like 2D structure. When reacting with mercury(II) iodide, L afforded a 1D coordination polymer [Hg{sub 2}(L)I{sub 4}]·CHCl{sub 3}n in which each exocyclic Hg atom is four-coordinate, being bound to two sulfur donors from different ligands doubly bridging the ligand molecules in a head-to-tail mode. The coordination sphere in 3 is completed by two iodo terminal ligands, adopting a distorted tetrahedral geometry. On reacting with mercury(II) perchlorate, L forms solvent-coordinated 1D coordination polymer ([Hg{sub 2}(L)(DMF){sub 6}](ClO{sub 4}){sub 4}·2DMF)n instead of the anion-coordination. In 4, the Hg atom is five-coordinate, being bound to two sulfur donors from two different ligands doubly bridging the ligand molecules in a side-by-side mode to form a ribbon-like 1D structure.. The three remaining coordination sites in 4 are completed by three DMF molecules in a monodentate manner. Consequently, the different structures and connectivity patterns for the observed exocyclic coordination polymers depending on the anions used are influenced not only by the coordination ability of the anions but also by anion sizes macrocycle (L) are reported. L reacts with mercury(II) chloride and bromide to yield an isostructural 2D coordination polymers with type [Hg(L)X{sub 2}]n (1: X = Cl and 2: X = Br). In 1, each Hg atom which lies

Microscopic parameters of heterostructures containing nanoclusters and thin layers of Ge in Si matrix

CERN Document Server

Erenburg, S B; Stepina, N P; Nikiforov, A I; Nenashev, A V; Mazalov, L N

2001-01-01

GeK XAFS measurements have been performed using the total electron yield detection mode for pseudomorphous Ge films deposited on Si(0 0 1) substrate via molecular beam epitaxy at 300 deg. C. The samples have been produced by thrice repeating the growing procedure separated by deposition of blocking Si layers at 500 deg. C. The local microstructure parameters (interatomic distances, Ge coordination numbers) are linked to nanostructure morphology and adequate models are suggested and discussed. It was established that pseudomorphous 4-monolayer Ge films contain 50% of Si atoms on the average. Pyramid-like, pure Ge islands formed in the Stranski-Krastanov growth are characterized by the interatomic Ge-Ge distances of 2.41 A (by 0.04 A less than in bulk Ge) and the Ge-Si distances of 2.37 A. It was revealed that the pure Ge nanoclusters are covered by a 1-2-monolayer film with admixture on the average of a 50% Si atom impurity from blocking Si layers.

Atomic and electronic structures of a-SiC:H from tight-binding molecular dynamics

CERN Document Server

Ivashchenko, V I; Shevchenko, V I; Ivashchenko, L A; Rusakov, G V

2003-01-01

The atomic and electronic properties of amorphous unhydrogenated (a-SiC) and hydrogenated (a-SiC:H) silicon carbides are studied using an sp sup 3 s sup * tight-binding force model with molecular dynamics simulations. The parameters of a repulsive pairwise potential are determined from ab initio pseudopotential calculations. Both carbides are generated from dilute vapours condensed from high temperature, with post-annealing at low temperature for a-SiC:H. A plausible model for the inter-atomic correlations and electronic states in a-SiC:H is suggested. According to this model, the formation of the amorphous network is weakly sensitive to the presence of hydrogen. Hydrogen passivates effectively only the weak bonds of threefold-coordinated atoms. Chemical ordering is very much affected by the cooling rate and the structure of the high-temperature vapour. The as-computed characteristics are in rather good agreement with the results for a-SiC and a-Si:H from ab initio calculations.

Ordering at Si(111)/o-Si and Si(111)/SiO2 Interfaces

DEFF Research Database (Denmark)

Robinson, I. K.; Waskiewicz, W. K.; Tung, R. T.

1986-01-01

X-ray diffraction has been used to measure the intensity profile of the two-dimensional rods of scattering from a single interface buried inside a bulk material. In both Si(111)/a-Si and Si(111)/SiO2 examples there are features in the perpendicular-momentum-transfer dependence which are not expec...... are not expected from an ideal sharp interface. The diffraction profiles are explained by models with partially ordered layers extending into the amorphous region. In the Si(111)/a-Si case there is clear evidence of stacking faults which are attributed to residual 7×7 reconstruction....

Glass ionomer application for vocal fold augmentation: Histopathological analysis on rabbit vocal fold.

Science.gov (United States)

Demirci, Sule; Tuzuner, Arzu; Callıoglu, Elif Ersoy; Yumusak, Nihat; Arslan, Necmi; Baltacı, Bülent

2016-04-01

The aim of this study was to investigate the use of glass ionomer cement (GIC) as an injection material for vocal fold augmentation and to evaluate the biocompatibility of the material. Ten adult New Zealand rabbits were used. Under general anesthesia, 0.1-cc GIC was injected to one vocal fold and the augmentation of vocal fold was observed. No injection was applied to the opposite side, which was accepted as the control group. The animals were sacrificed after 3 months and the laryngeal specimens were histopathologically evaluated. The injected and the noninjected control vocal folds were analyzed. The GIC particles were observed in histological sections on the injected side, and no foreign body giant cells, granulomatous inflammation, necrosis, or marked chronic inflammation were detected around the glass ionomer particles. Mild inflammatory reactions were noticed in only two specimens. The noninjected sides of vocal folds were completely normal. The findings of this study suggest that GIC is biocompatible and may be further investigated as an alternative injection material for augmentation of the vocal fold. Further studies are required to examine the viscoelastic properties of GIC and the long-term effects in experimental studies. NA. © 2015 The American Laryngological, Rhinological and Otological Society, Inc.

PREFACE Protein folding: lessons learned and new frontiers Protein folding: lessons learned and new frontiers

Science.gov (United States)

Pappu, Rohit V.; Nussinov, Ruth

2009-03-01

In appropriate physiological milieux proteins spontaneously fold into their functional three-dimensional structures. The amino acid sequences of functional proteins contain all the information necessary to specify the folds. This remarkable observation has spawned research aimed at answering two major questions. (1) Of all the conceivable structures that a protein can adopt, why is the ensemble of native-like structures the most favorable? (2) What are the paths by which proteins manage to robustly and reproducibly fold into their native structures? Anfinsen's thermodynamic hypothesis has guided the pursuit of answers to the first question whereas Levinthal's paradox has influenced the development of models for protein folding dynamics. Decades of work have led to significant advances in the folding problem. Mean-field models have been developed to capture our current, coarse grain understanding of the driving forces for protein folding. These models are being used to predict three-dimensional protein structures from sequence and stability profiles as a function of thermodynamic and chemical perturbations. Impressive strides have also been made in the field of protein design, also known as the inverse folding problem, thereby testing our understanding of the determinants of the fold specificities of different sequences. Early work on protein folding pathways focused on the specific sequence of events that could lead to a simplification of the search process. However, unifying principles proved to be elusive. Proteins that show reversible two-state folding-unfolding transitions turned out to be a gift of natural selection. Focusing on these simple systems helped researchers to uncover general principles regarding the origins of cooperativity in protein folding thermodynamics and kinetics. On the theoretical front, concepts borrowed from polymer physics and the physics of spin glasses led to the development of a framework based on energy landscape theories. These

Fluorescence x-ray absorption fine structure studies of Fe-Ni-S and Fe-Ni-Si melts to 1600 K

Science.gov (United States)

Manghnani, M. H.; Hong, X.; Balogh, J.; Amulele, G.; Sekar, M.; Newville, M.

2008-04-01

We report NiK -edge fluorescence x-ray absorption fine structure spectra (XAFS) for Fe0.75Ni0.05S0.20 and Fe0.75Ni0.05Si0.20 ternary alloys from room temperature up to 1600 K. A high-temperature furnace designed for these studies incorporates two x-ray transparent windows and enables both a vertical orientation of the molten sample and a wide opening angle, so that XAFS can be measured in the fluorescence mode with a detector at 90° with respect to the incident x-ray beam. An analysis of the Ni XAFS data for these two alloys indicates different local structural environments for Ni in Fe0.75Ni0.05S0.20 and Fe0.75Ni0.05Si0.20 melts, with more Ni-Si coordination than Ni-S coordination persisting from room temperature through melting. These results suggest that light elements such as S and Si may impact the structural and chemical properties of Fe-Ni alloys with a composition similar to the earth’s core.

X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

International Nuclear Information System (INIS)

Shcherba, I.D.; Kotur, B.Ya.

1990-01-01

In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

Why are SiX5(-) and GeX5(-) (X = F, Cl) stable but not CF5(-) and CCl5(-)?

Science.gov (United States)

Marchaj, Marzena; Freza, Sylwia; Skurski, Piotr

2012-03-01

The possible existence of the CF(5)(-), CCl(5)(-), SiF(5)(-), SiCl(5)(-), GeF(5)(-), and GeCl(5)(-) anions has been investigated using ab initio methods. The species containing Si and Ge as central atoms were found to adopt the D(3h)-symmetry trigonal bipyramidal equilibrium structures whose thermodynamic stabilities were confirmed by examining the most probable fragmentation channels. The ab initio re-examination of the electronic stabilities of the SiF(5)(-), SiCl(5)(-), GeF(5)(-), and GeCl(5)(-) anions [using the OVGF(full) method with the 6-311+G(3df) basis set] led to the very large vertical electron detachment (VDE) energies of 9.316 eV (SiF(5)(-)) and 9.742 eV (GeF(5)(-)), whereas smaller VDEs of 6.196 and 6.452 eV were predicted for the SiCl(5)(-) and GeCl(5)(-) species, respectively. By contrast, the high-symmetry and structurally compact anionic CF(5)(-) and CCl(5)(-) systems cannot exist due to the strongly repulsive potential predicted for the X(-) (F(-) or Cl(-)) approaching the CX(4) (CF(4) or CCl(4)). The formation of weakly bound CX(4)···X(-) (CF(4)···F(-) and CCl(4)···Cl(-)) anionic complexes (consisting of pseudotetrahedral neutral CX(4) with the weakly tethered X(-)) might be expected at low temperatures (approaching 0 K), whereas neither CX(5)(-) (CF(5)(-), CCl(5)(-)) systems nor CX(4)···X(-) (CF(4)···F(-) and CCl(4)···Cl(-)) complexes can exist in the elevated temperatures (above 0K) due to their susceptibility to the fragmentation (leading to the X(-) loss). © 2012 American Chemical Society

Semi-polar GaN heteroepitaxy an high index Si-surfaces

Energy Technology Data Exchange (ETDEWEB)

Ravash, Roghaiyeh; Blaesing, Juergen; Hempel, Thomas; Dadgar, Armin; Christen, Juergen; Krost, Alois [Otto-von-Guericke-University Magdeburg, FNW/IEP/AHE, Magdeburg (Germany)

2011-07-01

Due to the lack of GaN homosubstrates, the growth of GaN-based devices is usually performed on heterosubstrates as sapphire or SiC. These substrates are either insulating or expensive, and both unavailable in large diameters. Meanwhile, silicon can meet the requirements for a low price and thermally well conducting substrate and also enabling the integration of optoelectronic devices with Si-based electronics. Up to now, the good matching of hexagonal GaN with the three-fold symmetry of Si(111) greatly promotes the c-axis orientated growth of GaN on this surface plane. A large spontaneous and piezoelectric polarization oriented along the c-axis exists in such hexagonal structure leading to low efficiencies for thick quantum wells. The attention to the growth of non-polar or semi-polar GaN based epitaxial structures has been increased recently because of reducing the effect of the polarization fields in these growth directions. Therefore we studied semi-polar GaN epilayers grown by metalorganic vapor phase epitaxy on silicon substrates with different orientations from Si(211) to Si(711). We observed that AlN seeding layer growth time play a significant role in obtaining the different GaN texture.

A coordination polymer based magnetic adsorbent material for hemoglobin isolation from human whole blood, highly selective and recoverable

Science.gov (United States)

Zhang, Xiaoxing; Tan, Jipeng; Xu, Xinxin; Shi, Fanian; Li, Guanglu; Yang, Yiqiao

2017-09-01

A composite material has been obtained successfully through the loading of nanoscale coordination polymer on magnetic Fe3O4@SiO2 core-shell particle. In this composite material, coordination polymer nanoparticles distribute uniformly on Fe3O4@SiO2 and these two components are "tied" together firmly with chemical bonds. Adsorption experiments suggest this composite material exhibits very excellent selectivity to hemoglobin. But under the same condition, its adsorption to bovine serum albumin can almost be ignored. This selectivity can be attributed to the existence of hydrophobic interactions between coordination polymer nanoparticle and hemoglobin. For composite material, the hemoglobin adsorption process follows Langmuir model perfectly with high speed. The adsorbed hemoglobin can be eluted easily by sodium dodecyl sulfate stripping reagent with structure and biological activity of hemoglobin keeps well. The composite material was also employed to separate hemoglobin from human whole blood, which receives a very satisfactory result. Furthermore, magnetic measurement reveals ferromagnetic character of this composite material with magnetization saturation 3.56 emu g-1 and this guarantees its excellent magnetic separation performance from the treated solution.

Periodic folding of viscous sheets

Science.gov (United States)

Ribe, Neil M.

2003-09-01

The periodic folding of a sheet of viscous fluid falling upon a rigid surface is a common fluid mechanical instability that occurs in contexts ranging from food processing to geophysics. Asymptotic thin-layer equations for the combined stretching-bending deformation of a two-dimensional sheet are solved numerically to determine the folding frequency as a function of the sheet’s initial thickness, the pouring speed, the height of fall, and the fluid properties. As the buoyancy increases, the system bifurcates from “forced” folding driven kinematically by fluid extrusion to “free” folding in which viscous resistance to bending is balanced by buoyancy. The systematics of the numerically predicted folding frequency are in good agreement with laboratory experiments.

The architecture of metal coordination groups in proteins.

Science.gov (United States)

Harding, Marjorie M

2004-05-01

A set of tables is presented and a survey given of the architecture of metal coordination groups in a representative set of protein structures from the Protein Data Bank [Bernstein et al. (1977), J. Mol. Biol. 112, 535-542; Berman et al. (2000), Nucleic Acids Res. 28, 235-242]. The structures have been determined to a resolution of 2.5 A or better; the metals considered are Ca, Mg, Mn, Fe, Cu, Zn, Na and K, with particular emphasis on Ca and Zn and the exclusion of haem groups and Fe/S clusters; the proteins are a representative set in which none has more than 30% sequence identity with any other. In them the metal is coordinated by several donor groups from different amino-acid residues in the protein chain and often also by water or other small molecules. The tables, for approximately 600 metal coordination groups, include information on the conformations of the protein chain in the region around the metal and reliability indicators. They illustrate the wide variety of coordination numbers, chelate-loop sizes and other properties and the different characteristics of different metals. They show that glycine has a particular significance in the position adjacent to a donor residue, especially in Ca coordination groups. They also show that metal coordination does not appear to lead to significant distortions of the torsion angles phi, psi from their normally allowed values. Very few metal coordination groups occur more than once in the representative set and when they do they are usually related in fold and function; they have similar but not necessarily identical conformations. However, individual chelate loops, for example Zn(-C-X-X'-C-), in which both cysteines are coordinated to Zn through S, and X and X' are any amino acids, are repeated frequently in many different and unrelated proteins. Not all chelate loops with the same composition have the same conformation, but for smaller loops there are usually one or two strongly preferred and well defined

EPR study of the coordination sphere of Mo5+ ions in UV-irradiated silica-supported molybdenum catalysts

International Nuclear Information System (INIS)

Canose, B.; Gonzalez-Elipe, A.R.; Che, M.

1991-01-01

The determination of the number of coordination vacancies existing at transition metal cations at the surface of bulk or supported oxides is of greater interest in relation to the adsorption and catalytic properties of such systems. In the case of paramagnetic cations, the authors have developed a method consisting of the recording of their first and third derivative EPR spectra after adsorption of 13 CO, ( 13 C, I = 1/2). In this way, the 13 C superhyperfine structure which is normally observed permits the determination of the number of CO molecules bonded to the metal center. In a recent EPR work published in this journal, Seyedmonir and Howe have reported the formation of a CO adduct of the tetrahedral Mo 5+ -OH - species formed by UV-irradiation at 20 K of a MoO 3 /SiO 2 catalyst in the presence of H 2 . In that work, although the structure of such an adduct could not be derived unambiguously on the basis of the g tensor values, the coordination of the Mo 5+ ion by two CO molecules was suggested. This would be in agreement with the previous results with thermally reduced V 2 O 5 /SiO 2 and MoO 3 /SiO 2 catalysts, where the coordination of, respectively, V 4+ and Mo 5+ tetrahedral centers by two CO molecules was proven by means of the combined use of 13 CO and third derivative EPR spectra. In the present work, using this approach, they have studied the structure of these Mo 5+ ions photochemically generated on MoO 3 /SiO 2 catalysts and concluded that only one CO molecule is bonded to the paramagnetic ion

Classical and quantum fold catastrophe in the presence of axial symmetry

Science.gov (United States)

Dhont, G.; Zhilinskií, B. I.

2008-11-01

We introduce a family of Hamiltonians with two degrees of freedom, axial symmetry and complete integrability. The potential function depends on coordinates and one control parameter. A fold catastrophe typically occurs in such a family of potentials and its consequences on the global dynamics are investigated through the energy-momentum map which defines the singular fibration of the four-dimensional phase space. The two inequivalent local canonical forms of the catastrophe are presented: the first case corresponds to the appearance of a second sheet in the image of the energy-momentum map while the second case is associated with the breaking of an already existing second sheet. A special effort is placed on the description of the singularities. In particular, the existence of cuspidal tori is related to a second-order contact point between the energy level set and the reduced phase space. The quantum mechanical aspects of the changes induced by the fold catastrophe are investigated with the quantum eigenstates computed for an octic potential and are interpreted through the quantum-classical correspondence. We note that the singularity exposed in this paper is not an obstruction to a global definition of action-angle variables.

Interpenetrated Binary Supramolecular Nanofibers for Sensitive Fluorescence Detection of Six Classes of Explosives.

Science.gov (United States)

Xiong, Wei; Zhu, Qijian; Gong, Yanjun; Wang, Chen; Che, Yanke; Zhao, Jincai

2018-04-03

In this work, we develop a sequential self-assembly approach to fabricate interpenetrated binary supramolecular nanofibers consisting of carbazole oligomer 1-cobalt(II) (1-Co 2+ ) coordination nanofibers and oligomer 2 nanofibers for the sensitive detection of six classes of explosives. When exposed to peroxide explosives (e.g., H 2 O 2 ), Co 2+ in 1-Co 2+ coordination nanofibers can be reduced to Co + that can transfer an electron to the excited 2 nanofibers and thereby quench their fluorescence. On the other hand, when exposed to the other five classes of explosives, the excited 2 nanofibers can transfer an electron to explosives to quench their fluorescence. On the basis of the distinct fluorescence quenching mechanisms, six classes of explosives can be sensitively detected. Herein, we provide a new strategy to design broad-band fluorescence sensors for a rich identification of threats.

Ge 3P 6Si 2O 25: A cage structure closely related to the intersecting tunnel structure KMo 3P 6Si 2O 25

Science.gov (United States)

Leclaire, A.; Raveau, B.

1988-08-01

A germanosilicophosphate Ge 3P 6Si 2O 25 has been isolated. Its structure was solved from a single-crystal study in the space group P overline31c . Its cell parameters are a = b = 7.994(1) Å, c = 16.513(2) Å, Z = 2. The refinement by full-matrix least-squares calculations leads to R = 0.043 with 686 independent reflections. The structure of this oxide is built up from corner-sharing PO 4 and SiO 4 tetrahedra and GeO 6 octahedra. One observes a feature common to several silicophosphates: the presence of the structural unit P 6Si 2O 25 built up from a disilicate group sharing its corners with six PO 4 tetrahedra. The structural relationships between this oxide and the silicophosphates AMo 3P 6Si 2O 25 and Si 3P 6Si 2O 25 (or Ge 3P 6 Ge 2O 25) are described.

The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)

International Nuclear Information System (INIS)

Zhang, Shiyan; Mei, Dajiang; Du, Xin; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong; Xu, Jingli

2016-01-01

Ag 1−x Ga 1−x Si x Se 2 solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe 4 has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe 4 is composed of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ga) tetrahedra. AgGaSiSe 4 is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe 4 and the value is 0.33 eV larger than that of Ag 3 Ga 3 SiSe 8 (2.30 eV). - Graphical abstract: The Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe 4 was synthesized for the first time. AgGaSiSe 4 crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe 4 . • AgGaSiSe 4 crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe 4 is enlarged compared with Ag 3 Ga 3 SiSe 8 .

Asymmetric hindwing foldings in rove beetles.

Science.gov (United States)

Saito, Kazuya; Yamamoto, Shuhei; Maruyama, Munetoshi; Okabe, Yoji

2014-11-18

Foldable wings of insects are the ultimate deployable structures and have attracted the interest of aerospace engineering scientists as well as entomologists. Rove beetles are known to fold their wings in the most sophisticated ways that have right-left asymmetric patterns. However, the specific folding process and the reason for this asymmetry remain unclear. This study reveals how these asymmetric patterns emerge as a result of the folding process of rove beetles. A high-speed camera was used to reveal the details of the wing-folding movement. The results show that these characteristic asymmetrical patterns emerge as a result of simultaneous folding of overlapped wings. The revealed folding mechanisms can achieve not only highly compact wing storage but also immediate deployment. In addition, the right and left crease patterns are interchangeable, and thus each wing internalizes two crease patterns and can be folded in two different ways. This two-way folding gives freedom of choice for the folding direction to a rove beetle. The use of asymmetric patterns and the capability of two-way folding are unique features not found in artificial structures. These features have great potential to extend the design possibilities for all deployable structures, from space structures to articles of daily use.

Quantification of fold growth of frontal antiforms in the Zagros fold and thrust belt (Kurdistan, NE Iraq)

Science.gov (United States)

Bretis, Bernhard; Bartl, Nikolaus; Graseman, Bernhard; Lockhart, Duncan

2010-05-01

The Zagros fold and thrust belt is a seismically active orogen, where actual kinematic models based on GPS networks suggest a north-south shortening between Arabian and Eurasian in the order of 1.5-2.5 cm/yr. Most of this deformation is partitioned in south-southwest oriented folding and thrusting with northwest-southeast to north-south trending dextral strike slip faults. The Zagros fold and thrust belt is of great economic interest because it has been estimated that this area contains about 15% of the global recoverable hydrocarbons. Whereas the SE parts of the Zagros have been investigated by detailed geological studies, the NW extent being part of the Republic of Iraq have experienced considerably less attention. In this study we combine field work and remote sensing techniques in order to investigate the interaction of erosion and fold growth in the area NE of Erbil (Kurdistan, Iraq). In particular we focus on the interaction of the transient development of drainage patterns along growing antiforms, which directly reflects the kinematics of progressive fold growth. Detailed geomorphological studies of the Bana Bawi-, Permam- and Safeen fold trains show that these anticlines have not developed from subcylindrical embryonic folds but they have merged from different fold segments that joined laterally during fold amplification. This fold segments with length between 5 and 25 km have been detected by mapping ancient and modern river courses that initially cut the nose of growing folds and eventually got defeated leaving behind a wind gap. Fold segments, propagating in different directions force rivers to join resulting in steep gorges, which dissect the merging fold noses. Along rapidly lateral growing folds (e.g. at the SE end of the Bana Bawi Anticline) we observed "curved wind gaps", a new type of abandoned river course, where form of the wind gap mimics a formed nose of a growing antiform. The inherited curved segments of uplifted curved river courses strongly

Structural analysis of molten Na2O-NaF-SiO2 system by Raman spectroscopy and molecular dynamics simulation

International Nuclear Information System (INIS)

Sasaki, Yasushi; Urata, Hidehiro; Ishii, Kuniyoshi

2003-01-01

To determine the effect of F ions on the structure of the molten alkali silicate systems, quenched Na 2 O-SiO 2 -NaF systems were investigated by Raman spectroscopy and molecular dynamics simulation. The systematic increase of 1100cm -1 band intensity in the Raman spectra of the silicate melts accompanying the replacement of O by F provides the evidence for concomitant polymerization of melts. From the molecular dynamics simulation, it was confirmed that most of substituted F was mainly coordinated to Na + ions but not Si 4+ ions at least up to 12.5 mol% of F ion content. A small amount of F was found to be coordinated to Si as a non-bridging ion from the molecular dynamics simulation, although there was no recognizable evidence from Raman Spectroscopy. These results were consistent with the mechanism in which F associated with otherwise network-modifying Na rather than with network-forming Si. Since F was associated to Na + ions, the replace of O ion by two F ions promote the polymerization of silicate melts. (author)

Study of Si/Si, Si/SiO2, and metal-oxide-semiconductor (MOS) using positrons

International Nuclear Information System (INIS)

Leung, To Chi.

1991-01-01

A variable-energy positron beam is used to study Si/Si, Si/SiO 2 , and metal-oxide-semiconductor (MOS) structures. The capability of depth resolution and the remarkable sensitivity to defects have made the positron annihilation technique a unique tool in detecting open-volume defects in the newly innovated low temperature (300C) molecular-beam-epitaxy (MBE) Si/Si. These two features of the positron beam have further shown its potential role in the study of the Si/SiO 2 . Distinct annihilation characteristics has been observed at the interface and has been studied as a function of the sample growth conditions, annealing (in vacuum), and hydrogen exposure. The MOS structure provides an effective way to study the electrical properties of the Si/SiO 2 interface as a function of applied bias voltage. The annihilation characteristics show a large change as the device condition is changed from accumulation to inversion. The effect of forming gas (FG) anneal is studied using positron annihilation and the result is compared with capacitance-voltage (C-V) measurements. The reduction in the number of interface states is found correlated with the changes in the positron spectra. The present study shows the importance of the positron annihilation technique as a non-contact, non-destructive, and depth-sensitive characterization tool to study the Si-related systems, in particular, the Si/SiO 2 interface which is of crucial importance in semiconductor technology, and fundamental understanding of the defects responsible for degradation of the electrical properties

Low Z elements (Mg, Al, and Si) K-edge X-ray absorption spectroscopy in minerals and disordered systems

Science.gov (United States)

Ildefonse, Ph.; Calas, G.; Flank, A. M.; Lagarde, P.

1995-05-01

Soft X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy have been performed at the Mg-, Al- and Si-K edges in order to establish the ability of this spectroscopy to derive structural information in disordered solids such as glasses and gels. Mg- and Al-K XANES are good structural probes to determine the coordination state of these elements in important minerals, glasses and gels. In a CaOsbnd MgOsbnd 2SiO2 glass Mg XANES spectra differ from that found in the crystalline equivalent, with a significant shift of the edge maxima to lower energy, consistent with a CN lower than 6. Mg-EXAFS on the same sample are in agreement and indicate the presence of 5-coordinated Mg with Mgsbnd O distances of 2.01Å. In aluminosilicate gels, Alsbnd K XANES has been used to investigate the [4]Al/Altotal ratios. These ratios increase as the Al/Si ratios decrease. Aluminosilicate and ferric-silicate gels were studied by using Sisbnd K edge XANES. XANES spectra differ significantly among the samples studied. Aluminosilicate gels with Al/Si= 1 present a different Al and Si local environment from that known in clay minerals with the same Al/Si ratio. The gel-to-mineral transformation thus implies a dissolution-recrystallization mechanism. On the contrary, ferric-silicate gel presents a Si local environment close to that found in nontronite which may be formed by a long range ordering of the initial gels.

Photoluminescence of Er-doped Si-SiO2 and Al-Si-SiO2 sputtered thin films

International Nuclear Information System (INIS)

Rozo, C.; Fonseca, L.F.; Jaque, D.; Sole, J.Garcia

2008-01-01

Er-doped Si-SiO 2 and Al-Si-SiO 2 films have been deposited by rf-sputtering being annealed afterwards. Annealing behavior of the Er 3+ : 4 I 13/2 → 4 I 15/2 emission of Er-doped Si-SiO 2 yields a maximum intensity for annealing at 700-800 deg. C. 4 I 13/2 → 4 I 15/2 peak emission for Er-doped Al-Si-SiO 2 at 1525 nm is shifted from that for Er-doped Si-SiO 2 at 1530 nm and the bandwidth increases from 29 to 42 nm. 4 I 13/2 → 4 I 15/2 emission decays present a fast decaying component related to Er ions coupled to Si nanoparticles, defects, or other ions, and a slow decaying component related to isolated Er ions. Excitation wavelength dependence and excitation power dependence for the 4 I 13/2 → 4 I 15/2 emission correspond with energy transfer from Si nanoparticles. Populating of the 4 I 11/2 level in Er-doped Si-SiO 2 involves branching and energy transfer upconversion involving two or more Er ions. Addition of Al reduces the populating of this level to an energy transfer upconversion involving two ions

Steady-state structural fluctuation is a predictor of the necessity of pausing-mediated co-translational folding for small proteins.

Science.gov (United States)

Huang, Wenxi; Liu, Wanting; Jin, Jingjie; Xiao, Qilan; Lu, Ruibin; Chen, Wei; Xiong, Sheng; Zhang, Gong

2018-03-25

Translational pausing coordinates protein synthesis and co-translational folding. It is a common factor that facilitates the correct folding of large, multi-domain proteins. For small proteins, pausing sites rarely occurs in the gene body, and the 3'-end pausing sites are only essential for the folding of a fraction of proteins. The determinant of the necessity of the pausings remains obscure. In this study, we demonstrated that the steady-state structural fluctuation is a predictor of the necessity of pausing-mediated co-translational folding for small proteins. Validated by experiments with 5 model proteins, we found that the rigid protein structures do not, while the flexible structures do need 3'-end pausings to fold correctly. Therefore, rational optimization of translational pausing can improve soluble expression of small proteins with flexible structures, but not the rigid ones. The rigidity of the structure can be quantitatively estimated in silico using molecular dynamic simulation. Nevertheless, we also found that the translational pausing optimization increases the fitness of the expression host, and thus benefits the recombinant protein production, independent from the soluble expression. These results shed light on the structural basis of the translational pausing and provided a practical tool for industrial protein fermentation. Copyright © 2017. Published by Elsevier Inc.

Insights into workplace Return to Work Coordinator training: An Australian perspective.

Science.gov (United States)

Bohatko-Naismith, Joanna; Guest, Maya; Rivett, Darren A; James, Carole

2016-09-27

Following brief training, an Australian workplace Return to Work (RTW) Coordinator is expected to provide information to the injured worker, liaise with key stakeholders and maintain workplace policies and procedures in accordance with legislative requirements. The aim of this study was to provide insights into the experiences and perceptions of the Australian Workplace RTW Coordinator in relation to current training practices and to identify any existing inadequacies within the available training. Twenty-five workplace RTW Coordinators from five Australian states participated in six focus groups.Participants with a minimum of two years' experience as a workplace RTW Coordinator and involved with the development and implementation of workplace policies and procedures, were included in the study. Thematic analysis was performed to identity meaningful themes and patterns. The findings highlighted specific training requirements and additional support mechanisms recommended by current workplace RTW Coordinators. Four key themes clearly emerged: inadequate training; irrelevant content; the need for specialised trainers; and network support services. RTW Coordinators require effective training and support to ensure the appropriate and timely delivery of services to all stakeholders involved in the RTW process. The results of this study may inform future training practices for RTW Coordinators.

Dy3+-doped nano-glass ceramics comprising NaAlSiO4 and NaY9Si6O26 nanocrystals for white light generation

International Nuclear Information System (INIS)

Bagga, Ruchika; Achanta, Venu Gopal; Goel, Ashutosh; Ferreira, José M.F.; Singh, Narinder Pal; Singh, Davinder Paul; Falconieri, Mauro; Sharma, Gopi

2013-01-01

Highlights: ► Environment safe glass ceramics were fabricated via heat treatment. ► Optical and structural properties were studied before and after heat treatment. ► White light generation with single RE 3+ ion-doping was observed under UV excitation. ► Emission color temperature was between fluorescent tube and daylight values. - Abstract: The radiative emission properties of the Dy 3+ ions in oxyfluoride glasses and glass ceramics have been investigated for the generation of white light. The X-ray diffraction pattern of the glass ceramics reveals the presence of NaAlSiO 4 nanocrystals along with secondary phase of NaY 9 Si 6 O 26 in the glass matrix after a suitable thermal treatment of the pristine glasses. Intense white light emission has been observed when the samples are excited with 350 nm light. Yellow to blue emission intensity ratios and chromaticity color coordinates have been determined from the visible luminescence spectra. All color coordinates are found to lie in the white region of the chromaticity color diagram proposing the suitability of the present studied materials for color display devices.

Cation-induced folding of alginate-bearing bilayer gels: an unusual example of spontaneous folding along the long axis.

Science.gov (United States)

Athas, Jasmin C; Nguyen, Catherine P; Kummar, Shailaa; Raghavan, Srinivasa R

2018-04-04

The spontaneous folding of flat gel films into tubes is an interesting example of self-assembly. Typically, a rectangular film folds along its short axis when forming a tube; folding along the long axis has been seen only in rare instances when the film is constrained. Here, we report a case where the same free-swelling gel film folds along either its long or short axis depending on the concentration of a solute. Our gels are sandwiches (bilayers) of two layers: a passive layer of cross-linked N,N'-dimethylyacrylamide (DMAA) and an active layer of cross-linked DMAA that also contains chains of the biopolymer alginate. Multivalent cations like Ca2+ and Cu2+ induce these bilayer gels to fold into tubes. The folding occurs instantly when a flat film of the gel is introduced into a solution of these cations. The likely cause for folding is that the active layer stiffens and shrinks (because the alginate chains in it get cross-linked by the cations) whereas the passive layer is unaffected. The resulting mismatch in swelling degree between the two layers creates internal stresses that drive folding. Cations that are incapable of cross-linking alginate, such as Na+ and Mg2+, do not induce gel folding. Moreover, the striking aspect is the direction of folding. When the Ca2+ concentration is high (100 mM or higher), the gels fold along their long axis, whereas when the Ca2+ concentration is low (40 to 80 mM), the gels fold along their short axis. We hypothesize that the folding axis is dictated by the inhomogeneous nature of alginate-cation cross-linking, i.e., that the edges get cross-linked before the faces of the gel. At high Ca2+ concentration, the stiffer edges constrain the folding; in turn, the gel folds such that the longer edges are deformed less, which explains the folding along the long axis. At low Ca2+ concentration, the edges and the faces of the gel are more similar in their degree of cross-linking; therefore, the gel folds along its short axis. An analogy

Intracorneal blood removal six weeks after canaloplasty

Directory of Open Access Journals (Sweden)

Alberto Rossetti

2013-01-01

Full Text Available In a 71-year-old patient with bilateral open-angle glaucoma, intracorneal blood was found after a canaloplasty procedure in the right eye. Six weeks after surgery on ultrasound biomicroscopy examination, liquified blood and blood clots could be observed nasally in the deep corneal stroma close to the Descemet′s membrane. The intracorneal blood was washed out with balanced saline solution following deep corneal incision and lamellar dissection. Descemet′s membrane was reattached with air injection into the anterior chamber. Two months later, visual acuity improved to 20/50, intraocular pressure was 16 mm Hg without medication and confocal microscopy showed deep stromal folds and limited endothelial cell loss. Viscoelastic entering the cornea at Schwalbe′s line and reflux of blood from the collector channels to Schlemm′s canal can account for corneal hematoma. Even six weeks after canaloplasty, successful blood removal could be fulfilled without rupturing the Descemet′s membrane.

Interpretation of the Raman spectra of the glassy states of SixS1−x and SixSe1−x

International Nuclear Information System (INIS)

Devi, V. Radhika; Zabidi, Noriza Ahmad; Shrivastava, Keshav N.

2013-01-01

We use the density-functional theory to make models of Si x S y and Si x Se y for the values of x,y = 1–6. The vibrational frequencies are calculated for each model. The stable clusters are selected on the basis of positive vibrational frequencies. In the case of Si x S 1−x , the values of the vibrational frequencies calculated from the first principles for Si 2 S(triangular)cluster of atoms, 364.1 cm −1 and 380.8 cm −1 , agree with the experimentally measured values of 367 cm −1 and 381 cm −1 , indicating that Si 2 S clusters occur in the glassy state of SiS. The calculated values of the vibrational frequencies of SiSe 4 (pyramidal) which agree with the experimental Raman frequencies of glassy Si x Se 1−x are 114, 166 and 361 cm −1 . The calculated values for Si 2 Se 4 (bipyramidal) which agree with the experimental data of Si x Se 1−x are 166 and 464 cm −1 . In Si 4 Se (pyramidal) the values 246 and 304 cm −1 agree with the measured values. In Si 4 Se 2 (bipyramidal), the calculated values 162, 196 and 304 cm −1 agree with the measured values. The calculated values of 473 cm −1 for Si 6 Se 2 (bipyramidal) also agree with the experimentally measured values. We thus find that pyramidal structures are present in the amorphous Si x Se 1−x glassy state. - Highlights: • A first principles calculation is performed to calculate the vibrational frequencies. • The calculated frequencies of clusters agree with measured Raman values. • The structures, bond lengths and symmetries are determined. • The importance of Jahn–Teller effect in SiS and in SiSe is clearly seen. • The clusters of SiS and SiSe are found to stabilize in different symmetries

Good Undergraduate Dissertation Supervision: Perspectives of Supervisors and Dissertation Coordinators

Science.gov (United States)

Roberts, Lynne D.; Seaman, Kristen

2018-01-01

There is a paucity of research, training, and material available to support supervisors of undergraduate dissertation students. This article explores what "good" supervision might look like at this level. Interviews were conducted with eight new supervisors and six dissertation coordinators using a critical incident methodology. Thematic…

Spherical images and inextensible curved folding

Science.gov (United States)

Seffen, Keith A.

2018-02-01

In their study, Duncan and Duncan [Proc. R. Soc. London A 383, 191 (1982), 10.1098/rspa.1982.0126] calculate the shape of an inextensible surface folded in two about a general curve. They find the analytical relationships between pairs of generators linked across the fold curve, the shape of the original path, and the fold angle variation along it. They present two special cases of generator layouts for which the fold angle is uniform or the folded curve remains planar, for simplifying practical folding in sheet-metal processes. We verify their special cases by a graphical treatment according to a method of Gauss. We replace the fold curve by a piecewise linear path, which connects vertices of intersecting pairs of hinge lines. Inspired by the d-cone analysis by Farmer and Calladine [Int. J. Mech. Sci. 47, 509 (2005), 10.1016/j.ijmecsci.2005.02.013], we construct the spherical images for developable folding of successive vertices: the operating conditions of the special cases in Duncan and Duncan are then revealed straightforwardly by the geometric relationships between the images. Our approach may be used to synthesize folding patterns for novel deployable and shape-changing surfaces without need of complex calculation.

Compression of Fe-Si-H alloys

Science.gov (United States)

Tagawa, S.; Ohta, K.; Hirose, K.

2014-12-01

The light elements in the Earth's core have not been fully identified yet, but hydrogen is now collecting more attention in part because recent planet formation theory suggests that large amount of water should have been brought to the Earth during its formation (giant-impact stage). Nevertheless, the effect of hydrogen on the property of iron alloys is little known so far. The earlier experimental study by Hirao et al. [2004 GRL] examined the compression behavior of dhcp FeHx (x ≈ 1) and found that it becomes much stiffer than pure iron above 50 GPa, where magnetization disappears. Here we examined the solubility of hydrogen into iron-rich Fe-Si alloys and the compression behavior of dhcp Fe-Si-H alloy at room temperature. Fe+6.5wt.%Si or Fe+9wt.%Si foil was loaded into a diamond-anvil cell (DAC), and then liquid hydrogen was introduced at temperatures below 20 K. X-ray diffraction measurements at SPring-8 revealed the formation of a dhcp phase with or without thermal annealing by laser above 8.4 GPa. The concentration of hydrogen in such dhcp lattice was calculated following the formula reported by Fukai [1992]; y = 0.5 and 0.2 for Fe-6.5wt.%Si-H or Fe-9wt.%Si-H alloys, respectively when y is defined as Fe(1-x)SixHy. Unlike Fe-H alloy, hydrogen didn't fully occupy the octahedral sites even under hydrogen-saturated conditions in the case of Fe-Si-H system. Anomaly was observed in obtained pressure-volume curve around 44 Å3 of unit-cell volume for both Fe-6.5wt.%Si-H and Fe-9wt.%Si-H alloys, which may be related to the spin transition in the dhcp phase. They became slightly stiffer at higher pressures, but their compressibility was still similar to that of pure iron.

The structure of MgO-SiO2 glasses at elevated pressure.

Science.gov (United States)

Wilding, Martin; Guthrie, Malcolm; Kohara, Shinji; Bull, Craig L; Akola, Jaakko; Tucker, Matt G

2012-06-06

The magnesium silicate system is an important geophysical analogue and neutron diffraction data from glasses formed in this system may also provide an initial framework for understanding the structure-dependent properties of related liquids that are important during planetary formation. Neutron diffraction data collected in situ for a single composition (38 mol% SiO(2)) magnesium silicate glass sample shows local changes in structure as pressure is increased from ambient conditions to 8.6 GPa at ambient temperature. A method for obtaining the fully corrected, total structure factor, S(Q), has been developed that allows accurate structural characterization as this weakly scattering glass sample is compressed. The measured S(Q) data indicate changes in chemical ordering with pressure and the real-space transforms show an increase in Mg-O coordination number and a distortion of the local environment around magnesium ions. We have used reverse Monte Carlo methods to compare the high pressure and ambient pressure structures and also compare the high pressure form with a more silica-poor glass (Mg(2)SiO(4)) that represents the approach to a more dense, void-free and topologically ordered structure. The Mg-O coordination number increases with pressure and we also find that the degree of continuous connectivity of Si-O bonds increases via a collapse of interstices.

Structural and functional properties of designed globins

Indian Academy of Sciences (India)

Administrator

Such artificial heme proteins provide simplified models of. *For correspondence ... sequence folds into a monomeric, compact, highly helical and globular form with an ... equilibrium between the five- and six-coordinated states. The ferrous ...

Thermal transport in phononic crystals: The role of zone folding effect

Science.gov (United States)

Dechaumphai, Edward; Chen, Renkun

2012-04-01

Recent experiments [Yu et al., Nature Nanotech 5, 718 (2010); Tang et al., Nano Lett. 10, 4279 (2010); Hopkins etal., Nano Lett. 11, 107(2011)] on silicon based nanoscale phononic crystals demonstrated substantially reduced thermal conductivity compared to bulk Si, which cannot be explained by incoherent phonon boundary scattering within the Boltzmann Transport Equation (BTE). In this paper, partial coherent treatment of phonons, where phonons are regarded as either wave or particles depending on their frequencies, was considered. Phonons with mean free path smaller than the characteristic size of phononic crystals are treated as particles and the transport in this regime is modeled by BTE with phonon boundary scattering taken into account. On the other hand, phonons with mean free path longer than the characteristic size are treated as waves. In this regime, phonon dispersion relations are computed using the Finite Difference Time Domain (FDTD) method and are found to be modified due to the zone folding effect. The new phonon spectra are then used to compute phonon group velocity and density of states for thermal conductivity modeling. Our partial coherent model agrees well with the recent experimental results on in-plane thermal conductivity of phononic crystals. Our study highlights the importance of zone folding effect on thermal transport in phononic crystals.

Structure of conkunitzin-S1, a neurotoxin and Kunitz-fold disulfide variant from cone snail

International Nuclear Information System (INIS)

Dy, Catherine Y.; Buczek, Pawel; Imperial, Julita S.; Bulaj, Grzegorz; Horvath, Martin P.

2006-01-01

Most Kunitz proteins like BPTI and α-dendrotoxin are stabilized by three disulfide bonds. The crystal structure shows how subtle repacking of non-covalent interactions may compensate for disulfide bond loss in a naturally occurring two-disulfide variant, conkunitzin-S1, the first discovered member of a new conotoxin family. Cone snails (Conus) are predatory marine mollusks that immobilize prey with venom containing 50–200 neurotoxic polypeptides. Most of these polypeptides are small disulfide-rich conotoxins that can be classified into families according to their respective ion-channel targets and patterns of cysteine–cysteine disulfides. Conkunitzin-S1, a potassium-channel pore-blocking toxin isolated from C. striatus venom, is a member of a newly defined conotoxin family with sequence homology to Kunitz-fold proteins such as α-dendrotoxin and bovine pancreatic trypsin inhibitor (BPTI). While conkunitzin-S1 and α-dendrotoxin are 42% identical in amino-acid sequence, conkunitzin-S1 has only four of the six cysteines normally found in Kunitz proteins. Here, the crystal structure of conkunitzin-S1 is reported. Conkunitzin-S1 adopts the canonical 3 10 –β–β–α Kunitz fold complete with additional distinguishing structural features including two completely buried water molecules. The crystal structure, although completely consistent with previously reported NMR distance restraints, provides a greater degree of precision for atomic coordinates, especially for S atoms and buried solvent molecules. The region normally cross-linked by cysteines II and IV in other Kunitz proteins retains a network of hydrogen bonds and van der Waals interactions comparable to those found in α-dendrotoxin and BPTI. In conkunitzin-S1, glycine occupies the sequence position normally reserved for cysteine II and the special steric properties of glycine allow additional van der Waals contacts with the glutamine residue substituting for cysteine IV. Evolution has thus defrayed the

Two interpenetrating Cu{sup II}/Ni{sup II}-coordinated polymers based on an unsymmetrical bifunctional N/O-tectonic: Syntheses, structures and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Liu, Yong-Liang [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Comprehensive Utilization of Tailings Resources, Shang Luo University, Shang Luo 726000 (China); Wu, Ya-Pan [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Li, Dong-Sheng, E-mail: lidongsheng1@126.com [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Dong, Wen-Wen [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Zhou, Chun-Sheng [Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Comprehensive Utilization of Tailings Resources, Shang Luo University, Shang Luo 726000 (China)

2015-03-15

Two new interpenetrating Cu{sup II}/Ni{sup II} coordination polymers, based on a unsymmetrical bifunctional N/O-tectonic 3-(pyrid-4′-yl)-5-(4″-carbonylphenyl)-1,2,4-triazolyl (H{sub 2}pycz), ([Cu-(Hpycz){sub 2}]·2H{sub 2}O){sub n} (1) and ([Ni(Hpycz){sub 2}]·H{sub 2}O){sub n} (2), have been solvothermally synthesized and structure characterization. Single crystal X-ray analysis indicates that compound 1 shows 2-fold parallel interpenetrated 4{sup 4}-sql layers with the same handedness. The overall structure of 1 is achiral—in each layer of doubly interpenetrating nets, the two individual nets have the opposite handedness to the corresponding nets in the adjoining layers—while 2 features a rare 8-fold interpenetrating 6{sup 6}-dia network that belongs to class IIIa interpenetration. In addition, compounds 1 and 2 both show similar paramagnetic characteristic properties. - Graphical abstract: Two new Cu(II)/Ni(II) coordination polymers present 2D parallel 2-fold interpenetrated 4{sup 4}-sql layers and a rare 3D 8-fold interpenetrating 6{sup 6}-dia network. In addition, magnetic susceptibility measurements show similar paramagnetic characteristic for two complexes. - Highlights: • A new unsymmetrical bifunctional N/O-tectonic as 4-connected spacer. • A 2-fold parallel interpenetrated sql layer with the same handedness. • A rare 8-fold interpenetrating dia network (class IIIa)

SiO{sub 2} effect on spectral and colorimetric properties of europium doped SrO{sub 2}-MgO-xSiO{sub 2} (0.8 {<=} x {<=} 1.6) phosphor for white LEDs

Energy Technology Data Exchange (ETDEWEB)

Chen, B J; Jang, K W; Lee, H S; Jayasimhadri, M; Cho, E J [Department of Physics, Changwon National University, Changwon, 641-773 (Korea, Republic of); Yi, S S [Department of Photonics, Silla University, Pusan 617-736 (Korea, Republic of); Jeong, J H [Department of Physics, Pukyong National University, Pusan 608-737 (Korea, Republic of)], E-mail: kwjang@changwon.ac.kr

2009-05-21

Silicate phosphors with compositions 1.99 SrO{sub 2}-1.0 MgO-xSiO{sub 2}-0.01 Eu{sub 2}O{sub 3} (x = 0.8, 1.0, 1.2, 1.4 and 1.6) were prepared in a reducing atmosphere via a solid state reaction. The resultant phosphors were examined by using x-ray diffraction and confirmed to be a mixture of monoclinic Sr{sub 2}SiO{sub 4} and orthorhombic Mg{sub 2}(Si{sub 2}O{sub 4}). The scanning electron microscope images revealed that SiO{sub 2} content does not influence the morphology of the resultant phosphors. It was also observed that the excitation spectra are dependent on the monitored emission wavelength, and the emission spectra are dependent on the excitation wavelength and the SiO{sub 2} content. The energy transfer between Eu{sup 2+} ions occupying different Sr{sup 2+} sites was discussed. The colour coordinates for these phosphors are tunable based on both the excitation wavelength and the SiO{sub 2} content.

Effective Delivery of PEGylated siRNA-Containing Lipoplexes to Extraperitoneal Tumours following Intraperitoneal Administration

Directory of Open Access Journals (Sweden)

Akul Singhania

2011-01-01

Full Text Available Intraperitoneal (i.p. administration of small interfering RNA (siRNA has, to date, shown promise in treating tumours located within the peritoneal cavity. The ability of these siRNA molecules to reach extraperitoneal tumours following i.p. administration is, however, yet to be investigated. Here, we examined the impact of PEGylation on the biodistribution of i.p. administered nucleic acids-containing lipoplexes. We showed that in contrast to non-PEGylated liposomes, PEGylated liposomes can deliver siRNA efficiently to extraperitoneal tumours following i.p. administration, resulting in a 45% reduction in tumour size when the oncogene-targeted siRNA was used. This difference was likely contributed by the decreased uptake of PEGylated lipoplexes in the first-pass organs, and, in particular, we observed a 10-fold decrease in the macrophage uptake of these particles compared to non-PEGylated counterparts. Overall, our results indicated the potential of using PEGylated liposomes to deliver siRNA for the treatment of i.p. localized cancer with coexisting extraperitoneal metastasis.

Nanocrystalline Si pathway induced unipolar resistive switching behavior from annealed Si-rich SiNx/SiNy multilayers

International Nuclear Information System (INIS)

Jiang, Xiaofan; Ma, Zhongyuan; Yang, Huafeng; Yu, Jie; Wang, Wen; Zhang, Wenping; Li, Wei; Xu, Jun; Xu, Ling; Chen, Kunji; Huang, Xinfan; Feng, Duan

2014-01-01

Adding a resistive switching functionality to a silicon microelectronic chip is a new challenge in materials research. Here, we demonstrate that unipolar and electrode-independent resistive switching effects can be realized in the annealed Si-rich SiN x /SiN y multilayers with high on/off ratio of 10 9 . High resolution transmission electron microscopy reveals that for the high resistance state broken pathways composed of discrete nanocrystalline silicon (nc-Si) exist in the Si nitride multilayers. While for the low resistance state the discrete nc-Si regions is connected, forming continuous nc-Si pathways. Based on the analysis of the temperature dependent I-V characteristics and HRTEM photos, we found that the break-and-bridge evolution of nc-Si pathway is the origin of resistive switching memory behavior. Our findings provide insights into the mechanism of the resistive switching behavior in nc-Si films, opening a way for it to be utilized as a material in Si-based memories.

Nanocrystalline Si pathway induced unipolar resistive switching behavior from annealed Si-rich SiNx/SiNy multilayers

Science.gov (United States)

Jiang, Xiaofan; Ma, Zhongyuan; Yang, Huafeng; Yu, Jie; Wang, Wen; Zhang, Wenping; Li, Wei; Xu, Jun; Xu, Ling; Chen, Kunji; Huang, Xinfan; Feng, Duan

2014-09-01

Adding a resistive switching functionality to a silicon microelectronic chip is a new challenge in materials research. Here, we demonstrate that unipolar and electrode-independent resistive switching effects can be realized in the annealed Si-rich SiNx/SiNy multilayers with high on/off ratio of 109. High resolution transmission electron microscopy reveals that for the high resistance state broken pathways composed of discrete nanocrystalline silicon (nc-Si) exist in the Si nitride multilayers. While for the low resistance state the discrete nc-Si regions is connected, forming continuous nc-Si pathways. Based on the analysis of the temperature dependent I-V characteristics and HRTEM photos, we found that the break-and-bridge evolution of nc-Si pathway is the origin of resistive switching memory behavior. Our findings provide insights into the mechanism of the resistive switching behavior in nc-Si films, opening a way for it to be utilized as a material in Si-based memories.

Doctors' experience of coordination across care levels and associated factors. A cross-sectional study in public healthcare networks of six Latin American countries.

Science.gov (United States)

Vázquez, María-Luisa; Vargas, Ingrid; Garcia-Subirats, Irene; Unger, Jean-Pierre; De Paepe, Pierre; Mogollón-Pérez, Amparo Susana; Samico, Isabella; Eguiguren, Pamela; Cisneros, Angelica-Ivonne; Huerta, Adriana; Muruaga, María-Cecilia; Bertolotto, Fernando

2017-06-01

Improving coordination between primary care (PC) and secondary care (SC) has become a policy priority in recent years for many Latin American public health systems looking to reinforce a healthcare model based on PC. However, despite being a longstanding concern, it has scarcely been analyzed in this region. This paper analyses the level of clinical coordination between PC and SC experienced by doctors and explores influencing factors in public healthcare networks of Argentina, Brazil, Chile, Colombia, Mexico and Uruguay. A cross-sectional study was carried out based on a survey of doctors working in the study networks (348 doctors per country). The COORDENA questionnaire was applied to measure their experiences of clinical management and information coordination, and their related factors. Descriptive analyses were conducted and a multivariate logistic regression model was generated to assess the relationship between general perception of care coordination and associated factors. With some differences between countries, doctors generally reported limited care coordination, mainly in the transfer of information and communication for the follow-up of patients and access to SC for referred patients, especially in the case of PC doctors and, to a lesser degree, inappropriate clinical referrals and disagreement over treatments, in the case of SC doctors. Factors associated with a better general perception of coordination were: being a SC doctor, considering that there is enough time for coordination within consultation hours, job and salary satisfaction, identifying the PC doctor as the coordinator of patient care across levels, knowing the doctors of the other care level and trusting in their clinical skills. These results provide evidence of problems in the implementation of a primary care-based model that require changes in aspects of employment, organization and interaction between doctors, all key factors for coordination. Copyright © 2017 The Authors. Published

Lattice location of implanted transition metals in 3C–SiC

CERN Document Server

AUTHOR|(CDS)2085259; Wahl, Ulrich; Martins Correia, Joao; David Bosne, Eric; Amorim, Lígia; Silva, Daniel; Castro Ribeiro Da Silva, Manuel; Bharuth-Ram, Krishanlal; Da Costa Pereira, Lino Miguel

2017-01-01

We have investigated the lattice location of implanted transition metal (TM) 56Mn, 59Fe and 65Ni ions in undoped single-crystalline cubic 3C–SiC by means of the emission channeling technique using radioactive isotopes produced at the CERN-ISOLDE facility. We find that in the room temperature as-implanted state, most Mn, Fe and Ni atoms occupy carbon-coordinated tetrahedral interstitial sites (TC). Smaller TM fractions were also found on Si substitutional (SSi) sites. The TM atoms partially disappear from ideal-TC positions during annealing at temperatures between 500 °C and 700 °C, which is accompanied by an increase in the TM fraction occupying both SSi sites and random sites. An explanation is given according to what is known about the annealing mechanisms of silicon vacancies in silicon carbide. The origin of the observed lattice sites and their changes with thermal annealing are discussed and compared to the case of Si, highlighting the feature that the interstitial migration of TMs in SiC is much slo...

High capacitance density MIS capacitor using Si nanowires by MACE and ALD alumina dielectric

Energy Technology Data Exchange (ETDEWEB)

Leontis, I.; Nassiopoulou, A. G., E-mail: A.Nassiopoulou@inn.demokritos.gr [INN, NCSR Demokritos, Patriarchou Grigoriou and Neapoleos, Aghia Paraskevi, 153 10 Athens (Greece); Botzakaki, M. A.; Georga, S. N. [Department of Physics, University of Patras, 26 504 Rion (Greece)

2016-06-28

High capacitance density three-dimensional (3D) metal-insulator-semiconductor (MIS) capacitors using Si nanowires (SiNWs) by metal-assisted chemical etching and atomic-layer-deposited alumina dielectric film were fabricated and electrically characterized. A chemical treatment was used to remove structural defects from the nanowire surface, in order to reduce the density of interface traps at the Al{sub 2}O{sub 3}/SiNW interface. SiNWs with two different lengths, namely, 1.3 μm and 2.4 μm, were studied. A four-fold capacitance density increase compared to a planar reference capacitor was achieved with the 1.3 μm SiNWs. In the case of the 2.4 μm SiNWs this increase was ×7, reaching a value of 4.1 μF/cm{sup 2}. Capacitance-voltage (C-V) measurements revealed that, following a two-cycle chemical treatment, frequency dispersion at accumulation regime and flat-band voltage shift disappeared in the case of the 1.3 μm SiNWs, which is indicative of effective removal of structural defects at the SiNW surface. In the case of the 2.4 μm SiNWs, frequency dispersion at accumulation persisted even after the two-step chemical treatment. This is attributed to a porous Si layer at the SiNW tops, which is not effectively removed by the chemical treatment. The electrical losses of MIS capacitors in both cases of SiNW lengths were studied and will be discussed.

High capacitance density MIS capacitor using Si nanowires by MACE and ALD alumina dielectric

International Nuclear Information System (INIS)

Leontis, I.; Nassiopoulou, A. G.; Botzakaki, M. A.; Georga, S. N.

2016-01-01

High capacitance density three-dimensional (3D) metal-insulator-semiconductor (MIS) capacitors using Si nanowires (SiNWs) by metal-assisted chemical etching and atomic-layer-deposited alumina dielectric film were fabricated and electrically characterized. A chemical treatment was used to remove structural defects from the nanowire surface, in order to reduce the density of interface traps at the Al_2O_3/SiNW interface. SiNWs with two different lengths, namely, 1.3 μm and 2.4 μm, were studied. A four-fold capacitance density increase compared to a planar reference capacitor was achieved with the 1.3 μm SiNWs. In the case of the 2.4 μm SiNWs this increase was ×7, reaching a value of 4.1 μF/cm"2. Capacitance-voltage (C-V) measurements revealed that, following a two-cycle chemical treatment, frequency dispersion at accumulation regime and flat-band voltage shift disappeared in the case of the 1.3 μm SiNWs, which is indicative of effective removal of structural defects at the SiNW surface. In the case of the 2.4 μm SiNWs, frequency dispersion at accumulation persisted even after the two-step chemical treatment. This is attributed to a porous Si layer at the SiNW tops, which is not effectively removed by the chemical treatment. The electrical losses of MIS capacitors in both cases of SiNW lengths were studied and will be discussed.

How Does Mg2+ Modulate the RNA Folding Mechanism: A Case Study of the G:C W:W Trans Basepair.

Science.gov (United States)

Halder, Antarip; Roy, Rohit; Bhattacharyya, Dhananjay; Mitra, Abhijit

2017-07-25

Reverse Watson-Crick G:C basepairs (G:C W:W Trans) occur frequently in different functional RNAs. This is one of the few basepairs whose gas-phase-optimized isolated geometry is inconsistent with the corresponding experimental geometry. Several earlier studies indicate that through post-transcriptional modification, direct protonation, or coordination with Mg 2+ , accumulation of positive charge near N7 of guanine can stabilize the experimental geometry. Interestingly, recent studies reveal significant variation in the position of putatively bound Mg 2+ . This, in conjunction with recently raised doubts regarding some of the Mg 2+ assignments near the imino nitrogen of guanine, is suggestive of the existence of multiple Mg 2+ binding modes for this basepair. Our detailed investigation of Mg 2+ -bound G:C W:W Trans pairs occurring in high-resolution RNA crystal structures shows that they are found in 14 different contexts, eight of which display Mg 2+ binding at the Hoogsteen edge of guanine. Further examination of occurrences in these eight contexts led to the characterization of three different Mg 2+ binding modes: 1) direct binding via N7 coordination, 2) direct binding via O6 coordination, and 3) binding via hydrogen-bonding interaction with the first-shell water molecules. In the crystal structures, the latter two modes are associated with a buckled and propeller-twisted geometry of the basepair. Interestingly, respective optimized geometries of these different Mg 2+ binding modes (optimized using six different DFT functionals) are consistent with their corresponding experimental geometries. Subsequent interaction energy calculations at the MP2 level, and decomposition of its components, suggest that for G:C W:W Trans , Mg 2+ binding can fine tune the basepair geometries without compromising with their stability. Our results, therefore, underline the importance of the mode of binding of Mg 2+ ions in shaping RNA structure, folding and function. Copyright �

A computational study on the energetics and mechanisms for the dissociative adsorption of SiHx(x = 1-4) on W(1 1 1) surface

Science.gov (United States)

Lin, Y. H.; Raghunath, P.; Lin, M. C.

2016-01-01

The adsorption and dissociation mechanisms of SiHx(x = 1-4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH4 on a top site, T-SiH4(a), it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH3, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH2, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiHx species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiHx(a) to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiHx-1 within ± 1 kcal/mol.

Hg-coordination studies of oligopeptides containing cysteine, histidine and tyrosine by $^{199m}$Hg-TDPAC

CERN Document Server

Ctortecka, B; Mallion, S; Butz, T; Hoffmann, R

1999-01-01

In order to study the interaction of histidine- and tyrosine- containing peptide chains with Hg(II), the nuclear quadrupole interaction (NQI) of /sup 199m/Hg in the Hg complexes of the oligopeptides alanyl-alanyl-histidyl-alanyl-alanine-amid (AAHAA-NH /sub 2/) and alanyl-alanyl-tyrosyl-alanyl-alanine-amid (AAYAA-NH/sub 2/) was determined by time differential perturbed angular correlation and is compared with previous data on alanyl-alanyl-cysteyl-alanyl- alanyl (AACAA-OH). The /sup 199m/Hg-NQIs depend on the oligopeptide to Hg(II) stoichiometry and indicate that two-fold and four-fold coordinations occur for the bound Hg(II). (12 refs).

Crystal Structure of Homo Sapiens PTD012 Reveals a Zinc-Containing Hydrolase Fold

Energy Technology Data Exchange (ETDEWEB)

Manjasetty,B.; Bussow, K.; Fieber-ErdMan, M.; Roske, Y.; Gobam, J.; Scheich, C.; Gotz, F.; Niesen, F.; Heinemann, U.

2006-01-01

The human protein PTD012 is the longer product of an alternatively spliced gene and was described to be localized in the nucleus. The X-ray structure analysis at 1.7 Angstroms resolution of PTD012 through SAD phasing reveals a monomeric protein and a novel fold. The shorter splice form was also studied and appears to be unfolded and non-functional. The structure of PTD012 displays an {alpha}{beta}{beta}{alpha} four-layer topology. A metal ion residing between the central {beta}-sheets is partially coordinated by three histidine residues. X-ray absorption near-edge structure (XANES) analysis identifies the PTD012-bound ion as Zn{sup 2+}. Tetrahedral coordination of the ion is completed by the carboxylate oxygen atom of an acetate molecule taken up from the crystallization buffer. The binding of Zn{sup 2+} to PTD012 is reminiscent of zinc-containing enzymes such as carboxypeptidase, carbonic anhydrase, and {beta}-lactamase. Biochemical assays failed to demonstrate any of these enzyme activities in PTD012. However, PTD012 exhibits ester hydrolase activity on the substrate p-nitrophenyl acetate.

Influence of preparation and storage conditions on photoluminescence of porous silicon powder with embedded Si nanocrystals

International Nuclear Information System (INIS)

Bychto, Leszek; Balaguer, Maria; Pastor, Ester; Chirvony, Vladimir; Matveeva, Eugenia

2008-01-01

The time changes of photoluminescence (PL) characteristics of porous silicon (porSi) powder during storing in different ambients have been reported. A porous silicon material with embedded Si nanocrystals of size of few nanometers was prepared by an electrochemical method from 10 to 20 Ωcm p-type Si wafers, and both constant and pulse current anodization regimes were used. A powder with a submicron average particle size was obtained by simple mechanical lift-off of the porous layer followed by additional manual milling. The air, hexane, and water as storage media were used, and modification by a nonionic surfactant (undecylenic acid) of the porSi surface was applied in the latter case. Dependence of PL characteristics on preparation and storage conditions was then studied. A remarkable blue shift of a position of PL maximum was observed in time for porSi powders in each storage media. In water suspension a many-fold build-up (10-30) of PL intensity in a time scale of few days was accompanied by an observed blue shift. Photoluminescence time behavior of porSi powders was described by a known mechanism of the change of porSi PL from free exciton emission of Si nanocrystals to luminescence of localized oxidized states on the Si nanocrystal surface.

Influence of preparation and storage conditions on photoluminescence of porous silicon powder with embedded Si nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Bychto, Leszek, E-mail: leszek.bychto@tu.koszalin.pl; Balaguer, Maria; Pastor, Ester; Chirvony, Vladimir; Matveeva, Eugenia, E-mail: eumat@upvnet.upv.e [Technical University of Valencia, Nanophotonics Technology Center (Spain)

2008-12-15

The time changes of photoluminescence (PL) characteristics of porous silicon (porSi) powder during storing in different ambients have been reported. A porous silicon material with embedded Si nanocrystals of size of few nanometers was prepared by an electrochemical method from 10 to 20 {Omega}cm p-type Si wafers, and both constant and pulse current anodization regimes were used. A powder with a submicron average particle size was obtained by simple mechanical lift-off of the porous layer followed by additional manual milling. The air, hexane, and water as storage media were used, and modification by a nonionic surfactant (undecylenic acid) of the porSi surface was applied in the latter case. Dependence of PL characteristics on preparation and storage conditions was then studied. A remarkable blue shift of a position of PL maximum was observed in time for porSi powders in each storage media. In water suspension a many-fold build-up (10-30) of PL intensity in a time scale of few days was accompanied by an observed blue shift. Photoluminescence time behavior of porSi powders was described by a known mechanism of the change of porSi PL from free exciton emission of Si nanocrystals to luminescence of localized oxidized states on the Si nanocrystal surface.

Influence of preparation and storage conditions on photoluminescence of porous silicon powder with embedded Si nanocrystals

Science.gov (United States)

Bychto, Leszek; Balaguer, Maria; Pastor, Ester; Chirvony, Vladimir; Matveeva, Eugenia

2008-12-01

The time changes of photoluminescence (PL) characteristics of porous silicon (porSi) powder during storing in different ambients have been reported. A porous silicon material with embedded Si nanocrystals of size of few nanometers was prepared by an electrochemical method from 10 to 20 Ωcm p-type Si wafers, and both constant and pulse current anodization regimes were used. A powder with a submicron average particle size was obtained by simple mechanical lift-off of the porous layer followed by additional manual milling. The air, hexane, and water as storage media were used, and modification by a nonionic surfactant (undecylenic acid) of the porSi surface was applied in the latter case. Dependence of PL characteristics on preparation and storage conditions was then studied. A remarkable blue shift of a position of PL maximum was observed in time for porSi powders in each storage media. In water suspension a many-fold build-up (10-30) of PL intensity in a time scale of few days was accompanied by an observed blue shift. Photoluminescence time behavior of porSi powders was described by a known mechanism of the change of porSi PL from free exciton emission of Si nanocrystals to luminescence of localized oxidized states on the Si nanocrystal surface.

SVM-Fold: a tool for discriminative multi-class protein fold and superfamily recognition.

Science.gov (United States)

Melvin, Iain; Ie, Eugene; Kuang, Rui; Weston, Jason; Stafford, William Noble; Leslie, Christina

2007-05-22

Predicting a protein's structural class from its amino acid sequence is a fundamental problem in computational biology. Much recent work has focused on developing new representations for protein sequences, called string kernels, for use with support vector machine (SVM) classifiers. However, while some of these approaches exhibit state-of-the-art performance at the binary protein classification problem, i.e. discriminating between a particular protein class and all other classes, few of these studies have addressed the real problem of multi-class superfamily or fold recognition. Moreover, there are only limited software tools and systems for SVM-based protein classification available to the bioinformatics community. We present a new multi-class SVM-based protein fold and superfamily recognition system and web server called SVM-Fold, which can be found at http://svm-fold.c2b2.columbia.edu. Our system uses an efficient implementation of a state-of-the-art string kernel for sequence profiles, called the profile kernel, where the underlying feature representation is a histogram of inexact matching k-mer frequencies. We also employ a novel machine learning approach to solve the difficult multi-class problem of classifying a sequence of amino acids into one of many known protein structural classes. Binary one-vs-the-rest SVM classifiers that are trained to recognize individual structural classes yield prediction scores that are not comparable, so that standard "one-vs-all" classification fails to perform well. Moreover, SVMs for classes at different levels of the protein structural hierarchy may make useful predictions, but one-vs-all does not try to combine these multiple predictions. To deal with these problems, our method learns relative weights between one-vs-the-rest classifiers and encodes information about the protein structural hierarchy for multi-class prediction. In large-scale benchmark results based on the SCOP database, our code weighting approach

Quantification of Porcine Vocal Fold Geometry.

Science.gov (United States)

Stevens, Kimberly A; Thomson, Scott L; Jetté, Marie E; Thibeault, Susan L

2016-07-01

The aim of this study was to quantify porcine vocal fold medial surface geometry and three-dimensional geometric distortion induced by freezing the larynx, especially in the region of the vocal folds. The medial surface geometries of five excised porcine larynges were quantified and reported. Five porcine larynges were imaged in a micro-CT scanner, frozen, and rescanned. Segmentations and three-dimensional reconstructions were used to quantify and characterize geometric features. Comparisons were made with geometry data previously obtained using canine and human vocal folds as well as geometries of selected synthetic vocal fold models. Freezing induced an overall expansion of approximately 5% in the transverse plane and comparable levels of nonuniform distortion in sagittal and coronal planes. The medial surface of the porcine vocal folds was found to compare reasonably well with other geometries, although the compared geometries exhibited a notable discrepancy with one set of published human female vocal fold geometry. Porcine vocal folds are qualitatively geometrically similar to data available for canine and human vocal folds, as well as commonly used models. Freezing of tissue in the larynx causes distortion of around 5%. The data can provide direction in estimating uncertainty due to bulk distortion of tissue caused by freezing, as well as quantitative geometric data that can be directly used in developing vocal fold models. Copyright © 2016 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Graph-representation of oxidative folding pathways

Directory of Open Access Journals (Sweden)

Kaján László

2005-01-01

Full Text Available Abstract Background The process of oxidative folding combines the formation of native disulfide bond with conformational folding resulting in the native three-dimensional fold. Oxidative folding pathways can be described in terms of disulfide intermediate species (DIS which can also be isolated and characterized. Each DIS corresponds to a family of folding states (conformations that the given DIS can adopt in three dimensions. Results The oxidative folding space can be represented as a network of DIS states interconnected by disulfide interchange reactions that can either create/abolish or rearrange disulfide bridges. We propose a simple 3D representation wherein the states having the same number of disulfide bridges are placed on separate planes. In this representation, the shuffling transitions are within the planes, and the redox edges connect adjacent planes. In a number of experimentally studied cases (bovine pancreatic trypsin inhibitor, insulin-like growth factor and epidermal growth factor, the observed intermediates appear as part of contiguous oxidative folding pathways. Conclusions Such networks can be used to visualize folding pathways in terms of the experimentally observed intermediates. A simple visualization template written for the Tulip package http://www.tulip-software.org/ can be obtained from V.A.

Electronic states at Si-SiO2 interface introduced by implantation of Si in thermal SiO2

International Nuclear Information System (INIS)

Kalnitsky, A.; Poindexter, E.H.; Caplan, P.J.

1990-01-01

Interface traps due to excess Si introduced into the Si-SiO 2 system by ion implantation are investigated. Implanted oxides are shown to have interface traps at or slightly above the Si conduction band edge with densities proportional to the density of off-stoichiometric Si at the Si-SiO 2 interface. Diluted oxygen annealing is shown to result in physical separation of interface traps and equilibrium substrate electrons, demonstrating that ''interface'' states are located within a 0.5 nm thick layer of SiO 2 . Possible charge trapping mechanisms are discussed and the effect of these traps on MOS transistor characteristics is described using a sheet charge model. (author)

Understanding ensemble protein folding at atomic detail

International Nuclear Information System (INIS)

Wallin, Stefan; Shakhnovich, Eugene I

2008-01-01

Although far from routine, simulating the folding of specific short protein chains on the computer, at a detailed atomic level, is starting to become a reality. This remarkable progress, which has been made over the last decade or so, allows a fundamental aspect of the protein folding process to be addressed, namely its statistical nature. In order to make quantitative comparisons with experimental kinetic data a complete ensemble view of folding must be achieved, with key observables averaged over the large number of microscopically different folding trajectories available to a protein chain. Here we review recent advances in atomic-level protein folding simulations and the new insight provided by them into the protein folding process. An important element in understanding ensemble folding kinetics are methods for analyzing many separate folding trajectories, and we discuss techniques developed to condense the large amount of information contained in an ensemble of trajectories into a manageable picture of the folding process. (topical review)

Vocal fold injection medialization laryngoplasty.

Science.gov (United States)

Modi, Vikash K

2012-01-01

Unilateral vocal fold paralysis (UVFP) can cause glottic insufficiency that can result in hoarseness, chronic cough, dysphagia, and/or aspiration. In rare circumstances, UVFP can cause airway obstruction necessitating a tracheostomy. The treatment options for UVFP include observation, speech therapy, vocal fold injection medialization laryngoplasty, thyroplasty, and laryngeal reinnervation. In this chapter, the author will discuss the technique of vocal fold injection for medialization of a UVFP. Copyright © 2012 S. Karger AG, Basel.

Co-ordinate regulation of the cystic fibrosis and multidrug resistance genes in cystic fibrosis knockout mice.

Science.gov (United States)

Trezise, A E; Ratcliff, R; Hawkins, T E; Evans, M J; Freeman, T C; Romano, P R; Higgins, C F; Colledge, W H

1997-04-01

The cystic fibrosis (Cftr and multidrug resistance (Mdr1) genes encode structurally similar proteins which are members of the ABC transporter superfamily. These genes exhibit complementary patterns of expression in vivo, suggesting that the regulation of their expression may be co-ordinated. We have tested this hypothesis in vivo by examining Cftr and Mdr1 expression in cystic fibrosis knockout transgenic mice (Cftr(tm1CAM)). Cftr mRNA expression in Cftr(tm1CAM)/Cftr(tm1CAM) mice was 4-fold reduced in the intestine, as compared with littermate wild-type mice. All other Cftr(tm1CAM)/Cftr(tm1CAM) mouse tissues examined showed similar reductions in Cftr expression. In contrast, we observed a 4-fold increase in Mdr1 mRNA expression in the intestines of neonatal and 3- to 4-week-old Cftr(tm1CAM)/Cftr(tm1CAM) mice, as compared with age-matched +/+ mice, and an intermediate level of Mdr1 mRNA in heterozygous Cftr(tm1CAM) mice. In 10-week-old, Cftr(tm1CAM)/Cftr(tm1CAM) mice and in contrast to the younger mice, Mdr1 mRNA expression was reduced, by 3-fold. The expression of two control genes, Pgk-1 and Mdr2, was similar in all genotypes, suggesting that the changes in Mdr1 mRNA levels observed in the Cftr(tm1CAM)/Cftr(tm1CAM) mice are specific to the loss of Cftr expression and/or function. These data provide further evidence supporting the hypothesis that the regulation Cftr and Mdr1 expression is co-ordinated in vivo, and that this co-ordinate regulation is influenced by temporal factors.

Ansa-RLN reinnervation for unilateral vocal fold paralysis in adolescents and young adults.

Science.gov (United States)

Smith, Marshall E; Roy, Nelson; Stoddard, Kelly

2008-09-01

To assess the outcomes of management of unilateral vocal fold paralysis by ansa-RLN reinnervation in a series of patients ages 12-21. Clinical outcomes study. Six consecutive adolescents and young adults (ages 12-21 years) seeking treatment for unilateral vocal fold paralysis and glottal incompetence underwent ansa-RLN neurorraphy. Pre- and post-operative voice recordings acquired at least 1 year following surgery were submitted to acoustic and perceptual analysis. Patient-based measures were also taken. Mean perceptual visual analogue scale rating of dysphonia severity (0mm=profoundly abnormal voice, 100mm=completely normal voice) improved from 50mm pre-operatively to 82mm post-operatively. Mean maximum phonation time improved from 6.5s to 13.2s. Pitch and dynamic range were also observed to improve. Global self-ratings of voice function (0-100%) increased from 31.2% to 81.6% of normal. Ansa-RLN reinnervation is an effective treatment option for adolescents and young adults with unilateral vocal fold paralysis. The procedure has the potential to improve vocal function substantially, especially in those with isolated paralysis of the recurrent laryngeal nerve. The procedure alleviates the disadvantages associated with other surgical options for this age group.

Numeric kinetic energy operators for molecules in polyspherical coordinates

International Nuclear Information System (INIS)

Sadri, Keyvan; Meyer, Hans-Dieter; Lauvergnat, David; Gatti, Fabien

2012-01-01

Generalized curvilinear coordinates, as, e.g., polyspherical coordinates, are in general better adapted to the resolution of the nuclear Schrödinger equation than rectilinear ones like the normal mode coordinates. However, analytical expressions of the kinetic energy operators (KEOs) for molecular systems in polyspherical coordinates may be prohibitively complicated for large systems. In this paper we propose a method to generate a KEO numerically and bring it to a form practicable for dynamical calculations. To examine the new method we calculated vibrational spectra and eigenenergies for nitrous acid (HONO) and compare it with results obtained with an exact analytical KEO derived previously [F. Richter, P. Rosmus, F. Gatti, and H.-D. Meyer, J. Chem. Phys. 120, 6072 (2004)]. In a second example we calculated π→π* photoabsorption spectrum and eigenenergies of ethene (C 2 H 4 ) and compared it with previous work [M. R. Brill, F. Gatti, D. Lauvergnat, and H.-D. Meyer, Chem. Phys. 338, 186 (2007)]. In this ethene study the dimensionality was reduced from 12 to 6 by freezing six internal coordinates. Results for both molecules show that the proposed method for obtaining an approximate KEO is reliable for dynamical calculations. The error in eigenenergies was found to be below 1 cm −1 for most states calculated.

Nonvolatile field effect transistors based on protons and Si/SiO2Si structures

International Nuclear Information System (INIS)

Warren, W.L.; Vanheusden, K.; Fleetwood, D.M.; Schwank, J.R.; Winokur, P.S.; Knoll, M.G.; Devine, R.A.B.

1997-01-01

Recently, the authors have demonstrated that annealing Si/SiO 2 /Si structures in a hydrogen containing ambient introduces mobile H + ions into the buried SiO 2 layer. Changes in the H + spatial distribution within the SiO 2 layer were electrically monitored by current-voltage (I-V) measurements. The ability to directly probe reversible protonic motion in Si/SiO 2 /Si structures makes this an exemplar system to explore the physics and chemistry of hydrogen in the technologically relevant Si/SiO 2 structure. In this work, they illustrate that this effect can be used as the basis for a programmable nonvolatile field effect transistor (NVFET) memory that may compete with other Si-based memory devices. The power of this novel device is its simplicity; it is based upon standard Si/SiO 2 /Si technology and forming gas annealing, a common treatment used in integrated circuit processing. They also briefly discuss the effects of radiation on its retention properties

Coordination and collective performance: Cooperative goals boost interpersonal synchrony and task outcomes

Directory of Open Access Journals (Sweden)

Jamie S. Allsop

2016-09-01

Full Text Available Whether it be a rugby team or a rescue crew, ensuring peak group performance is a primary goal during collective activities. In reality however, groups often suffer from productivity losses that can lead to less than optimal outputs. Where researchers have focused on this problem, inefficiencies in the way team members coordinate their efforts has been identified as one potent source of productivity decrements. Here we set out to explore whether performance on a simple object movement task is shaped by the spontaneous emergence of interpersonally coordinated behavior. Forty-six pairs of participants were instructed to either compete or cooperate in order to empty a container of approximately 100 small plastic balls as quickly and accurately as possible. Each trial was recorded to video and a frame-differencing approach was employed to estimate between-person coordination. The results revealed that cooperative pairs coordinated to a greater extent than their competitive counterparts. Furthermore, coordination, as well as movement regularity were positively related to accuracy, an effect that was most prominent when the task was structured such that opportunities to coordinate were restricted. These findings are discussed with regard to contemporary theories of coordination and collective performance.

Six-fold difference in the stomach cancer mortality rate between northern and southern Iran.

Science.gov (United States)

Zendehdel, Kazem; Marzban, Maryam; Nahvijou, Azin; Jafari, Nahid

2012-12-01

Stomach cancer is the most common cancer in Iran. A multi-ethnic population and wide variation in the environmental risk factors may lead to variations in cancer risk within this country. We have designed an ecological study and evaluated geographical variation regarding mortality from stomach cancer and its established risk factors in Iran.  We used the Iranian National Causes of Death Registry and estimated the age-standardized mortality rates (ASMR) of stomach cancer in 29 Iranian provinces, stratified by sex and area of residence (rural/urban).  The average ASMR of stomach cancer among Iranian males was 15 per 100,000 and for females it was 8.1 per 100,000. The highest and lowest mortality rates were observed in Kurdistan with an ASMR of 29.1 per 100,000 in northwestern Iran and Hormozgan that had an ASMR of 5.0 per 100,000 in southern Iran. Males had approximately a two-fold higher ASMR compared to females, as did rural residents when compared with urban residents. The prevalence of H. pylori infection was about 90% in the province of Ardabil (a high-risk area) and 27% in the province of Sistan-Baluchistan (a low-risk area).  The wide geographical variation and high mortality rate of stomach cancer in Iran is likely due to differences in the exposure to the environmental risk factors among people living in the high- and low-risk areas, particularly H. pylori infection, a well-established risk factor of stomach cancer.

Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

International Nuclear Information System (INIS)

Muehlbauer, Sebastian C.

2009-01-01

In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of ∝ 10 4 . We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c 44 by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying crystal symmetry. The

Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

Energy Technology Data Exchange (ETDEWEB)

Muehlbauer, Sebastian C

2009-12-10

In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of {proportional_to} 10{sup 4}. We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c{sub 44} by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying

Genome-wide characterization of the SiDof gene family in foxtail millet (Setaria italica).

Science.gov (United States)

Zhang, Li; Liu, Baoling; Zheng, Gewen; Zhang, Aiying; Li, Runzhi

2017-01-01

Dof (DNA binding with one finger) proteins, which constitute a class of transcription factors found exclusively in plants, are involved in numerous physiological and biochemical reactions affecting growth and development. A genome-wide analysis of SiDof genes was performed in this study. Thirty five SiDof genes were identified and those genes were unevenly distributed across nine chromosomes in the Seteria italica genome. Protein lengths, molecular weights, and theoretical isoelectric points of SiDofs all vary greatly. Gene structure analysis demonstrated that most SiDof genes lack introns. Phylogenetic analysis of SiDof proteins and Dof proteins from Arabidopsis thaliana, rice, sorghum, and Setaria viridis revealed six major groups. Analysis of RNA-Seq data indicated that SiDof gene expression levels varied across roots, stems, leaves, and spike. In addition, expression profiling of SiDof genes in response to stress suggested that SiDof 7 and SiDof 15 are involved in drought stress signalling. Overall, this study could provide novel information on SiDofs for further investigation in foxtail millet. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Spectroscopic and calorimetric investigation of short and intermediate-range structures and energetics of amorphous SiCO, SiCN, and SiBCN polymer-derived ceramics

Science.gov (United States)

Widgeon, Scarlett J.

transport properties such as electrical conductivity and viscosity may show power-law dependence on composition near and above the percolation threshold of the SiOC network or that of the free-carbon phase. Si(B)CN PDCs with different carbon contents were synthesized by pyrolysis of poly(boro)silylcarbodiimides and poly(boro)silazane precursors and their structure and energetics were studied using multi-nuclear, one- and two- dimensional NMR spectroscopy and oxide melt solution calorimetry. The structure of the polysilylcarbodiimide-derived SiCN PDCs at lower carbon content and pyrolysis temperatures (800 oC) consists of amorphous nanodomains of sp2 carbon and silicon nitride with an interfacial bonding between N, C and Si atoms that is stabilized by the presence of hydrogen. The interfacial Si-C and N-C bonds are destroyed with concomitant hydrogen loss upon increasing the pyrolysis temperature to 1100 oC. Calorimetry results demonstrate that the mixed bonding in the interfacial regions play a key role in the thermodynamic stabilization of these PDCs. The size of the carbon domains increases with increasing carbon content until a continuous amorphous carbon matrix is formed with 55-60 wt % C. The polyborosilylcarbodiimide-derived SiBCN ceramics contain carbon and silicon nitride nanodomains with the BN domains being present predominantly at the interface. In contrast, the structure of the polyborosilazane-derived ceramics consists of significant amount of mixed bonding in the nearest-neighbor coordination environments of Si and B atoms leading to the formation of SiC xN4-x tetrahedral units and BCN2 triangular units. The interfacial region between the SiCN and C nanodomains is occupied by the BCN phase. These results demonstrate that the chemistry of the polymeric precursors exerts major influence on the microstructure and bonding in their derived ceramics.

RNAiFold: a web server for RNA inverse folding and molecular design.

Science.gov (United States)

Garcia-Martin, Juan Antonio; Clote, Peter; Dotu, Ivan

2013-07-01

Synthetic biology and nanotechnology are poised to make revolutionary contributions to the 21st century. In this article, we describe a new web server to support in silico RNA molecular design. Given an input target RNA secondary structure, together with optional constraints, such as requiring GC-content to lie within a certain range, requiring the number of strong (GC), weak (AU) and wobble (GU) base pairs to lie in a certain range, the RNAiFold web server determines one or more RNA sequences, whose minimum free-energy secondary structure is the target structure. RNAiFold provides access to two servers: RNA-CPdesign, which applies constraint programming, and RNA-LNSdesign, which applies the large neighborhood search heuristic; hence, it is suitable for larger input structures. Both servers can also solve the RNA inverse hybridization problem, i.e. given a representation of the desired hybridization structure, RNAiFold returns two sequences, whose minimum free-energy hybridization is the input target structure. The web server is publicly accessible at http://bioinformatics.bc.edu/clotelab/RNAiFold, which provides access to two specialized servers: RNA-CPdesign and RNA-LNSdesign. Source code for the underlying algorithms, implemented in COMET and supported on linux, can be downloaded at the server website.

Analysis of fold distributions of segmented clover detectors

International Nuclear Information System (INIS)

Bhattacharya, Pintu; Kshetri, Ritesh

2015-01-01

We have studied the effect of segmentation on the full energy energy deposition of a gamma-ray through the studies on fold distribution. The response of seven segmented TIGRESS detectors up to an energy of 8 MeV has been studied by utilizing standard sources of 152 Eu, 56,60 Co and a radioactive 11 Be beam with an energy of 16.5 MeV. Experiment was performed at the ISAC-II facility at TRIUMF, using a thick gold target. The β¯ decay of 11 Be (τ 1/2 = 13.81(8) sec) produces high energy gamma-rays up to 7974 keV. A 1 mm thick annular double-sided silicon detector of the BAMBINO detector, was mounted 19.4 mm downstream of the target position and used for detection of the electrons in coincidence with the gamma-rays from the seven TIGRESS detectors. The master trigger allowed data to be collected either in Ge singles mode or with a Ge-Si coincidence condition. Standard sources of 152 Eu and 56,60 Co were also used to obtain low energy data

Age-Related Differences in Motor Coordination during Simultaneous Leg Flexion and Finger Extension: Influence of Temporal Pressure

Science.gov (United States)

Hussein, Tarek; Yiou, Eric; Larue, Jacques

2013-01-01

Although the effect of temporal pressure on spatio-temporal aspects of motor coordination and posture is well established in young adults, there is a clear lack of data on elderly subjects. This work examined the aging-related effects of temporal pressure on movement synchronization and dynamic stability. Sixteen young and eleven elderly subjects performed series of simultaneous rapid leg flexions in an erect posture paired with ipsilateral index-finger extensions, minimizing the difference between heel and finger movement onsets. This task was repeated ten times under two temporal conditions (self-initiated [SI] vs. reaction-time [RT]). Results showed that, first, temporal pressure modified movement synchronization; the finger extension preceded swing heel-off in RT, and inversely in SI. Synchronization error and associated standard deviation were significantly greater in elderly than in young adults in SI only, i.e. in the condition where proprioception is thought to be crucial for temporal coordination. Secondly, both groups developed a significantly shorter mediolateral (ML) anticipatory postural adjustment duration in RT (high temporal pressure) than in SI. In both groups, this shortening was compensated by an increase in the anticipatory peak of centre-of-gravity (CoG) acceleration towards the stance-leg so that ML dynamic stability at foot-off, quantified with the “extrapolated centre-of-mass”, remained unchanged across temporal conditions. This increased CoG acceleration was associated with an increased anticipatory peak of ML centre-of-pressure shift towards the swing-leg in young adults only. This suggested that the ability to accelerate the CoG with the centre-of-pressure shift was degraded in elderly, probably due to weakness in the lower limb muscles. Dynamic stability at foot-off was also degraded in elderly, with a consequent increased risk of ML imbalance and falling. The present study provides new insights into the ability of elderly adults to

Age-related differences in motor coordination during simultaneous leg flexion and finger extension: influence of temporal pressure.

Directory of Open Access Journals (Sweden)

Tarek Hussein

Full Text Available Although the effect of temporal pressure on spatio-temporal aspects of motor coordination and posture is well established in young adults, there is a clear lack of data on elderly subjects. This work examined the aging-related effects of temporal pressure on movement synchronization and dynamic stability. Sixteen young and eleven elderly subjects performed series of simultaneous rapid leg flexions in an erect posture paired with ipsilateral index-finger extensions, minimizing the difference between heel and finger movement onsets. This task was repeated ten times under two temporal conditions (self-initiated [SI] vs. reaction-time [RT]. Results showed that, first, temporal pressure modified movement synchronization; the finger extension preceded swing heel-off in RT, and inversely in SI. Synchronization error and associated standard deviation were significantly greater in elderly than in young adults in SI only, i.e. in the condition where proprioception is thought to be crucial for temporal coordination. Secondly, both groups developed a significantly shorter mediolateral (ML anticipatory postural adjustment duration in RT (high temporal pressure than in SI. In both groups, this shortening was compensated by an increase in the anticipatory peak of centre-of-gravity (CoG acceleration towards the stance-leg so that ML dynamic stability at foot-off, quantified with the "extrapolated centre-of-mass", remained unchanged across temporal conditions. This increased CoG acceleration was associated with an increased anticipatory peak of ML centre-of-pressure shift towards the swing-leg in young adults only. This suggested that the ability to accelerate the CoG with the centre-of-pressure shift was degraded in elderly, probably due to weakness in the lower limb muscles. Dynamic stability at foot-off was also degraded in elderly, with a consequent increased risk of ML imbalance and falling. The present study provides new insights into the ability of

Age-related differences in motor coordination during simultaneous leg flexion and finger extension: influence of temporal pressure.

Science.gov (United States)

Hussein, Tarek; Yiou, Eric; Larue, Jacques

2013-01-01

Although the effect of temporal pressure on spatio-temporal aspects of motor coordination and posture is well established in young adults, there is a clear lack of data on elderly subjects. This work examined the aging-related effects of temporal pressure on movement synchronization and dynamic stability. Sixteen young and eleven elderly subjects performed series of simultaneous rapid leg flexions in an erect posture paired with ipsilateral index-finger extensions, minimizing the difference between heel and finger movement onsets. This task was repeated ten times under two temporal conditions (self-initiated [SI] vs. reaction-time [RT]). Results showed that, first, temporal pressure modified movement synchronization; the finger extension preceded swing heel-off in RT, and inversely in SI. Synchronization error and associated standard deviation were significantly greater in elderly than in young adults in SI only, i.e. in the condition where proprioception is thought to be crucial for temporal coordination. Secondly, both groups developed a significantly shorter mediolateral (ML) anticipatory postural adjustment duration in RT (high temporal pressure) than in SI. In both groups, this shortening was compensated by an increase in the anticipatory peak of centre-of-gravity (CoG) acceleration towards the stance-leg so that ML dynamic stability at foot-off, quantified with the "extrapolated centre-of-mass", remained unchanged across temporal conditions. This increased CoG acceleration was associated with an increased anticipatory peak of ML centre-of-pressure shift towards the swing-leg in young adults only. This suggested that the ability to accelerate the CoG with the centre-of-pressure shift was degraded in elderly, probably due to weakness in the lower limb muscles. Dynamic stability at foot-off was also degraded in elderly, with a consequent increased risk of ML imbalance and falling. The present study provides new insights into the ability of elderly adults to deal

Repairing the vibratory vocal fold.

Science.gov (United States)

Long, Jennifer L

2018-01-01

A vibratory vocal fold replacement would introduce a new treatment paradigm for structural vocal fold diseases such as scarring and lamina propria loss. This work implants a tissue-engineered replacement for vocal fold lamina propria and epithelium in rabbits and compares histology and function to injured controls and orthotopic transplants. Hypotheses were that the cell-based implant would engraft and control the wound response, reducing fibrosis and restoring vibration. Translational research. Rabbit adipose-derived mesenchymal stem cells (ASC) were embedded within a three-dimensional fibrin gel, forming the cell-based outer vocal fold replacement (COVR). Sixteen rabbits underwent unilateral resection of vocal fold epithelium and lamina propria, as well as reconstruction with one of three treatments: fibrin glue alone with healing by secondary intention, replantation of autologous resected vocal fold cover, or COVR implantation. After 4 weeks, larynges were examined histologically and with phonation. Fifteen rabbits survived. All tissues incorporated well after implantation. After 1 month, both graft types improved histology and vibration relative to injured controls. Extracellular matrix (ECM) of the replanted mucosa was disrupted, and ECM of the COVR implants remained immature. Immune reaction was evident when male cells were implanted into female rabbits. Best histologic and short-term vibratory outcomes were achieved with COVR implants containing male cells implanted into male rabbits. Vocal fold cover replacement with a stem cell-based tissue-engineered construct is feasible and beneficial in acute rabbit implantation. Wound-modifying behavior of the COVR implant is judged to be an important factor in preventing fibrosis. NA. Laryngoscope, 128:153-159, 2018. © 2017 The American Laryngological, Rhinological and Otological Society, Inc.

Sub-barrier fusion of Si+Si systems

Science.gov (United States)

Colucci, G.; Montagnoli, G.; Stefanini, A. M.; Bourgin, D.; Čolović, P.; Corradi, L.; Courtin, S.; Faggian, M.; Fioretto, E.; Galtarossa, F.; Goasduff, A.; Haas, F.; Mazzocco, M.; Scarlassara, F.; Stefanini, C.; Strano, E.; Urbani, M.; Szilner, S.; Zhang, G. L.

2017-11-01

The near- and sub-barrier fusion excitation function has been measured for the system 30Si+30Si at the Laboratori Nazionali di Legnaro of INFN, using the 30Si beam of the XTU Tandem accelerator in the energy range 47 - 90 MeV. A set-up based on a beam electrostatic deflector was used for detecting fusion evaporation residues. The measured cross sections have been compared to previous data on 28Si+28Si and Coupled Channels (CC) calculations have been performed using M3Y+repulsion and Woods-Saxon potentials, where the lowlying 2+ and 3- excitations have been included. A weak imaginary potential was found to be necessary to reproduce the low energy 28Si+28Si data. This probably simulates the effect of the oblate deformation of this nucleus. On the contrary, 30Si is a spherical nucleus, 30Si+30Si is nicely fit by CC calculations and no imaginary potential is needed. For this system, no maximum shows up for the astrophysical S-factor so that we have no evidence for hindrance, as confirmed by the comparison with CC calculations. The logarithmic derivative of the two symmetric systems highlights their different low energy trend. A difference can also be noted in the two barrier distributions, where the high-energy peak present in 28Si+28Si is not observed for 30Si+30Si, probably due to the weaker couplings in last case.

Sub-barrier fusion of Si+Si systems

Directory of Open Access Journals (Sweden)

Colucci G.

2017-01-01

Full Text Available The near- and sub-barrier fusion excitation function has been measured for the system 30Si+30Si at the Laboratori Nazionali di Legnaro of INFN, using the 30Si beam of the XTU Tandem accelerator in the energy range 47 - 90 MeV. A set-up based on a beam electrostatic deflector was used for detecting fusion evaporation residues. The measured cross sections have been compared to previous data on 28Si+28Si and Coupled Channels (CC calculations have been performed using M3Y+repulsion and Woods-Saxon potentials, where the lowlying 2+ and 3− excitations have been included. A weak imaginary potential was found to be necessary to reproduce the low energy 28Si+28Si data. This probably simulates the effect of the oblate deformation of this nucleus. On the contrary, 30Si is a spherical nucleus, 30Si+30Si is nicely fit by CC calculations and no imaginary potential is needed. For this system, no maximum shows up for the astrophysical S-factor so that we have no evidence for hindrance, as confirmed by the comparison with CC calculations. The logarithmic derivative of the two symmetric systems highlights their different low energy trend. A difference can also be noted in the two barrier distributions, where the high-energy peak present in 28Si+28Si is not observed for 30Si+30Si, probably due to the weaker couplings in last case.

Nitric acid oxidation of Si (NAOS) method for low temperature fabrication of SiO{sub 2}/Si and SiO{sub 2}/SiC structures

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, H., E-mail: koba771@ybb.ne.jp [Institute of Scientific and Industrial Research, Osaka University, and CREST, Japan Science and Technology Agency, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Imamura, K.; Kim, W.-B.; Im, S.-S.; Asuha [Institute of Scientific and Industrial Research, Osaka University, and CREST, Japan Science and Technology Agency, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan)

2010-07-15

We have developed low temperature formation methods of SiO{sub 2}/Si and SiO{sub 2}/SiC structures by use of nitric acid, i.e., nitric acid oxidation of Si (or SiC) (NAOS) methods. By use of the azeotropic NAOS method (i.e., immersion in 68 wt% HNO{sub 3} aqueous solutions at 120 deg. C), an ultrathin (i.e., 1.3-1.4 nm) SiO{sub 2} layer with a low leakage current density can be formed on Si. The leakage current density can be further decreased by post-metallization anneal (PMA) at 200 deg. C in hydrogen atmosphere, and consequently the leakage current density at the gate bias voltage of 1 V becomes 1/4-1/20 of that of an ultrathin (i.e., 1.5 nm) thermal oxide layer usually formed at temperatures between 800 and 900 deg. C. The low leakage current density is attributable to (i) low interface state density, (ii) low SiO{sub 2} gap-state density, and (iii) high band discontinuity energy at the SiO{sub 2}/Si interface arising from the high atomic density of the NAOS SiO{sub 2} layer. For the formation of a relatively thick (i.e., {>=}10 nm) SiO{sub 2} layer, we have developed the two-step NAOS method in which the initial and subsequent oxidation is performed by immersion in {approx}40 wt% HNO{sub 3} and azeotropic HNO{sub 3} aqueous solutions, respectively. In this case, the SiO{sub 2} formation rate does not depend on the Si surface orientation. Using the two-step NAOS method, a uniform thickness SiO{sub 2} layer can be formed even on the rough surface of poly-crystalline Si thin films. The atomic density of the two-step NAOS SiO{sub 2} layer is slightly higher than that for thermal oxide. When PMA at 250 deg. C in hydrogen is performed on the two-step NAOS SiO{sub 2} layer, the current-voltage and capacitance-voltage characteristics become as good as those for thermal oxide formed at 900 deg. C. A relatively thick (i.e., {>=}10 nm) SiO{sub 2} layer can also be formed on SiC at 120 deg. C by use of the two-step NAOS method. With no treatment before the NAOS method

Kinetic partitioning mechanism of HDV ribozyme folding

Energy Technology Data Exchange (ETDEWEB)

Chen, Jiawen; Gong, Sha; Wang, Yujie; Zhang, Wenbing, E-mail: wbzhang@whu.edu.cn [Department of Physics, Wuhan University, Wuhan, Hubei 430072 (China)

2014-01-14

RNA folding kinetics is directly tied to RNA biological functions. We introduce here a new approach for predicting the folding kinetics of RNA secondary structure with pseudoknots. This approach is based on our previous established helix-based method for predicting the folding kinetics of RNA secondary structure. In this approach, the transition rates for an elementary step: (1) formation, (2) disruption of a helix stem, and (3) helix formation with concomitant partial melting of an incompatible helix, are calculated with the free energy landscape. The folding kinetics of the Hepatitis delta virus (HDV) ribozyme and the mutated sequences are studied with this method. The folding pathways are identified by recursive searching the states with high net flux-in(out) population starting from the native state. The theory results are in good agreement with that of the experiments. The results indicate that the bi-phasic folding kinetics for the wt HDV sequence is ascribed to the kinetic partitioning mechanism: Part of the population will quickly fold to the native state along the fast pathway, while another part of the population will fold along the slow pathway, in which the population is trapped in a non-native state. Single mutation not only changes the folding rate but also the folding pathway.

Toluene and chlorobenzene dinitration over solid H3PO4/MoO3/SiO2 catalyst.

Science.gov (United States)

Adamiak, Joanna; Kalinowska-Alichnewicz, Dorota; Szadkowski, Michał; Skupiński, Wincenty

2011-11-15

A new catalyst, H(3)PO(4)/MoO(3)/SiO(2), was prepared by modification of MoO(3)/SiO(2) using phosphoric acid. The characterization of the catalyst was performed using Infrared and Raman Spectroscopy, potentiometric titration and nitrogen adsorption-desorption methods. Molybdenum oxides were identified along with phosphomolybdic acid and polymolybdates on the modified surface. The suitability of the catalysts for toluene and chlorobenzene nitration in continuous process was examined. Toluene is effectively nitrated to dinitrotoluene (DNT) in one-stage process (96 wt.% of DNT in the product) and in mild conditions i.e. at room temperature and only with ten-fold excess of nitric acid. In chlorobenzene nitration only twelve-fold excess of nitric acid is needed to obtain as high yield as 95 wt.%. Most importantly, the novel catalysts we have developed, provide the opportunity for sulfuric acid- free nitration of aromatic compounds. Copyright © 2011 Elsevier B.V. All rights reserved.

Microscopic analysis of alpha scattering from 28Si at 40 and 45 MeV

International Nuclear Information System (INIS)

Roy, S.; Dey, T.; Goswami, A.; Chintalapudi, S.N.; Banerjee, S.R.

1992-01-01

Angular distributions for the elastic and inelastic alpha scattering from 28 Si at E α =40 and 45 MeV are analyzed in the framework of microscopic folding model. Transition densities are calculated from improved s-d shell-model wave functions and are also compared with those extracted from inelastic electron scattering data. The density-dependent Jeukenne-Lejeune-Mahaux interaction is used, besides the M3Y interaction, in an attempt to fit the large-angle data. Fairly good agreement with the data is obtained. The extracted M n /M p value for the 2 + excited state of 28 Si also compares well with the shell-model prediction

Laryngeal ultrasound and vocal fold movement in the pediatric cardiovascular intensive care unit.

Science.gov (United States)

Ongkasuwan, Julina; Ocampo, Elena; Tran, Brandon

2017-01-01

Vocal fold motion impairment (VFMI) is a known sequela of cardiovascular surgery. The gold standard for the evaluation of vocal fold movement is flexible nasolaryngoscopy (FNL). Although safe, FNL does cause measurable physiologic changes. Noxious stimuli in cardiovascular intensive care unit (CVICU) neonates may cause imbalance between the pulmonary and systemic circulations and potentially circulatory collapse. The goals of this project were to determine the accuracy of laryngeal ultrasound (LUS) compared to FNL to identify VFMI in CVICU neonates and compare their physiologic impact. Case control. Prospective case-control study. Forty-six consecutive infants from the CVICU were recruited, 23 with VFMI and 23 without based on FNL findings. They then underwent LUS, which was subsequently reviewed by two pediatric radiologists blinded to the FNL results. Physiologic parameters were recorded before and after the procedures. Data analysis was performed with Cohen's kappa and Wilcoxon signed-rank test. Agreement between LUS and FNL was substantial (κ = 0.78). Laryngeal ultrasound had a sensitivity of 0.84 and specificity of 0.95 for identifying VFMI. In terms of physiologic impact, LUS caused statistically significantly less change in diastolic blood pressure (P = 0.01), pulse (P = 0.001), and O 2 saturation (P = 0.004) compared to FNL. Arytenoid rotation could be seen clearly, and the vocal fold-arytenoid angle in abduction was most predictive of symmetry and movement (P = 0.17). However, it was difficult to determine vocal fold closure patterns with LUS. Laryngeal ultrasound is a comparable to FNL for evaluating vocal fold mobility with less physiologic impact. 3b. Laryngoscope, 127:167-172, 2017. © 2016 The American Laryngological, Rhinological and Otological Society, Inc.

Joining of SiC ceramics and SiC/SiC composites

Energy Technology Data Exchange (ETDEWEB)

Rabin, B.H. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

1996-08-01

This project has successfully developed a practical and reliable method for fabricating SiC ceramic-ceramic joints. This joining method will permit the use of SiC-based ceramics in a variety of elevated temperature fossil energy applications. The technique is based on a reaction bonding approach that provides joint interlayers compatible with SiC, and excellent joint mechanical properties at temperatures exceeding 1000{degrees}C. Recent emphasis has been given to technology transfer activities, and several collaborative research efforts are in progress. Investigations are focusing on applying the joining method to sintered {alpha}-SiC and fiber-reinforced SiC/SiC composites for use in applications such as heat exchangers, radiant burners and gas turbine components.

Self-folding origami at any energy scale

Science.gov (United States)

Pinson, Matthew B.; Stern, Menachem; Carruthers Ferrero, Alexandra; Witten, Thomas A.; Chen, Elizabeth; Murugan, Arvind

2017-05-01

Programmable stiff sheets with a single low-energy folding motion have been sought in fields ranging from the ancient art of origami to modern meta-materials research. Despite such attention, only two extreme classes of crease patterns are usually studied; special Miura-Ori-based zero-energy patterns, in which crease folding requires no sheet bending, and random patterns with high-energy folding, in which the sheet bends as much as creases fold. We present a physical approach that allows systematic exploration of the entire space of crease patterns as a function of the folding energy. Consequently, we uncover statistical results in origami, finding the entropy of crease patterns of given folding energy. Notably, we identify three classes of Mountain-Valley choices that have widely varying `typical' folding energies. Our work opens up a wealth of experimentally relevant self-folding origami designs not reliant on Miura-Ori, the Kawasaki condition or any special symmetry in space.

Anatomy and Histology of an Epicanthal Fold.

Science.gov (United States)

Park, Jae Woo; Hwang, Kun

2016-06-01

The aim of this study is to elucidate the precise anatomical and histological detail of the epicanthal fold.Thirty-two hemifaces of 16 Korean adult cadavers were used in this study (30 hemifaces with an epicanthal fold, 2 without an epicanthal fold). In 2 patients who had an epicanthoplasty, the epicanthal folds were sampled.In a dissection, the periorbital skin and subcutaneous tissues were removed and the epicanthal fold was observed in relation to each part of the orbicularis oculi muscle. Specimens including the epicanthal fold were embeddedin in paraffin, sectioned at 10 um, and stained with Hematoxylin-Eosin. The horizontal section in the level of the paplebral fissure was made and the prepared slides were observed under a light microscope.In the specimens without an epicanthal fold, no connection between the upper preseptal muscle and the lower preseptal muscle was found. In the specimens with an epicanthal fold, a connection of the upper preseptal muscle to the lower preseptal muscle was observed. It was present in all 15 hemifaces (100%). There was no connection between the pretarsal muscles. In a horizontal section, the epicanthal fold was composed of 3 compartments: an outer skin lining, a core structure, and an innerskin lining. The core structure was mainly composed of muscular fibers and fibrotic tissue and they were intermingled.Surgeons should be aware of the anatomical details of an epicanthal fold. In removing or reconstructing an epicanthal fold, the fibromuscular core band should also be removed or reconstructed.

Small interfering RNA targeted to stem-loop II of the 5' untranslated region effectively inhibits expression of six HCV genotypes

Directory of Open Access Journals (Sweden)

Dash Srikanta

2006-11-01

Full Text Available Abstract Background The antiviral action of interferon alpha targets the 5' untranslated region (UTR used by hepatitis C virus (HCV to translate protein by an internal ribosome entry site (IRES mechanism. Although this sequence is highly conserved among different clinical strains, approximately half of chronically infected hepatitis C patients do not respond to interferon therapy. Therefore, development of small interfering RNA (siRNA targeted to the 5'UTR to inhibit IRES mediated translation may represent an alternative approach that could circumvent the problem of interferon resistance. Results Four different plasmid constructs were prepared for intracellular delivery of siRNAs targeting the stem loop II-III of HCV 5' UTR. The effect of siRNA production on IRES mediated translation was investigated using chimeric clones between the gene for green fluorescence protein (GFP and IRES sequences of six different HCV genotypes. The siRNA targeted to stem loop II effectively mediated degradation of HCV IRES mRNA and inhibited GFP expression in the case of six different HCV genotypes, where as siRNAs targeted to stem loop III did not. Furthermore, intracytoplasmic expression of siRNA into transfected Huh-7 cells efficiently degraded HCV genomic RNA and inhibited core protein expression from infectious full-length infectious clones HCV 1a and HCV 1b strains. Conclusion These in vitro studies suggest that siRNA targeted to stem-loop II is highly effective inhibiting IRES mediated translation of the major genotypes of HCV. Stem-loop II siRNA may be a good target for developing an intracellular immunization strategy based antiviral therapy to inhibit hepatitis C virus strains that are not inhibited by interferon.

The review on tessellation origami inspired folded structure

Science.gov (United States)

Chu, Chai Chen; Keong, Choong Kok

2017-10-01

Existence of folds enhances the load carrying capacity of a folded structure which makes it suitable to be used for application where large open space is required such as large span roof structures and façade. Folded structure is closely related to origami especially the tessellation origami. Tessellation origami provides a folded configuration with facetted surface as a result from repeated folding pattern. Besides that, tessellation origami has flexible folding mechanism that produced a variety of 3-dimensional folded configurations. Despite the direct relationship between fold in origami and folded structure, the idea of origami inspired folded structure is not properly reviewed in the relevant engineering field. Hence, this paper aims to present the current studies from related discipline which has direct relation with application of tessellation origami in folded structure. First, tessellation origami is properly introduced and defined. Then, the review covers the topic on the origami tessellation design suitable for folded structure, its modeling and simulation method, and existing studies and applications of origami as folded structure is presented. The paper also includes the discussion on the current issues related to each topic.

Fast identification of folded human protein domains expressed in E. coli suitable for structural analysis

Directory of Open Access Journals (Sweden)

Schlegel Brigitte

2004-03-01

Full Text Available Abstract Background High-throughput protein structure analysis of individual protein domains requires analysis of large numbers of expression clones to identify suitable constructs for structure determination. For this purpose, methods need to be implemented for fast and reliable screening of the expressed proteins as early as possible in the overall process from cloning to structure determination. Results 88 different E. coli expression constructs for 17 human protein domains were analysed using high-throughput cloning, purification and folding analysis to obtain candidates suitable for structural analysis. After 96 deep-well microplate expression and automated protein purification, protein domains were directly analysed using 1D 1H-NMR spectroscopy. In addition, analytical hydrophobic interaction chromatography (HIC was used to detect natively folded protein. With these two analytical methods, six constructs (representing two domains were quickly identified as being well folded and suitable for structural analysis. Conclusion The described approach facilitates high-throughput structural analysis. Clones expressing natively folded proteins suitable for NMR structure determination were quickly identified upon small scale expression screening using 1D 1H-NMR and/or analytical HIC. This procedure is especially effective as a fast and inexpensive screen for the 'low hanging fruits' in structural genomics.

Development of an International School Nurse Asthma Care Coordination Model

Science.gov (United States)

Garwick, Ann W.; Svavarsdóttir, Erla Kolbrun; Seppelt, Ann M.; Looman, Wendy S.; Anderson, Lori S.; Örlygsdóttir, Brynja

2015-01-01

Aim To identify and compare how school nurses in Reykjavik, Iceland and St. Paul, Minnesota coordinated care for youth with asthma (ages 10–18) and to develop an asthma school nurse care coordination model. Background Little is known about how school nurses coordinate care for youth with asthma in different countries. Design A qualitative descriptive study design using focus group data. Methods Six focus groups with 32 school nurses were conducted in Reykjavik (n=17) and St. Paul (n=15) using the same protocol between September 2008 – January 2009. Descriptive content analytic and constant comparison strategies were used to categorize and compare how school nurses coordinated care, which resulted in the development of an International School Nurse Asthma Care Coordination Model. Findings Participants in both countries spontaneously described a similar asthma care coordination process that involved information gathering, assessing risk for asthma episodes, prioritizing health care needs and anticipating and planning for student needs at the individual and school levels. This process informed how they individualized symptom management, case management and/or asthma education. School nurses played a pivotal part in collaborating with families, school and health care professionals to ensure quality care for youth with asthma. Conclusions Results indicate a high level of complexity in school nurses’ approaches to asthma care coordination that were responsive to the diverse and changing needs of students in school settings. The conceptual model derived provides a framework for investigators to use in examining the asthma care coordination process of school nurses in other geographic locations. PMID:25223389

Development of an International School Nurse Asthma Care Coordination Model.

Science.gov (United States)

Garwick, Ann W; Svavarsdóttir, Erla Kolbrun; Seppelt, Ann M; Looman, Wendy S; Anderson, Lori S; Örlygsdóttir, Brynja

2015-03-01

To identify and compare how school nurses in Reykjavik, Iceland and St. Paul, Minnesota coordinated care for youth with asthma (ages 10-18) and to develop an asthma school nurse care coordination model. Little is known about how school nurses coordinate care for youth with asthma in different countries. A qualitative descriptive study design using focus group data. Six focus groups with 32 school nurses were conducted in Reykjavik (n = 17) and St. Paul (n = 15) using the same protocol between September 2008 and January 2009. Descriptive content analytic and constant comparison strategies were used to categorize and compare how school nurses coordinated care, which resulted in the development of an International School Nurse Asthma Care Coordination Model. Participants in both countries spontaneously described a similar asthma care coordination process that involved information gathering, assessing risk for asthma episodes, prioritizing healthcare needs and anticipating and planning for student needs at the individual and school levels. This process informed how they individualized symptom management, case management and/or asthma education. School nurses played a pivotal part in collaborating with families, school and healthcare professionals to ensure quality care for youth with asthma. Results indicate a high level of complexity in school nurses' approaches to asthma care coordination that were responsive to the diverse and changing needs of students in school settings. The conceptual model derived provides a framework for investigators to use in examining the asthma care coordination process of school nurses in other geographic locations. © 2014 John Wiley & Sons Ltd.

Structural, optical and electrical properties of silicon nanocrystals embedded in SixC1−x/SiC multilayer systems for photovoltaic applications

International Nuclear Information System (INIS)

López-Vidrier, J.; Hernández, S.; Samà, J.; Canino, M.; Allegrezza, M.; Bellettato, M.; Shukla, R.; Schnabel, M.; Löper, P.; López-Conesa, L.; Estradé, S.; Peiró, F.; Janz, S.; Garrido, B.

2013-01-01

Highlights: ► We study the structural, optical and electrical properties of Si x C 1−x /SiC multilayers with different Si excess. ► Multilayer structure is destroyed after annealing at 1100 °C. ► Energy filtered TEM confirmed the Si NC formation. ► Sample thickness values from optical simulations are in agreement with TEM observations. ► The crystallization degree of the NCs was evaluated by Raman scattering and R and T techniques. ► The system conductivity depends on the NC size. ► The presence of a defective oxycarbide layer on top did not allow for obtaining useful electrical information. -- Abstract: In this work we present a structural, optical and electrical characterization of Si x C 1−x /SiC multilayer systems with different silicon content. After the deposition process, an annealing treatment was carried out in order to induce the silicon nanocrystals formation. By means of energy-filtered transmission electron microscopy (EFTEM) we observed the structural morphology of the multilayers and the presence of crystallized silicon nanoprecipitates for samples annealed up to 1100 °C. We discuss the suitability of optical techniques such as Raman scattering and reflectance and transmittance (R and T) for the evaluation of the crystalline fraction of our samples at different silicon excess ranges. In addition, the combination of R and T measurements with simulation has proved to be a useful instrument to confirm the structural properties observed by EFTEM. Finally, we explore the origin of the extremely high current density revealed by electrical measurements, probably due to the presence of an undesired defective SiC y O z ternary compound layer, already supported by the structural and optical results. Nevertheless, the variation of the electrical measurements with the silicon amount indicates a small but significant contribution from the multilayers

Coordination Environment of Copper Sites in Cu-CHA Zeolite Investigated by Electron Paramagnetic Resonance

DEFF Research Database (Denmark)

Godiksen, Anita; Stappen, Frederick N.; Vennestrøm, Peter N. R.

2014-01-01

Cu-CHA combines high activity for the selective catalytic reduction (SCR) reaction with better hydrothermal stability and selectivity compared to other copper-substituted zeolites. At the same time Cu-CHA offers an opportunity for unraveling the coordination environment of the copper centers since...... the zeolite framework is very simple with only one crystallographically independent tetrahedral site (T-site). In this study the results of an X-band electron paramagnetic resonance (EPR) investigation of ion-exchanged Cu-CHA zeolite with a Si/Al ratio of 14 ± 1 is presented. Different dehydration treatments...... of the EPR silent monomeric Cu2+ in copper-substituted zeolites is suggested to be copper species with an approximate trigonal coordination sphere appearing during the dehydration. After complete dehydration at 250 °C the majority of the EPR silent Cu2+ is suggested to exist as Cu2+–OH– coordinated to two...

Measurement of key resonances for the 24Al(p ,γ )25Si reaction rate using in-beam γ -ray spectroscopy

Science.gov (United States)

Longfellow, B.; Gade, A.; Brown, B. A.; Richter, W. A.; Bazin, D.; Bender, P. C.; Bowry, M.; Elman, B.; Lunderberg, E.; Weisshaar, D.; Williams, S. J.

2018-05-01

Energy levels and branching ratios for the rp-process nucleus 25Si were determined from the reactions 9Be(26Si,25Si)X and 9Be(25Al,25Si)X using in-beam γ -ray spectroscopy with both high-efficiency and high-resolution detector arrays. Proton-unbound states at 3695(14) and 3802(11) keV were identified and assigned tentative spins and parities based on comparison to theory and the mirror nucleus. The 24Al(p ,γ )25Si reaction rate was calculated using the experimental states and states from charge-dependent USDA and USDB shell-model calculations with downward shifts of the 1 s1 /2 proton orbital to account for the observed Thomas-Ehrman shift, leading to a factor of 10-100 increase in rate for the temperature region of 0.22 GK as compared to a previous calculation. These shifts may be applicable to neighboring nuclei, impacting the proton capture rates in this region of the chart.

Folding of non-Euclidean curved shells

Science.gov (United States)

Bende, Nakul; Evans, Arthur; Innes-Gold, Sarah; Marin, Luis; Cohen, Itai; Santangelo, Christian; Hayward, Ryan

2015-03-01

Origami-based folding of 2D sheets has been of recent interest for a variety of applications ranging from deployable structures to self-folding robots. Though folding of planar sheets follows well-established principles, folding of curved shells involves an added level of complexity due to the inherent influence of curvature on mechanics. In this study, we use principles from differential geometry and thin shell mechanics to establish fundamental rules that govern folding of prototypical creased shells. In particular, we show how the normal curvature of a crease line controls whether the deformation is smooth or discontinuous, and investigate the influence of shell thickness and boundary conditions. We show that snap-folding of shells provides a route to rapid actuation on time-scales dictated by the speed of sound. The simple geometric design principles developed can be applied at any length-scale, offering potential for bio-inspired soft actuators for tunable optics, microfluidics, and robotics. This work was funded by the National Science Foundation through EFRI ODISSEI-1240441 with additional support to S.I.-G. through the UMass MRSEC DMR-0820506 REU program.

Quality improvement of ZnO thin layers overgrown on Si(100 substrates at room temperature by nitridation pretreatment

Directory of Open Access Journals (Sweden)

Peng Wang

2012-06-01

Full Text Available To improve the quality of ZnO thin film overgrown on Si(100 substrate at RT (room temperature, the Si(100 surface was pretreated with different methods. The influence of interface on the overgrown ZnO layers was investigated by atomic force microscopy, photoluminescence and X-ray diffraction. We found that the nitridation pretreatment could significantly improve the quality of RT ZnO thin film through two-fold effects: one was to buffer the big lattice mismatch and ease the stress resulted from heterojunction growth; the other was to balance the interface charge, block the symmetric inheritance from the cubic Si (100 substrate and thus restrain the formation of zincblende phase.

Improving Protein Fold Recognition by Deep Learning Networks

Science.gov (United States)

Jo, Taeho; Hou, Jie; Eickholt, Jesse; Cheng, Jianlin

2015-12-01

For accurate recognition of protein folds, a deep learning network method (DN-Fold) was developed to predict if a given query-template protein pair belongs to the same structural fold. The input used stemmed from the protein sequence and structural features extracted from the protein pair. We evaluated the performance of DN-Fold along with 18 different methods on Lindahl’s benchmark dataset and on a large benchmark set extracted from SCOP 1.75 consisting of about one million protein pairs, at three different levels of fold recognition (i.e., protein family, superfamily, and fold) depending on the evolutionary distance between protein sequences. The correct recognition rate of ensembled DN-Fold for Top 1 predictions is 84.5%, 61.5%, and 33.6% and for Top 5 is 91.2%, 76.5%, and 60.7% at family, superfamily, and fold levels, respectively. We also evaluated the performance of single DN-Fold (DN-FoldS), which showed the comparable results at the level of family and superfamily, compared to ensemble DN-Fold. Finally, we extended the binary classification problem of fold recognition to real-value regression task, which also show a promising performance. DN-Fold is freely available through a web server at http://iris.rnet.missouri.edu/dnfold.

Improving Protein Fold Recognition by Deep Learning Networks.

Science.gov (United States)

Jo, Taeho; Hou, Jie; Eickholt, Jesse; Cheng, Jianlin

2015-12-04

For accurate recognition of protein folds, a deep learning network method (DN-Fold) was developed to predict if a given query-template protein pair belongs to the same structural fold. The input used stemmed from the protein sequence and structural features extracted from the protein pair. We evaluated the performance of DN-Fold along with 18 different methods on Lindahl's benchmark dataset and on a large benchmark set extracted from SCOP 1.75 consisting of about one million protein pairs, at three different levels of fold recognition (i.e., protein family, superfamily, and fold) depending on the evolutionary distance between protein sequences. The correct recognition rate of ensembled DN-Fold for Top 1 predictions is 84.5%, 61.5%, and 33.6% and for Top 5 is 91.2%, 76.5%, and 60.7% at family, superfamily, and fold levels, respectively. We also evaluated the performance of single DN-Fold (DN-FoldS), which showed the comparable results at the level of family and superfamily, compared to ensemble DN-Fold. Finally, we extended the binary classification problem of fold recognition to real-value regression task, which also show a promising performance. DN-Fold is freely available through a web server at http://iris.rnet.missouri.edu/dnfold.

Growth and structure of water on SiO2 films on Si investigated byKelvin probe microscopy and in situ X-ray Spectroscopies

Energy Technology Data Exchange (ETDEWEB)

Verdaguer, A.; Weis, C.; Oncins, G.; Ketteler, G.; Bluhm, H.; Salmeron, M.

2007-06-14

The growth of water on thin SiO{sub 2} films on Si wafers at vapor pressures between 1.5 and 4 torr and temperatures between -10 and 21 C has been studied in situ using Kelvin Probe Microscopy and X-ray photoemission and absorption spectroscopies. From 0 to 75% relative humidity (RH) water adsorbs forming a uniform film 4-5 layers thick. The surface potential increases in that RH range by about 400 mV and remains constant upon further increase of the RH. Above 75% RH the water film grows rapidly, reaching 6-7 monolayers at around 90% RH and forming a macroscopic drop near 100%. The O K-edge near-edge X-ray absorption spectrum around 75% RH is similar to that of liquid water (imperfect H-bonding coordination) at temperatures above 0 C and ice-like below 0 C.

Microstructure and Mechanical Property of SiCf/SiC and Cf/SiC Composites

International Nuclear Information System (INIS)

Lee, S P; Cho, K S; Lee, H U; Lee, J K; Bae, D S; Byun, J H

2011-01-01

The mechanical properties of SiC based composites reinforced with different types of fabrics have been investigated, in conjunction with the detailed analyses of their microstructures. The thermal shock properties of SiC f /SiC composites were also examined. All composites showed a dense morphology in the matrix region. Carbon coated PW-SiC f /SiC composites had a good fracture energy, even if their strength was lower than that of PW-C f /SiC composites. SiC f /SiC composites represented a great reduction of flexural strength at the thermal shock temperature difference of 300 deg. C.

Coordination-chemistry control of proton conductivity in the iconic metal-organic framework material HKUST-1.

Science.gov (United States)

Jeong, Nak Cheon; Samanta, Bappaditya; Lee, Chang Yeon; Farha, Omar K; Hupp, Joseph T

2012-01-11

HKUST-1, a metal-organic framework (MOF) material containing Cu(II)-paddlewheel-type nodes and 1,3,5-benzenetricarboxylate struts, features accessible Cu(II) sites to which solvent or other desired molecules can be intentionally coordinated. As part of a broader investigation of ionic conductivity in MOFs, we unexpectedly observed substantial proton conductivity with the "as synthesized" version of this material following sorption of methanol. Although HKUST-1 is neutral, coordinated water molecules are rendered sufficiently acidic by Cu(II) to contribute protons to pore-filling methanol molecules and thereby enhance the alternating-current conductivity. At ambient temperature, the chemical identities of the node-coordinated and pore-filling molecules can be independently varied, thus enabling the proton conductivity to be reversibly modulated. The proton conductivity of HKUST-1 was observed to increase by ~75-fold, for example, when node-coordinated acetonitrile molecules were replaced by water molecules. In contrast, the conductivity became almost immeasurably small when methanol was replaced by hexane as the pore-filling solvent. © 2011 American Chemical Society

Synovial folds in equine articular process joints

DEFF Research Database (Denmark)

Thomsen, Line Nymann; Berg, Lise Charlotte; Markussen, Bo

2013-01-01

Cervical synovial folds have been suggested as a potential cause of neck pain in humans. Little is known about the extent and characteristics of cervical synovial folds in horses.......Cervical synovial folds have been suggested as a potential cause of neck pain in humans. Little is known about the extent and characteristics of cervical synovial folds in horses....

CVD-Based Valence-Mending Passivation for Crystalline-Si Solar Cells

Energy Technology Data Exchange (ETDEWEB)

Tao, Meng [Arizona State Univ., Mesa, AZ (United States)

2015-03-01

ohm-cm, similar to that of screen-printed Ag. 3) Demonstration of two all-Al, Ag-free Si solar cells, with an electroplated Al front electrode and a screen-printed Al back electrode. One cell is an industrial p-type front-emitter cell, and the other is an n-type back-emitter cell. The efficiency of the p-type cell is close to 15%. This is an industrial cell and its efficiency is capped at ~18%. 4) Demonstration of grain boundary passivation by both hydrogen and sulfur using hydrogen sulfide (H2S). When the new grain boundary passivation is combined with Al2O3 surface passivation and post-annealing, the minority carrier lifetime in the p-type multicrystalline Si samples shows a significant improvement up to 68 fold. 5) In a side project, a simple green process is developed which is capable of recycling over 90% of the Si material in end-of-life crystalline-Si solar cells. The recycled Si meets the specifications for solar-grade Si and can be used as a new poly-Si feedstock for ingot growth.

Magnetron-sputter epitaxy of β-FeSi2(220)/Si(111) and β-FeSi2(431)/Si(001) thin films at elevated temperatures

International Nuclear Information System (INIS)

Liu Hongfei; Tan Chengcheh; Chi Dongzhi

2012-01-01

β-FeSi 2 thin films have been grown on Si(111) and Si(001) substrates by magnetron-sputter epitaxy at 700 °C. On Si(111), the growth is consistent with the commonly observed orientation of [001]β-FeSi 2 (220)//[1-10]Si(111) having three variants, in-plane rotated 120° with respect to one another. However, on Si(001), under the same growth conditions, the growth is dominated by [-111]β-FeSi 2 (431)//[110]Si(001) with four variants, which is hitherto unknown for growing β-FeSi 2 . Photoelectron spectra reveal negligible differences in the valance-band and Fe2p core-level between β-FeSi 2 grown on Si(111) and Si(001) but an apparent increased Si-oxidization on the surface of β-FeSi 2 /Si(001). This phenomenon is discussed and attributed to the Si-surface termination effect, which also suggests that the Si/Fe ratio on the surface of β-FeSi 2 (431)/Si(001) is larger than that on the surface of β-FeSi 2 (220)/Si(111).

DISCOVERY OF SiCSi IN IRC+10216: A MISSING LINK BETWEEN GAS AND DUST CARRIERS OF Si–C BONDS

Energy Technology Data Exchange (ETDEWEB)

Cernicharo, J.; Agúndez, M.; Prieto, L. Velilla; Quintana-Lacaci, G. [Group of Molecular Astrophysics, ICMM, CSIC, C/Sor Juana Inés de La Cruz N3, E-28049, Madrid (Spain); McCarthy, M. C.; Gottlieb, C. A.; Drumel, M. A. Martin-; Patel, N. A.; Reilly, N. J.; Young, K. H. [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138, and School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138 (United States); Baraban, J. H. [Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309 (United States); Changala, P. B. [JILA, National Institute of Standards and Technology and University of Colorado, and Department of Physics, University of Colorado, Boulder, CO 80309 (United States); Guélin, M. [Institut de Radioastronomie Millimétrique, 300 rue de la Piscine, F-38406 St-Martin d’Hères (France); Kahane, C. [Universit Grenoble Alpes, IPAG, F-38000 Grenoble (France); CNRS, IPAG, F-38000 Grenoble (France); Stanton, J. F. [Institute for Theoretical Chemistry, Department of Chemistry, The University of Texas at Austin, Austin, TX 78712 (United States); Thorwirth, S. [I. Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, D-50937 Köln (Germany)

2015-06-10

We report the discovery in space of a disilicon species, SiCSi, from observations between 80 and 350 GHz with the IRAM 30 m radio telescope. Owing to the close coordination between laboratory experiments and astrophysics, 112 lines have now been detected in the carbon-rich star CW Leo. The derived frequencies yield improved rotational and centrifugal distortion constants up to sixth order. From the line profiles and interferometric maps with the Submillimeter Array, the bulk of the SiCSi emission arises from a region of 6″ in radius. The derived abundance is comparable to that of SiC{sub 2}. As expected from chemical equilibrium calculations, SiCSi and SiC{sub 2} are the most abundant species harboring a Si−C bond in the dust formation zone and certainly both play a key role in the formation of SiC dust grains.

Coordinated HArd Sphere Model (CHASM): A Simplified Model for Silicate and Oxide Liquids at Mantle Conditions

Science.gov (United States)

Wolf, A. S.; Asimow, P. D.; Stevenson, D. J.

2013-12-01

Recent first-principles theoretical calculations (Stixrude 2009) and experimental shock-wave investigations (Mosenfelder 2009) indicate that melting perovskite requires significantly less energy than previously thought, supporting the idea of a deep-mantle magma ocean early in Earth's history. The modern-day solid Earth is thus likely the result of crystallization from an early predominantly molten state, a process that is primarily controlled by the poorly understood behavior of silicate melts at extreme pressures and temperatures. Probing liquid thermodynamics at mantle conditions is difficult for both theory and experiment, and further challenges are posed by the large relevant compositional space including at least MgO, SiO2, and FeO. First-principles molecular dynamics has been used with great success to determine the high P-T properties of a small set of fixed composition silicate-oxide liquids including MgO (Karki 2006), SiO2 (Karki 2007), Mg2SiO4 (de Koker 2008), MgSiO3 (Stixrude 2005), and Fe2SiO4 (Ramo 2012). While extremely powerful, this approach has limitations including high computational cost, lower bounds on temperature due to relaxation constraints, as well as restrictions to length scales and time scales that are many orders of magnitude smaller than those relevant to the Earth or experimental methods. As a compliment to accurate first-principles calculations, we have developed the Coordinated HArd Sphere Model (CHASM). We extend the standard hard sphere mixture model, recently applied to silicate liquids by Jing (2011), by accounting for the range of oxygen coordination states available to liquid cations. Utilizing approximate analytic expressions for the hard sphere model, the method can predict complex liquid structure and thermodynamics while remaining computationally efficient. Requiring only minutes on standard desktop computers rather than months on supercomputers, the CHASM approach is well-suited to providing an approximate thermodynamic

Structure and properties of alumino-boro-silicate glasses and melts

Science.gov (United States)

neuville, D. R.; Florian, P.; Cadars, S.; Massiot, D.

2012-12-01

The relationship between physical properties and structure of glasses and melts in the system MO-T2O3-SiO2 (with M= Na2, Ca and T= Al, B) are technologically and geologically important, in particular to understand the microscopic origin of the configurational thermodynamic properties. The connection of these network former is fundamental to understand the physical properties of magmatic liquids. The configurational properties of melts and glasses provide fundamental information needed to characterize magmatic processes. A principal difficulty, however is to link the "macroscopic" configurational entropy with the structure of melts. This has been done by combining viscometry with Raman and NMR spectroscopy studies. From the viscosity measurements at low and high temperatures, we have obtained the configurational entropy, Sconf (log η = Ae + Be/TSconf, were η is the viscosity, T the temperature and Ae, Be two constants). Silicon, aluminum, and boron are 3 network formers playing different role on the silicate network, whereas Si is the strongest network former in coordination 4, 5 or 6 as a function of T, P; Al can play different function as a network former in 4- or 5-fold coordination and probably as a network modifier in 6 fold coordination. Boron observed in 3 or 4 fold coordination is always a network former but for very "fragile" glasses. For the glass the Al/B substitution produce a small decrease of the molar volume while this substitution produced a strong decrease of viscosity and glass transition temperature while the fragility of the network is less affected by this chemical change. Raman spectra show significant change in the D1 and D2 bands. NMR spectroscopies show also significant change as a function of chemical change and temperature. All this observations will be discussed and interpreted in order to link microscopic versus macroscopic changes.

A new three-dimensional bis(benzimidazole)-based cadmium(II) coordination polymer

Science.gov (United States)

Hao, Shao Yun; Hou, Suo Xia; Hao, Zeng Chuan; Cui, Guang Hua

2018-01-01

A new coordination polymer (CP), formulated as [Cd(L)(DCTP)]n (1) (L = 1,1‧-(1,4-butanediyl)bis(2-methylbenzimidazole), H2DCTP = 2,5-dichloroterephthalic acid), was synthesized under hydrothermal conditions and the performance as luminescent probe was also investigated. Single-crystal X-ray diffraction reveals CP 1 is a 3D 3-fold interpenetrated dia network with large well-defined pores. It is found that CP 1 revealed highly sensitive luminescence sensing for Fe3 + ions in acetonitrile solution with a high quenching efficiency of KSV = 2541.238 L·mol- 1 and a low detection limit of 3.2 μM (S/N = 3). Moreover, the photocatalytic efficiency of 1 for degradation of methylene blue could reach 82.8% after 135 min. Therefore, this coordination polymer could be viewed as multifunctional material for selectively sensing Fe3 + ions and effectively degrading dyes.

Dynamics of Folds in the Plane

Science.gov (United States)

Krylov, Nikolai A.; Rogers, Edwin L.

2011-01-01

Take a strip of paper and fold a crease intersecting the long edges, creating two angles. Choose one edge and consider the angle with the crease. Fold the opposite edge along the crease, creating a new crease that bisects the angle. Fold again, this time using the newly created crease and the initial edge, creating a new angle along the chosen…

Switching Investigations on a SiC MOSFET in a TO-247 Package

DEFF Research Database (Denmark)

Anthon, Alexander; Hernandez Botella, Juan Carlos; Zhang, Zhe

2014-01-01

This paper deals with the switching behavior of a SiC MOSFET in a TO-247 package. Based on simulations, critical parasitic inductances in the circuit layout are analyzed and their effect on the switching losses highlighted. Especially the common source inductance, a critical parameter in a TO-247...... package, has a major influence on the switching energy. Crucial design guidelines for an improved double pulse test circuit are introduced which are used for practical investigations on the switching behavior. Switching energies of a SiC MOSFET in a TO-247 package is measured depending on varying gate...... resistance and loop inductances. With total switching energy of 340.24 μJ, the SiC MOSFET has more than six times lower switching losses than a regular Si IGBT. Implementing the SiC switches in a 3 kW T-Type inverter topology, efficiency improvements of 0.8 % are achieved and maximum efficiency of 97...

Toluene and chlorobenzene dinitration over solid H{sub 3}PO{sub 4}/MoO{sub 3}/SiO{sub 2} catalyst

Energy Technology Data Exchange (ETDEWEB)

Adamiak, Joanna, E-mail: jadamiak@ch.pw.edu.pl [Warsaw University of Technology, Faculty of Chemistry, Division of High Energetic Materials, Noakowskiego 3, 00-664 Warsaw (Poland); Kalinowska-Alichnewicz, Dorota; Szadkowski, Michal; Skupinski, Wincenty [Warsaw University of Technology, Faculty of Chemistry, Division of High Energetic Materials, Noakowskiego 3, 00-664 Warsaw (Poland)

2011-11-15

Highlights: {yields} A novel catalyst H{sub 3}PO{sub 4}/MoO{sub 3}/SiO{sub 2} was characterized and used in nitration. {yields} On the surface domains of phosphomolybdic acid (HPM) are obtained. {yields} Dinitrotoluene is obtained with very high yield i.e. 96 wt.% in mild conditions. {yields} Dinitrochlorobenzene is obtained with only twelve-fold excess of nitric acid. {yields} It is sulfuric acid free and solvent free nitration of aromatic compounds. - Abstract: A new catalyst, H{sub 3}PO{sub 4}/MoO{sub 3}/SiO{sub 2}, was prepared by modification of MoO{sub 3}/SiO{sub 2} using phosphoric acid. The characterization of the catalyst was performed using Infrared and Raman Spectroscopy, potentiometric titration and nitrogen adsorption-desorption methods. Molybdenum oxides were identified along with phosphomolybdic acid and polymolybdates on the modified surface. The suitability of the catalysts for toluene and chlorobenzene nitration in continuous process was examined. Toluene is effectively nitrated to dinitrotoluene (DNT) in one-stage process (96 wt.% of DNT in the product) and in mild conditions i.e. at room temperature and only with ten-fold excess of nitric acid. In chlorobenzene nitration only twelve-fold excess of nitric acid is needed to obtain as high yield as 95 wt.%. Most importantly, the novel catalysts we have developed, provide the opportunity for sulfuric acid- free nitration of aromatic compounds.

Teaching computers to fold proteins

DEFF Research Database (Denmark)

Winther, Ole; Krogh, Anders Stærmose

2004-01-01

A new general algorithm for optimization of potential functions for protein folding is introduced. It is based upon gradient optimization of the thermodynamic stability of native folds of a training set of proteins with known structure. The iterative update rule contains two thermodynamic averages...

Origami-Inspired Folding of Thick, Rigid Panels

Science.gov (United States)

Trease, Brian P.; Thomson, Mark W.; Sigel, Deborah A.; Walkemeyer, Phillip E.; Zirbel, Shannon; Howell, Larry; Lang, Robert

2014-01-01

To achieve power of 250 kW or greater, a large compression ratio of stowed-to-deployed area is needed. Origami folding patterns were used to inspire the folding of a solar array to achieve synchronous deployment; however, origami models are generally created for near-zero-thickness material. Panel thickness is one of the main challenges of origami-inspired design. Three origami-inspired folding techniques (flasher, square twist, and map fold) were created with rigid panels and hinges. Hinge components are added to the model to enable folding of thick, rigid materials. Origami models are created assuming zero (or near zero) thickness. When a material with finite thickness is used, the panels are required to bend around an increasingly thick fold as they move away from the center of the model. The two approaches for dealing with material thickness are to use membrane hinges to connect the panels, or to add panel hinges, or hinges of the same thickness, at an appropriate width to enable folding.

Crystal structure and defects of Zr4Co4Si7( V-phase) investigated by high resolution transmission electron microscope

International Nuclear Information System (INIS)

Mao, J.F.; Ye, H.Q.; Ning, X.G.; He, L.L.; Yang, D.Z.

1997-01-01

The results of high resolution transmission electron microscope (HRTEM) observation and image simulation show that Zr 4 Co 4 Si 7 possesses the same structure type of Zr 4 Co 4 Ge 7 . Adding of Fe or Ni into the Zr 4 Co 4 Si 7 compound, except that the dimensions changed slightly, does not change the lattice type and coordination in the crystal structure, maintaining the V-phase structure. Also, twins with coherent boundaries and with partially coherent at interfaces are observed. The image conditions of Zr 4 Co 4 Si 7 and the structure differences between Zr 4 Co 4 Si 7 and tetrahedral close-packed phases are also discussed. copyright 1997 Materials Research Society

SiC Nanoparticles Toughened-SiC/MoSi2-SiC Multilayer Functionally Graded Oxidation Protective Coating for Carbon Materials at High Temperatures

Science.gov (United States)

Abdollahi, Alireza; Ehsani, Naser; Valefi, Zia; Khalifesoltani, Ali

2017-05-01

A SiC nanoparticle toughened-SiC/MoSi2-SiC functionally graded oxidation protective coating on graphite was prepared by reactive melt infiltration (RMI) at 1773 and 1873 K under argon atmosphere. The phase composition and anti-oxidation behavior of the coatings were investigated. The results show that the coating was composed of MoSi2, α-SiC and β-SiC. By the variations of Gibbs free energy (calculated by HSC Chemistry 6.0 software), it could be suggested that the SiC coating formed at low temperatures by solution-reprecipitation mechanism and at high temperatures by gas-phase reactions and solution-reprecipitation mechanisms simultaneously. SiC nanoparticles could improve the oxidation resistance of SiC/MoSi2-SiC multiphase coating. Addition of SiC nanoparticles increases toughness of the coating and prevents spreading of the oxygen diffusion channels in the coating during the oxidation test. The mass loss and oxidation rate of the SiC nanoparticle toughened-SiC/MoSi2-SiC-coated sample after 10-h oxidation at 1773 K were only 1.76% and 0.32 × 10-2 g/cm3/h, respectively.

Reliability implications of defects in high temperature annealed Si/SiO2/Si structures

International Nuclear Information System (INIS)

Warren, W.L.; Fleetwood, D.M.; Shaneyfelt, M.R.; Winokur, P.S.; Devine, R.A.B.; Mathiot, D.; Wilson, I.H.; Xu, J.B.

1994-01-01

High-temperature post-oxidation annealing of poly-Si/SiO 2 /Si structures such as metal-oxide-semiconductor capacitors and metal-oxide-semiconductor field effect transistors is known to result in enhanced radiation sensitivity, increased 1/f noise, and low field breakdown. The authors have studied the origins of these effects from a spectroscopic standpoint using electron paramagnetic resonance (EPR) and atomic force microscopy. One result of high temperature annealing is the generation of three types of paramagnetic defect centers, two of which are associated with the oxide close to the Si/SiO 2 interface (oxygen-vacancy centers) and the third with the bulk Si substrate (oxygen-related donors). In all three cases, the origin of the defects may be attributed to out-diffusion of O from the SiO 2 network into the Si substrate with associated reduction of the oxide. The authors present a straightforward model for the interfacial region which assumes the driving force for O out-diffusion is the chemical potential difference of the O in the two phases (SiO 2 and the Si substrate). Experimental evidence is provided to show that enhanced hole trapping and interface-trap and border-trap generation in irradiated high-temperature annealed Si/SiO 2 /Si systems are all related either directly, or indirectly, to the presence of oxygen vacancies

Vocal fold hemorrhage: factors predicting recurrence.

Science.gov (United States)

Lennon, Christen J; Murry, Thomas; Sulica, Lucian

2014-01-01

Vocal fold hemorrhage is an acute phonotraumatic injury treated with voice rest; recurrence is a generally accepted indication for surgical intervention. This study aims to identify factors predictive of recurrence based on outcomes of a large clinical series. Retrospective cohort. Retrospective review of cases of vocal fold hemorrhage presenting to a university laryngology service. Demographic information was compiled. Videostroboscopic exams were evaluated for hemorrhage extent, presence of varix, mucosal lesion, and/or vocal fold paresis. Vocal fold hemorrhage recurrence was the main outcome measure. Follow-up telephone survey was used to complement clinical data. Forty-seven instances of vocal fold hemorrhage were evaluated (25M:22F; 32 professional voice users). Twelve of the 47 (26%) patients experienced recurrence. Only the presence of varix demonstrated significant association with recurrence (P = 0.0089) on multivariate logistic regression. Vocal fold hemorrhage recurred in approximately 26% of patients. Varix was a predictor of recurrence, with 48% of those with varix experiencing recurrence. Monitoring, behavioral management and/or surgical intervention may be indicated to treat patients with such characteristics. © 2013 The American Laryngological, Rhinological and Otological Society, Inc.

Folding very short peptides using molecular dynamics.

Directory of Open Access Journals (Sweden)

Bosco K Ho

2006-04-01

Full Text Available Peptides often have conformational preferences. We simulated 133 peptide 8-mer fragments from six different proteins, sampled by replica-exchange molecular dynamics using Amber7 with a GB/SA (generalized-Born/solvent-accessible electrostatic approximation to water implicit solvent. We found that 85 of the peptides have no preferred structure, while 48 of them converge to a preferred structure. In 85% of the converged cases (41 peptides, the structures found by the simulations bear some resemblance to their native structures, based on a coarse-grained backbone description. In particular, all seven of the beta hairpins in the native structures contain a fragment in the turn that is highly structured. In the eight cases where the bioinformatics-based I-sites library picks out native-like structures, the present simulations are largely in agreement. Such physics-based modeling may be useful for identifying early nuclei in folding kinetics and for assisting in protein-structure prediction methods that utilize the assembly of peptide fragments.

Geometric U-folds in four dimensions

Science.gov (United States)

Lazaroiu, C. I.; Shahbazi, C. S.

2018-01-01

We describe a general construction of geometric U-folds compatible with a non-trivial extension of the global formulation of four-dimensional extended supergravity on a differentiable spin manifold. The topology of geometric U-folds depends on certain flat fiber bundles which encode how supergravity fields are globally glued together. We show that smooth non-trivial U-folds of this type can exist only in theories where both the scalar and space-time manifolds have non-trivial fundamental group and in addition the scalar map of the solution is homotopically non-trivial. Consistency with string theory requires smooth geometric U-folds to be glued using subgroups of the effective discrete U-duality group, implying that the fundamental group of the scalar manifold of such solutions must be a subgroup of the latter. We construct simple examples of geometric U-folds in a generalization of the axion-dilaton model of \

Guiding the folding pathway of DNA origami.

Science.gov (United States)

Dunn, Katherine E; Dannenberg, Frits; Ouldridge, Thomas E; Kwiatkowska, Marta; Turberfield, Andrew J; Bath, Jonathan

2015-09-03

DNA origami is a robust assembly technique that folds a single-stranded DNA template into a target structure by annealing it with hundreds of short 'staple' strands. Its guiding design principle is that the target structure is the single most stable configuration. The folding transition is cooperative and, as in the case of proteins, is governed by information encoded in the polymer sequence. A typical origami folds primarily into the desired shape, but misfolded structures can kinetically trap the system and reduce the yield. Although adjusting assembly conditions or following empirical design rules can improve yield, well-folded origami often need to be separated from misfolded structures. The problem could in principle be avoided if assembly pathway and kinetics were fully understood and then rationally optimized. To this end, here we present a DNA origami system with the unusual property of being able to form a small set of distinguishable and well-folded shapes that represent discrete and approximately degenerate energy minima in a vast folding landscape, thus allowing us to probe the assembly process. The obtained high yield of well-folded origami structures confirms the existence of efficient folding pathways, while the shape distribution provides information about individual trajectories through the folding landscape. We find that, similarly to protein folding, the assembly of DNA origami is highly cooperative; that reversible bond formation is important in recovering from transient misfoldings; and that the early formation of long-range connections can very effectively enforce particular folds. We use these insights to inform the design of the system so as to steer assembly towards desired structures. Expanding the rational design process to include the assembly pathway should thus enable more reproducible synthesis, particularly when targeting more complex structures. We anticipate that this expansion will be essential if DNA origami is to continue its

Fabrication and Mechanical Properties of SiCw(p/SiC-Si Composites by Liquid Si Infiltration using Pyrolysed Rice Husks and SiC Powders as Precursors

Directory of Open Access Journals (Sweden)

Dan Zhu

2014-03-01

Full Text Available Dense silicon carbide (SiC matrix composites with SiC whiskers and particles as reinforcement were prepared by infiltrating molten Si at 1550 °C into porous preforms composed of pyrolysed rice husks (RHs and extra added SiC powder in different ratios. The Vickers hardness of the composites showed an increase from 18.6 to 21.3 GPa when the amount of SiC added in the preforms was 20% (w/w, and then decreased to 17.3 GPa with the increase of SiC added in the preforms up to 80% (w/w. The values of flexural strength of the composites initially decreased when 20% (w/w SiC was added in the preform and then increased to 587 MPa when the SiC concentration reached 80% (w/w. The refinement of SiC particle sizes and the improvement of the microstructure in particle distribution of the composites due to the addition of external SiC played an effective role in improving the mechanical properties of the composites.

Self-folding graphene-polymer bilayers

Energy Technology Data Exchange (ETDEWEB)

Deng, Tao [Institute of Microelectronics, Tsinghua University, Beijing 100084 (China); Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Yoon, ChangKyu [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Jin, Qianru [Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Mingen [Department of Physics, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Liu, Zewen [Institute of Microelectronics, Tsinghua University, Beijing 100084 (China); Gracias, David H., E-mail: dgracias@jhu.edu [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States)

2015-05-18

In order to incorporate the extraordinary intrinsic thermal, electrical, mechanical, and optical properties of graphene with three dimensional (3D) flexible substrates, we introduce a solvent-driven self-folding approach using graphene-polymer bilayers. A polymer (SU-8) film was spin coated atop chemically vapor deposited graphene films on wafer substrates and graphene-polymer bilayers were patterned with or without metal electrodes using photolithography, thin film deposition, and etching. After patterning, the bilayers were released from the substrates and they self-folded to form fully integrated, curved, and folded structures. In contrast to planar graphene sensors on rigid substrates, we assembled curved and folded sensors that are flexible and they feature smaller form factors due to their 3D geometry and large surface areas due to their multiple rolled architectures. We believe that this approach could be used to assemble a range of high performance 3D electronic and optical devices of relevance to sensing, diagnostics, wearables, and energy harvesting.

Oscillations in the fusion of the Si + Si systems; Oscilaciones en la fusion de sistemas de Si + Si

Energy Technology Data Exchange (ETDEWEB)

Aguilera R, E F; Kolata, J J; DeYoung, P A; Vega, J J [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico)

1986-02-15

Excitation functions for the yields of all the residual nuclei from the {sup 28} Si + {sup 28,30} and {sup 30} Si + {sup 30} Si reactions have been measured via the {gamma}-ray technique for center of mass energies in the region within one and two times the Coulomb barrier.Thirteen elements were identified for the first reaction and ten for the other two. While no structure is shown by the data for the {sup 28} + {sup 28} Si reaction, we have found evidence for intermediate width structure in the 2{alpha} and the {alpha}pn channels in {sup 28} Si + {sup 30} Si and for broad structure in the total fusion cross sections for {sup 30} Si + {sup 30} Si. Calculations using a barrier penetration model with one free parameter reproduce the experimental results quite well. Evaporation model calculations indicate that the individual structure of the nuclei involved in the respective decay chains might have an important influence upon the deexcitation process at the energies relevant to our experiments. (Author)

How old is your fold?

NARCIS (Netherlands)

Winstanley, Henry F.; Abeln, Sanne; Deane, Charlotte M.

Motivation: At present there exists no age estimate for the different protein structures found in nature. It has become clear from occurrence studies that different folds arose at different points in evolutionary time. An estimation of the age of different folds would be a starting point for many

Integration and Continuity of Primary Care: Polyclinics and Alternatives, a Patient-Centred Analysis of How Organisation Constrains Care Coordination

OpenAIRE

Sheaff, WR; Halliday, J; Øvretveit, J; Byng, R; Exworthy, M; Peckham, S; Asthana, S

2015-01-01

Background\\ud An ageing population, the increasing specialisation of clinical services and diverse health-care provider ownership make the co-ordination and continuity of complex care increasingly problematic. The way in which the provision of complex health care is co-ordinated produces – or fails to produce – six forms of continuity of care (cross-sectional, longitudinal, flexible, access, informational and relational). Care co-ordination is accomplished by a combination of activities by pa...

Analyses of the As doping of SiO{sub 2}/Si/SiO{sub 2} nanostructures

Energy Technology Data Exchange (ETDEWEB)

Ruffino, Francesco; Miritello, Maria [CNR-IMM MATIS, via S. Sofia 64, 95123 Catania (Italy); Tomasello, Mario Vincenzo [Scuola Superiore di Catania, via San Nullo 5/i, 95123 Catania (Italy); De Bastiani, Riccardo; Grimaldi, Maria Grazia [Dipartimento di Fisica ed Astronomia, Universita di Catania, via S. Sofia 64, 95123 Catania (Italy); CNR-IMM MATIS, via S. Sofia 64, 95123 Catania (Italy); Nicotra, Giuseppe; Spinella, Corrado [Consiglio Nazionale delle Ricerche-Istituto per la Microelettronica e Microsistemi (CNR-IMM), VIII Strada 5, 95121 Catania (Italy)

2011-03-15

We illustrate the behaviour of As when it is confined, by the implantation technique, in a SiO{sub 2}(70nm)/Si(30nm)/SiO{sub 2}(70nm) multilayer and its spatial redistribution when annealing processes are performed. By Rutherford backscattering spectrometry and Z-contrast transmission electron microscopy we found an As accumulation at the Si/SiO{sub 2} interfaces and at the Si grain boundaries with no segregation of the As in the Si layer. Such an effect is in agreement with a model that assumes a traps distribution in the Si in the first 2-3 nm above the SiO{sub 2}/Si interfaces and along the Si grain boundaries. The traps concentration at the Si/SiO{sub 2} interfaces was estimated in 10{sup 14} traps/cm{sup 2}. The outlined results can open perspectives on the doping properties of As in Si nanocrystals, whose applications in nanoelectronics and optoelectronics are widely investigated (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Muscular anatomy of the human ventricular folds.

Science.gov (United States)

Moon, Jerald; Alipour, Fariborz

2013-09-01

Our purpose in this study was to better understand the muscular anatomy of the ventricular folds in order to help improve biomechanical modeling of phonation and to better understand the role of these muscles during phonatory and nonphonatory tasks. Four human larynges were decalcified, sectioned coronally from posterior to anterior by a CryoJane tape transfer system, and stained with Masson's trichrome. The total and relative areas of muscles observed in each section were calculated and used for characterizing the muscle distribution within the ventricular folds. The ventricular folds contained anteriorly coursing thyroarytenoid and ventricularis muscle fibers that were in the lower half of the ventricular fold posteriorly, and some ventricularis muscle was evident in the upper and lateral portions of the fold more anteriorly. Very little muscle tissue was observed in the medial half of the fold, and the anterior half of the ventricular fold was largely devoid of any muscle tissue. All 4 larynges contained muscle bundles that coursed superiorly and medially through the upper half of the fold, toward the lateral margin of the epiglottis. Although variability of expression was evident, a well-defined thyroarytenoid muscle was readily apparent lateral to the arytenoid cartilage in all specimens.

Exact folded-band chaotic oscillator.

Science.gov (United States)

Corron, Ned J; Blakely, Jonathan N

2012-06-01

An exactly solvable chaotic oscillator with folded-band dynamics is shown. The oscillator is a hybrid dynamical system containing a linear ordinary differential equation and a nonlinear switching condition. Bounded oscillations are provably chaotic, and successive waveform maxima yield a one-dimensional piecewise-linear return map with segments of both positive and negative slopes. Continuous-time dynamics exhibit a folded-band topology similar to Rössler's oscillator. An exact solution is written as a linear convolution of a fixed basis pulse and a discrete binary sequence, from which an equivalent symbolic dynamics is obtained. The folded-band topology is shown to be dependent on the symbol grammar.

Nanocrystalline Si pathway induced unipolar resistive switching behavior from annealed Si-rich SiN{sub x}/SiN{sub y} multilayers

Energy Technology Data Exchange (ETDEWEB)

Jiang, Xiaofan; Ma, Zhongyuan, E-mail: zyma@nju.edu.cn; Yang, Huafeng; Yu, Jie; Wang, Wen; Zhang, Wenping; Li, Wei; Xu, Jun; Xu, Ling; Chen, Kunji; Huang, Xinfan; Feng, Duan [National Laboratory of Solid State Microstructures, Jiangsu Provincial Key Laboratory of Photonic Electronic Materials Sciences and Technology, School of Electronic Science and Engineering, Nanjing University, Nanjing 210093 (China)

2014-09-28

Adding a resistive switching functionality to a silicon microelectronic chip is a new challenge in materials research. Here, we demonstrate that unipolar and electrode-independent resistive switching effects can be realized in the annealed Si-rich SiN{sub x}/SiN{sub y} multilayers with high on/off ratio of 10{sup 9}. High resolution transmission electron microscopy reveals that for the high resistance state broken pathways composed of discrete nanocrystalline silicon (nc-Si) exist in the Si nitride multilayers. While for the low resistance state the discrete nc-Si regions is connected, forming continuous nc-Si pathways. Based on the analysis of the temperature dependent I-V characteristics and HRTEM photos, we found that the break-and-bridge evolution of nc-Si pathway is the origin of resistive switching memory behavior. Our findings provide insights into the mechanism of the resistive switching behavior in nc-Si films, opening a way for it to be utilized as a material in Si-based memories.

IAEA/SiP senior managers workshop on international promotion of safety culture for the NPPs with RBMK reactors. Working material

International Nuclear Information System (INIS)

1996-01-01

The IAEA/SiP Senior Managers Workshop on International Promotion of Safety Culture for the NPPs with RMBK reactors was organized in the frame of the IAEA Technical Cooperation Regional Project RER/9/035 and the IAEA Extrabudgetary Project on WWER and RBMK Safety in co-operation with Swedish International Project Nuclear Safety (SiP). It took place at the Forsmark NPP, Sweden, from 1 to 4 October 1996. The objectives of the workshop were to provide a forum for senior managers to exchange national and international experience on factors influencing safety culture, to better understand these factors and to further enhance promotion of safety culture. Twenty-three specialists participated in the workshop from six countries (Canada, Lithuania, Russian Federation, Sweden, Ukraine and USA) and from two international organizations (WANO, EC-G24 coordination). Participants were from regulatory bodies, ministries and operational organizations of respective countries. The INSAG-4 definition of safety culture was taken as a starting point for the discussions, but at the start of the workshop participants did not seem to have the same understanding of what is contained in the safety culture context. Specifically the difference between measures taken to improve safety and establishing a proper safety culture level was discussed with useful results. Some participants proposed quantitative safety culture indicators, but there was no agreement at this stage about how to define them. Refs

IAEA/SiP senior managers workshop on international promotion of safety culture for the NPPs with RBMK reactors. Working material

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

The IAEA/SiP Senior Managers Workshop on International Promotion of Safety Culture for the NPPs with RMBK reactors was organized in the frame of the IAEA Technical Cooperation Regional Project RER/9/035 and the IAEA Extrabudgetary Project on WWER and RBMK Safety in co-operation with Swedish International Project Nuclear Safety (SiP). It took place at the Forsmark NPP, Sweden, from 1 to 4 October 1996. The objectives of the workshop were to provide a forum for senior managers to exchange national and international experience on factors influencing safety culture, to better understand these factors and to further enhance promotion of safety culture. Twenty-three specialists participated in the workshop from six countries (Canada, Lithuania, Russian Federation, Sweden, Ukraine and USA) and from two international organizations (WANO, EC-G24 coordination). Participants were from regulatory bodies, ministries and operational organizations of respective countries. The INSAG-4 definition of safety culture was taken as a starting point for the discussions, but at the start of the workshop participants did not seem to have the same understanding of what is contained in the safety culture context. Specifically the difference between measures taken to improve safety and establishing a proper safety culture level was discussed with useful results. Some participants proposed quantitative safety culture indicators, but there was no agreement at this stage about how to define them. Refs.

Vocal fold paresis - a debilitating and underdiagnosed condition.

Science.gov (United States)

Harris, G; O'Meara, C; Pemberton, C; Rough, J; Darveniza, P; Tisch, S; Cole, I

2017-07-01

To review the clinical signs of vocal fold paresis on laryngeal videostroboscopy, to quantify its impact on patients' quality of life and to confirm the benefit of laryngeal electromyography in its diagnosis. Twenty-nine vocal fold paresis patients were referred for laryngeal electromyography. Voice Handicap Index 10 results were compared to 43 patients diagnosed with vocal fold paralysis. Laryngeal videostroboscopy analysis was conducted to determine side of paresis. Blinded laryngeal electromyography confirmed vocal fold paresis in 92.6 per cent of cases, with vocal fold lag being the most common diagnostic sign. The laryngology team accurately predicted side of paresis in 76 per cent of cases. Total Voice Handicap Index 10 responses were not significantly different between vocal fold paralysis and vocal fold paresis groups (26.08 ± 0.21 and 22.93 ± 0.17, respectively). Vocal fold paresis has a significant impact on quality of life. This study shows that laryngeal electromyography is an important diagnostic tool. Patients with persisting dysphonia and apparently normal vocal fold movement, who fail to respond to appropriate speech therapy, should be investigated for a diagnosis of vocal fold paresis.

Circumferential skin folds in a child: A case of Michelin tire baby syndrome

Directory of Open Access Journals (Sweden)

Palit Aparna

2007-01-01

Full Text Available A six-month-old girl who presented with dermatitis was found to have multiple, symmetric, deep, gyrate skin folds involving her trunk and similar circumferential lesions on her extremities since birth. She had a characteristic round face with hypertelorism, depressed nasal bridge, thin, down-turned vermillion border of upper lip and short neck. Skin biopsy demonstrated increased smooth muscle fibers in the deeper dermis. A diagnosis of Michelin tire baby syndrome was made. Clinical features, histopathology, differential diagnosis and prognosis of this rare disorder have been discussed.

Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.

Science.gov (United States)

Zhou, Rui; Maisuradze, Gia G; Suñol, David; Todorovski, Toni; Macias, Maria J; Xiao, Yi; Scheraga, Harold A; Czaplewski, Cezary; Liwo, Adam

2014-12-23

To demonstrate the utility of the coarse-grained united-residue (UNRES) force field to compare experimental and computed kinetic data for folding proteins, we have performed long-time millisecond-timescale canonical Langevin molecular dynamics simulations of the triple β-strand from the Formin binding protein 28 WW domain and six nonnatural variants, using UNRES. The results have been compared with available experimental data in both a qualitative and a quantitative manner. Complexities of the folding pathways, which cannot be determined experimentally, were revealed. The folding mechanisms obtained from the simulated folding kinetics are in agreement with experimental results, with a few discrepancies for which we have accounted. The origins of single- and double-exponential kinetics and their correlations with two- and three-state folding scenarios are shown to be related to the relative barrier heights between the various states. The rate constants obtained from time profiles of the fractions of the native, intermediate, and unfolded structures, and the kinetic equations fitted to them, correlate with the experimental values; however, they are about three orders of magnitude larger than the experimental ones for most of the systems. These differences are in agreement with the timescale extension derived by scaling down the friction of water and averaging out the fast degrees of freedom when passing from all-atom to a coarse-grained representation. Our results indicate that the UNRES force field can provide accurate predictions of folding kinetics of these WW domains, often used as models for the study of the mechanisms of proein folding.

Adaptive Origami for Efficiently Folded Structures

Science.gov (United States)

2016-02-01

heating. Although a large fold angle at a high temperature is desirable in order to extrapolate the origami geometry toward closure, more emphasis is...AFRL-RQ-WP-TR-2016-0020 ADAPTIVE ORIGAMI FOR EFFICIENTLY FOLDED STRUCTURES James J. Joo and Greg Reich Design and Analysis Branch... ORIGAMI FOR EFFICIENTLY FOLDED STRUCTURES 5a. CONTRACT NUMBER In-house 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 61102F 6. AUTHOR(S) James J

Vocal fold paralysis secondary to phonotrauma.

Science.gov (United States)

Klein, Travis A L; Gaziano, Joy E; Ridley, Marion B

2014-01-01

A unique case of acute onset vocal fold paralysis secondary to phonotrauma is presented. The cause was forceful vocalization by a drill instructor on a firearm range. Imaging studies revealed extensive intralaryngeal and retropharyngeal hemorrhage. Laryngoscopy showed a complete left vocal fold paralysis. Relative voice rest was recommended, and the patient regained normal vocal fold mobility and function after approximately 12 weeks. Copyright © 2014 The Voice Foundation. All rights reserved.

100-fold but not 50-fold dystrophin overexpression aggravates electrocardiographic defects in the mdx model of Duchenne muscular dystrophy

Directory of Open Access Journals (Sweden)

Yongping Yue

2016-01-01

Full Text Available Dystrophin gene replacement holds the promise of treating Duchenne muscular dystrophy. Supraphysiological expression is a concern for all gene therapy studies. In the case of Duchenne muscular dystrophy, Chamberlain and colleagues found that 50-fold overexpression did not cause deleterious side effect in skeletal muscle. To determine whether excessive dystrophin expression in the heart is safe, we studied two lines of transgenic mdx mice that selectively expressed a therapeutic minidystrophin gene in the heart at 50-fold and 100-fold of the normal levels. In the line with 50-fold overexpression, minidystrophin showed sarcolemmal localization and electrocardiogram abnormalities were corrected. However, in the line with 100-fold overexpression, we not only detected sarcolemmal minidystrophin expression but also observed accumulation of minidystrophin vesicles in the sarcoplasm. Excessive minidystrophin expression did not correct tachycardia, a characteristic feature of Duchenne muscular dystrophy. Importantly, several electrocardiogram parameters (QT interval, QRS duration and the cardiomyopathy index became worse than that of mdx mice. Our data suggests that the mouse heart can tolerate 50-fold minidystrophin overexpression, but 100-fold overexpression leads to cardiac toxicity.

Synthesis, characterisation and anion exchange properties of copper, magnesium, zinc and nickel hydroxy nitrates

Science.gov (United States)

Biswick, Timothy; Jones, William; Pacuła, Aleksandra; Serwicka, Ewa

2006-01-01

Anion exchange reactions of four structurally related hydroxy salts, Cu 2(OH) 3NO 3, Mg 2(OH) 3NO 3, Ni 2(OH) 3NO 3 and Zn 3(OH) 4(NO 3) 2 are compared and trends rationalised in terms of the strength of the covalent bond between the nitrate group and the matrix cation. Powder X-ray diffraction (PXRD), Fourier-transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA) and elemental analysis are used to characterise the materials. Replacement of the nitrate anions in the zinc and copper salts with benzoate anions is possible although exchange of the zinc salt is accompanied by modification of the layer structure from one where zinc is exclusively six-fold coordinated to a structure where there is both six- and four-fold zinc coordination. Magnesium and nickel hydroxy nitrates, on the other hand, hydrolyse to their respective metal hydroxides.

Strained Si/SiGe MOS transistor model

Directory of Open Access Journals (Sweden)

Tatjana Pešić-Brđanin

2009-06-01

Full Text Available In this paper we describe a new model of surfacechannel strained-Si/SiGe MOSFET based on the extension of non-quasi-static (NQS circuit model previously derived for bulk-Si devices. Basic equations of the NQS model have been modified to account for the new physical parameters of strained-Si and relaxed-SiGe layers. From the comparisons with measurements, it is shown that a modified NQS MOS including steady-state self heating can accurately predict DC characteristics of Strained Silicon MOSFETs.

Effect of hydrogen on passivation quality of SiNx/Si-rich SiNx stacked layers deposited by catalytic chemical vapor deposition on c-Si wafers

International Nuclear Information System (INIS)

Thi, Trinh Cham; Koyama, Koichi; Ohdaira, Keisuke; Matsumura, Hideki

2015-01-01

We investigate the role of hydrogen content and fixed charges of catalytic chemical vapor deposited (Cat-CVD) SiN x /Si-rich SiN x stacked layers on the quality of crystalline silicon (c-Si) surface passivation. Calculated density of fixed charges is on the order of 10 12 cm −2 , which is high enough for effective field effect passivation. Hydrogen content in the films is also found to contribute significantly to improvement in passivation quality of the stacked layers. Furthermore, Si-rich SiN x films deposited with H 2 dilution show better passivation quality of SiN x /Si-rich SiN x stacked layers than those prepared without H 2 dilution. Effective minority carrier lifetime (τ eff ) in c-Si passivated by SiN x /Si-rich SiN x stacked layers is as high as 5.1 ms when H 2 is added during Si-rich SiN x deposition, which is much higher than the case of using Si-rich SiN x films prepared without H 2 dilution showing τ eff of 3.3 ms. - Highlights: • Passivation mechanism of Si-rich SiN x /SiN x stacked layers is investigated. • H atoms play important role in passivation quality of the stacked layer. • Addition of H 2 gas during Si-rich SiN x film deposition greatly enhances effective minority carrier lifetime (τ eff ). • For a Si-rich SiN x film with refractive index of 2.92, τ eff improves from 3.3 to 5.1 ms by H 2 addition

Plants for the Swedish change to SI units in radiology

International Nuclear Information System (INIS)

Bengtsson, G.

1977-04-01

In the years from about 1975 to 1985, a universal adjustment will be made to the international system of units, SI, at least concerning several units used in radiology (Liden 1976). The Swedish authorities have deemed it necessary that the change be coordinated within the country as much as possible, mainly on grounds relating to the safety of patients subjected to radiological procedures. The change will take place around 1 January, 1979. This report descibes briefly the administrative planning behind the change.(author)

U-Mo/Al-Si interaction: Influence of Si concentration

International Nuclear Information System (INIS)

Allenou, J.; Palancher, H.; Iltis, X.; Cornen, M.; Tougait, O.; Tucoulou, R.; Welcomme, E.; Martin, Ph.; Valot, C.; Charollais, F.; Anselmet, M.C.; Lemoine, P.

2010-01-01

Within the framework of the development of low enriched nuclear fuels for research reactors, U-Mo/Al is the most promising option that has however to be optimised. Indeed at the U-Mo/Al interfaces between U-Mo particles and the Al matrix, an interaction layer grows under irradiation inducing an unacceptable fuel swelling. Adding silicon in limited content into the Al matrix has clearly improved the in-pile fuel behaviour. This breakthrough is attributed to an U-Mo/Al-Si protective layer around U-Mo particles appeared during fuel manufacturing. In this work, the evolution of the microstructure and composition of this protective layer with increasing Si concentrations in the Al matrix has been investigated. Conclusions are based on the characterization at the micrometer scale (X-ray diffraction and energy dispersive spectroscopy) of U-Mo7/Al-Si diffusion couples obtained by thermal annealing at 450 deg. C. Two types of interaction layers have been evidenced depending on the Si content in the Al-Si alloy: the threshold value is found at about 5 wt.% but obviously evolves with temperature. It has been shown that for Si concentrations ranging from 2 to 10 wt.%, the U-Mo7/Al-Si interaction is bi-layered and the Si-rich part is located close to the Al-Si for low Si concentrations (below 5 wt.%) and close to the U-Mo for higher Si concentrations. For Si weight fraction in the Al alloy lower than 5 wt.%, the Si-rich sub-layer (close to Al-Si) consists of U(Al, Si) 3 + UMo 2 Al 20 , when the other sub-layer (close to U-Mo) is silicon free and made of UAl 3 and U 6 Mo 4 Al 43 . For Si weight concentrations above 5 wt.%, the Si-rich part becomes U 3 (Si, Al) 5 + U(Al, Si) 3 (close to U-Mo) and the other sub-layer (close to Al-Si) consists of U(Al, Si) 3 + UMo 2 Al 20 . On the basis of these results and of a literature survey, a scheme is proposed to explain the formation of different types of ILs between U-Mo and Al-Si alloys (i.e. different protective layers).

Sarcoidosis Presenting as Bilateral Vocal Fold Immobility.

Science.gov (United States)

Hintze, Justin M; Gnagi, Sharon H; Lott, David G

2018-05-01

Bilateral true vocal fold paralysis is rarely attributable to inflammatory diseases. Sarcoidosis is a rare but important etiology of bilateral true vocal fold paralysis by compressive lymphadenopathy, granulomatous infiltration, and neural involvement. We describe the first reported case of sarcoidosis presenting as bilateral vocal fold immobility caused by direct fixation by granulomatous infiltration severe enough to necessitate tracheostomy insertion. In addition, we discuss the presentation, the pathophysiology, and the treatment of this disease with a review of the literature of previously reported cases of sarcoidosis-related vocal fold immobility. Sarcoidosis should therefore be an important consideration for the otolaryngologist's differential diagnosis of true vocal fold immobility. Copyright © 2018 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Synthesis and photoluminescence properties of CaSixOy:Tb3+ phosphors prepared using solution-combustion method

CSIR Research Space (South Africa)

Dejene, FB

2011-07-01

Full Text Available Effect of Tb3+ ion concentrations on the structural and persistence luminescence properties of CaSixOy:Tb3+ crystals were evaluated using powders grown by the solution combustion technique. The XRD study indicates the change of phase from CaSiO3...

Porous SiC/SiC composites development for industrial application

International Nuclear Information System (INIS)

Maeta, S.; Hinoki, T.

2014-01-01

Silicon carbide (SiC) is promising structural materials in nuclear fields due to an excellent irradiation resistance and low activation characteristics. Conventional SiC fibers reinforced SiC matrix (SiC/SiC composites) fabricated by liquid phase sintering (LPS-SiC/SiC composites) have been required high cost and long processing time. And microstructure and mechanical property data of finally obtained LPS-SiC/SiC composites are easily scattered, because quality of the composites depend on personal skill. Thus, conventional LPS-SiC/SiC composites are inadequate for industrial use. In order to overcome these issues, the novel “porous SiC/SiC composites” have been developed by means of liquid phase sintering fabrication process. The composites consist of porous SiC matrix and SiC fibers without conventional carbon interfacial layer. The composites don’t have concerns of the degradation interfacial layer at the severe accident. Porous SiC/SiC composites preform was prepared with a thin sheet shape of SiC, sintering additives and carbon powder mixture by tape casting process which was adopted because of productive and high yielding rate fabrication process. The preform was stacked with SiC fibers and sintered in hot-press at the high temperature in argon environment. The sintered preform was decarburized obtain porous matrix structure by heat-treatment in air. Moreover, mechanical property data scattering of the obtained porous SiC/SiC composites decreased. In the flexural test, the porous SiC/SiC composites showed pseudo-ductile behavior with sufficient strength even after heat treatment at high temperature in air. From these conclusions, it was proven that porous SiC/SiC composites were reliable material at severe environment such as high temperature in air, by introducing tape casting fabrication process that could produce reproducible materials with low cost and simple way. Therefore development of porous SiC/SiC composites for industrial application was

Extreme Mechanics: Self-Folding Origami

Science.gov (United States)

Santangelo, Christian D.

2017-03-01

Origami has emerged as a tool for designing three-dimensional structures from flat films. Because they can be fabricated by lithographic or roll-to-roll processing techniques, they have great potential for the manufacture of complicated geometries and devices. This article discusses the mechanics of origami and kirigami with a view toward understanding how to design self-folding origami structures. Whether an origami structure can be made to fold autonomously depends strongly on the geometry and kinematics of the origami fold pattern. This article collects some of the results on origami rigidity into a single framework, and discusses how these aspects affect the foldability of origami. Despite recent progress, most problems in origami and origami design remain completely open.

Poly(2-hydroxyethyl methacrylate) grafted halloysite nanotubes as a molecular host matrix for luminescent ions prepared by surface-initiated RAFT polymerization and coordination chemistry

Energy Technology Data Exchange (ETDEWEB)

Islam, Md. Rafiqul; Bach, Long Giang; Lim, Kwon Taek, E-mail: ktlim@pknu.ac.kr

2013-07-01

A fluorescent nanohybrid complex comprising of halloysite nanotubes (HNTs), poly(2-hydroxyethyl methacrylate) (PHEMA), and europium ions (Eu{sup 3+}) was synthesized by the combination of surface-initiated reversible addition-fragmentation chain transfer (SI-RAFT) polymerization and coordination chemistry. Initially, PHEMA was grafted from the HNTs by SI-RAFT and then reacted with succinic anhydride to provide carboxyl acid groups on the external layers of HNTs-g-PHEMA nanohybrids. The subsequent coordination of the nanohybrids with Eu{sup 3+} ions afforded photoluminescent Eu{sup 3+} tagged HNTs-g-PHEMA nanohybrid complexes (HNTs-g-PHEMA-Eu{sup 3+}). The structure, morphology, and fluorescence properties of the Eu{sup 3+} coordinated nanohybrid complexes were investigated by respective physical and spectral studies. FT-IR, XPS, and EDS analyses suggested the formation of the HNTs-g-PHEMA-Eu{sup 3+} nanohybrids. FE-SEM images indicated the immobilization of polymer layers on HNTs. TGA scans further demonstrated the grafting of PHEMA onto HNTs surface. The optical properties of HNTs-g-PHEMA-Eu{sup 3+} nanohybrid complexes were investigated by photoluminescence spectroscopy.

Biomorphous SiSiC/Al-Si ceramic composites manufactured by squeeze casting: microstructure and mechanical properties

Energy Technology Data Exchange (ETDEWEB)

Zollfrank, C.; Travitzky, N.; Sieber, H.; Greil, P. [Department of Materials Science, Glass and Ceramics, University of Erlangen-Nuernberg (Germany); Selchert, T. [Advanced Ceramics Group, Technical University of Hamburg-Harburg (Germany)

2005-08-01

SiSiC/Al-Si composites were fabricated by pressure-assisted infiltration of an Al-Si alloy into porous biocarbon preforms derived from the rattan palm. Al-Si alloy was found in the pore channels of the biomorphous SiSiC preform, whereas SiC and carbon were present in the struts. The formation of a detrimental Al{sub 4}C{sub 3}-phase was not observed in the composites. A bending strength of 200 MPa was measured. The fractured surfaces showed pull-out of the Al-alloy. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

Localized surface plasmon enhanced deep UV-emitting of AlGaN based multi-quantum wells by Al nanoparticles on SiO2 dielectric interlayer

Science.gov (United States)

He, Ju; Wang, Shuai; Chen, Jingwen; Wu, Feng; Dai, Jiangnan; Long, Hanling; Zhang, Yi; Zhang, Wei; Feng, Zhe Chuan; Zhang, Jun; Du, Shida; Ye, Lei; Chen, Changqing

2018-05-01

In this paper, we report a 2.6-fold deep ultraviolet emission enhancement of integrated photoluminescence (PL) intensity in AlGaN-based multi-quantum wells (MQWs) by introducing the coupling of local surface plasmons from Al nanoparticles (NPs) on a SiO2 dielectric interlayer with excitons and photons in MQWs at room temperature. In comparison to bare AlGaN MQWs, a significant 2.3-fold enhancement of the internal quantum efficiency, from 16% to 37%, as well as a 13% enhancement of photon extraction efficiency have been observed in the MQWs decorated with Al NPs on SiO2 dielectric interlayer. Polarization-dependent PL measurement showed that both the transverse electric and transverse magnetic mode were stronger than the original intensity in bare AlGaN MQWs, indicating a strong LSPs coupling process and vigorous scattering ability of the Al/SiO2 composite structure. These results were confirmed by the activation energy of non-radiative recombination from temperature-dependent PL measurement and the theoretical three dimensional finite difference time domain calculations.

Reaction mechanisms at 4H-SiC/SiO2 interface during wet SiC oxidation

Science.gov (United States)

Akiyama, Toru; Hori, Shinsuke; Nakamura, Kohji; Ito, Tomonori; Kageshima, Hiroyuki; Uematsu, Masashi; Shiraishi, Kenji

2018-04-01

The reaction processes at the interface between SiC with 4H structure (4H-SiC) and SiO2 during wet oxidation are investigated by electronic structure calculations within the density functional theory. Our calculations for 4H-SiC/SiO2 interfaces with various orientations demonstrate characteristic features of the reaction depending on the crystal orientation of SiC: On the Si-face, the H2O molecule is stable in SiO2 and hardly reacts with the SiC substrate, while the O atom of H2O can form Si-O bonds at the C-face interface. Two OH groups are found to be at least necessary for forming new Si-O bonds at the Si-face interface, indicating that the oxidation rate on the Si-face is very low compared with that on the C-face. On the other hand, both the H2O molecule and the OH group are incorporated into the C-face interface, and the energy barrier for OH is similar to that for H2O. By comparing the calculated energy barriers for these reactants with the activation energies of oxide growth rate, we suggest the orientation-dependent rate-limiting processes during wet SiC oxidation.

Total Ionizing Dose Effects of Si Vertical Diffused MOSFET with SiO2 and Si3N4/SiO2 Gate Dielectrics

Directory of Open Access Journals (Sweden)

Jiongjiong Mo

2017-01-01

Full Text Available The total ionizing dose irradiation effects are investigated in Si vertical diffused MOSFETs (VDMOSs with different gate dielectrics including single SiO2 layer and double Si3N4/SiO2 layer. Radiation-induced holes trapping is greater for single SiO2 layer than for double Si3N4/SiO2 layer. Dielectric oxidation temperature dependent TID effects are also studied. Holes trapping induced negative threshold voltage shift is smaller for SiO2 at lower oxidation temperature. Gate bias during irradiation leads to different VTH shift for different gate dielectrics. Single SiO2 layer shows the worst negative VTH at VG=0 V, while double Si3N4/SiO2 shows negative VTH shift at VG=-5 V, positive VTH shift at VG=10 V, and negligible VTH shift at VG=0 V.

Multi-crease Self-folding by Global Heating.

Science.gov (United States)

Miyashita, Shuhei; Onal, Cagdas D; Rus, Daniela

2015-01-01

This study demonstrates a new approach to autonomous folding for the body of a 3D robot from a 2D sheet, using heat. We approach this challenge by folding a 0.27-mm sheetlike material into a structure. We utilize the thermal deformation of a contractive sheet sandwiched by rigid structural layers. During this baking process, the heat applied on the entire sheet induces contraction of the contracting layer and thus forms an instructed bend in the sheet. To attain the targeted folding angles, the V-fold spans method is used. The targeted angle θout can be kinematically encoded into crease geometry. The realization of this angle in the folded structure can be approximately controlled by a contraction angle θin. The process is non-reversible, is reliable, and is relatively fast. Our method can be applied simultaneously to all the folds in multi-crease origami structures. We demonstrate the use of this method to create a lightweight mobile robot.

Effects of Jae-Seng Acupuncture Treatment on the Improvement of Nasolabial Folds and Eye Wrinkles

Directory of Open Access Journals (Sweden)

Jin Hyong Cho

2015-01-01

Full Text Available The microneedle therapy system (MTS, a mechanical method involving making minute multiple holes in the skin, reportedly improves skin condition, such as by reducing flushing and melanin. A newly attempted bloodletting therapy, Jae-Seng Acupuncture, has several advantages over traditional mechanical punching methods because it allows the practitioner to regulate the depth and direction of needle stimulations and to choose whether to stimulate the muscle layers. This study was conducted to determine the efficacy of Jae-Seng Acupuncture in the treatment of nasolabial folds and eye wrinkles. The nasolabial folds and eye wrinkles of 107 patients ranging in age from their 20s to their 70s were subjected to DermaVision, a digital skin image analyzer, before the treatment and one to six months after treatment. Additionally, stimulation of the meridians, such as Taeyang, Tongjaryo, Chongmyong, Sungup, Sabaek, Yonghyang, Chichang, Taeyong, was performed to improve the function of the stomach, large intestine. Analyses of the images indicate that Jae-Seng Acupuncture improved nasolabial folds and eye wrinkles, suggesting that this technique is a safe and effective method for the improvement of facial skin conditions.

Nanocatalytic growth of Si nanowires from Ni silicate coated SiC nanoparticles on Si solar cell.

Science.gov (United States)

Parida, Bhaskar; Choi, Jaeho; Ji, Hyung Yong; Park, Seungil; Lim, Gyoungho; Kim, Keunjoo

2013-09-01

We investigated the nanocatalytic growth of Si nanowires on the microtextured surface of crystalline Si solar cell. 3C-SiC nanoparticles have been used as the base for formation of Ni silicate layer in a catalytic reaction with the Si melt under H2 atmosphere at an annealing temperature of 1100 degrees C. The 10-nm thick Ni film was deposited after the SiC nanoparticles were coated on the microtextured surface of the Si solar cell by electron-beam evaporation. SiC nanoparticles form a eutectic alloy surface of Ni silicate and provide the base for Si supersaturation as well as the Ni-Si alloy layer on Si substrate surface. This bottom reaction mode for the solid-liquid-solid growth mechanism using a SiC nanoparticle base provides more stable growth of nanowires than the top reaction mode growth mechanism in the absence of SiC nanoparticles. Thermally excited Ni nanoparticle forms the eutectic alloy and provides collectively excited electrons at the alloy surface, which reduces the activation energy of the nanocatalytic reaction for formation of nanowires.

Poisson Coordinates.

Science.gov (United States)

Li, Xian-Ying; Hu, Shi-Min

2013-02-01

Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

Oxide Structure Dependence of SiO2/SiOx/3C-SiC/n-Type Si Nonvolatile Resistive Memory on Memory Operation Characteristics

Science.gov (United States)

Yamaguchi, Yuichiro; Shouji, Masatsugu; Suda, Yoshiyuki

2012-11-01

We have investigated the dependence of the oxide layer structure of our previously proposed metal/SiO2/SiOx/3C-SiC/n-Si/metal metal-insulator-semiconductor (MIS) resistive memory device on the memory operation characteristics. The current-voltage (I-V) measurement and X-ray photoemission spectroscopy results suggest that SiOx defect states mainly caused by the oxidation of 3C-SiC at temperatures below 1000 °C are related to the hysteresis memory behavior in the I-V curve. By restricting the SiOx interface region, the number of switching cycles and the on/off current ratio are more enhanced. Compared with a memory device formed by one-step or two-step oxidation of 3C-SiC, a memory device formed by one-step oxidation of Si/3C-SiC exhibits a more restrictive SiOx interface with a more definitive SiO2 layer and higher memory performances for both the endurance switching cycle and on/off current ratio.

Two structure types based on Si6O15 rings: synthesis and structural and spectroscopic characterisation of Cs1.86K1.14DySi6O15 and Cs1.6K1.4SmSi6O15

International Nuclear Information System (INIS)

Wierzbicka-Wieczorek, Maria; Goeckeritz, Martin; Kolitsch, Uwe; Lenz, Christoph; Giester, Gerald

2015-01-01

The silicate Cs 1.86 K 1.14 DySi 6 O 15 represents a mixed tetrahedral-octahedral framework structure type based on roughly circular Si 6 O 15 rings and isolated DyO 6 octahedra. The silicate Cs 1.6 K 1.4 SmSi 6 O 15 has a layered atomic arrangement built from corrugated Si 6 O 15 layers containing four-, six- and eight-membered rings. The layers are connected by isolated SmO 6 octahedra to form a mixed tetrahedral-octahedral framework. This structure shows a close structural relationship to β-K 3 NdSi 6 O 15 and a less close one to dehydrated elpidite (Na 2 ZrSi 6 O 15 ). In both structures, Cs/K atoms occupy large voids. The silicates were obtained through high-temperature flux syntheses. Their crystal structures have been determined from single-crystal X-ray diffraction data. Cs 1.86 K 1.14 DySi 6 O 15 crystallises in R32 (no. 155) with a = 13.896(2), c = 35.623(7) Aa and V = 5957.2(17) Aa 3 , whereas Cs 1.6 K 1.4 SmSi 6 O 15 crystallises in Cmca (no. 64) with a = 14.474(3), b = 14.718(3), c = 15.231(3) Aa and V = 3244.7(11) Aa 3 . The Dy 3+ and Sm 3+ cations present in the silicates cause PL emission bands in the visible yellow-to-orange spectral range. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

[Clinical analysis of vocal fold firbrous mass].

Science.gov (United States)

Chen, Hao; Sun, Jing Wu; Wan, Guang Lun; Hu, Yan Ming

2018-03-01

To explore the character of laryngoscopy finding, voice, and therapy of vocal fold fibrous mass. Clinical data, morphology, voice character, surgery and pathology of 15 cases with vocal fold fibrous mass were analyzed. The morbidity of vocal fold fibrous mass might be related to overuse of voice and laryngopharyngeal reflex. Laryngoscopy revealed shuttle line appearance, smoothness and decreased mucosal wave of vocal fold. These patients were invalid for voice training and might be improved by surgery, but recovery is slow. The morbidity of vocal fold fibrous mass might be related to overuse of voice and laryngopharyngeal reflex. Conservative treatment is ineffective for this disease, and surgery might improve. Copyright© by the Editorial Department of Journal of Clinical Otorhinolaryngology Head and Neck Surgery.

Interfacial characterization of CVI-SiC/SiC composites

International Nuclear Information System (INIS)

Yang, W.; Kohyama, A.; Noda, T.; Katoh, Y.; Hinoki, T.; Araki, H.; Yu, J.

2002-01-01

The mechanical properties of the interfaces of two families of chemical vapor infiltration SiC/SiC composites, advanced Tyranno-SA and Hi-Nicalon fibers reinforced SiC/SiC composites with various carbon and SiC/C interlayers, were investigated by single fiber push-out/push-back tests. Interfacial debonding and fibers sliding mainly occurred adjacent to the first carbon layer on the fibers. The interfacial debonding strengths and frictional stresses for both Tyranno-SA/SiC and Hi-Nicalon/SiC composites were correlated with the first carbon layer thickness. Tyranno-SA/SiC composites exhibited much larger interfacial frictional stresses compared to Hi-Nicalon/SiC composites. This was assumed to be mainly contributed by the rather rough surface of the Tyranno-SA fiber

Research on a Micro-Nano Si/SiGe/Si Double Heterojunction Electro-Optic Modulation Structure

Directory of Open Access Journals (Sweden)

Song Feng

2018-01-01

Full Text Available The electro-optic modulator is a very important device in silicon photonics, which is responsible for the conversion of optical signals and electrical signals. For the electro-optic modulator, the carrier density of waveguide region is one of the key parameters. The traditional method of increasing carrier density is to increase the external modulation voltage, but this way will increase the modulation loss and also is not conducive to photonics integration. This paper presents a micro-nano Si/SiGe/Si double heterojunction electro-optic modulation structure. Based on the band theory of single heterojunction, the barrier heights are quantitatively calculated, and the carrier concentrations of heterojunction barrier are analyzed. The band and carrier injection characteristics of the double heterostructure structure are simulated, respectively, and the correctness of the theoretical analysis is demonstrated. The micro-nano Si/SiGe/Si double heterojunction electro-optic modulation is designed and tested, and comparison of testing results between the micro-nano Si/SiGe/Si double heterojunction micro-ring electro-optic modulation and the micro-nano Silicon-On-Insulator (SOI micro-ring electro-optic modulation, Free Spectrum Range, 3 dB Bandwidth, Q value, extinction ratio, and other parameters of the micro-nano Si/SiGe/Si double heterojunction micro-ring electro-optic modulation are better than others, and the modulation voltage and the modulation loss are lower.

Pressure-induced coordination change of Ti in silicate glass: a XANES study

OpenAIRE

Paris, Eleonora; Dingwell, Donald B.; Seifert, Friedrich; Mottana, Annibale; Romano, Claudia

1994-01-01

The effect of pressure on titanium coordination in glasses, with composition K2TiSi4O11, quenched isobarically from liquids equilibrated at high pressure (5, 10, 15, 20, 25, 30 kbar respectively) and T=1600° C has been investigated by X-ray absorption spectroscopy (XAS). The XANES spectra collected at the Ti K-edge clearly show a variation with pressure that is related to changes in the geometrical environment around the Ti atoms. By comparison with spectra of standard materials, the XANES sp...

Research within the coordinated programme on comparison of methods of ''age'' determination of ground water based on decay of long-lived radioisotopes, especially 32-Si

International Nuclear Information System (INIS)

Clausen, H.

1982-06-01

Groundwater samples from two investigation areas have been analysed for the content of 32 Si. The possible presence of 32 Si in groundwater indicates that the ''younger'' component as underground production of 32 Si is unlikely. The concentration of 32 Si in measured samples except one (shallow groundwater) is low (around measurement error) which may indicate the exchange of silicone between radioactive and ''dead'' silica in the soil. At this stage the 32 Si ''dating'' method is not feasible for groundwater

An analysis of true- and false-positive results of vocal fold uptake in positron emission tomography-computed tomography imaging.

Science.gov (United States)

Seymour, N; Burkill, G; Harries, M

2018-03-01

Positron emission tomography-computed tomography with fluorine-18 fluorodeoxy-D-glucose has a major role in the investigation of head and neck cancers. Fluorine-18 fluorodeoxy-D-glucose is not a tumour-specific tracer and can also accumulate in benign pathology. Therefore, positron emission tomography-computed tomography scan interpretation difficulties are common in the head and neck, which can produce false-positive results. This study aimed to investigate patients detected as having abnormal vocal fold uptake on fluorine-18 fluorodeoxy-D-glucose positron emission tomography-computed tomography. Positron emission tomography-computed tomography scans were identified over a 15-month period where reports contained evidence of unilateral vocal fold uptake or vocal fold pathology. Patients' notes and laryngoscopy results were analysed. Forty-six patients were identified as having abnormal vocal fold uptake on positron emission tomography-computed tomography. Twenty-three patients underwent positron emission tomography-computed tomography and flexible laryngoscopy: 61 per cent of patients had true-positive positron emission tomography-computed tomography scans and 39 per cent had false-positive scan results. Most patients referred to ENT for abnormal findings on positron emission tomography-computed tomography scans had true-positive findings. Asymmetrical fluorine-18 fluorodeoxy-D-glucose uptake should raise suspicion of vocal fold pathology, accepting a false-positive rate of approximately 40 per cent.

Human glutaminyl cyclase and bacterial zinc aminopeptidase share a common fold and active site

Directory of Open Access Journals (Sweden)

Misquitta Stephanie A

2004-02-01

Full Text Available Abstract Background Glutaminyl cyclase (QC forms the pyroglutamyl residue at the amino terminus of numerous secretory peptides and proteins. We previously proposed the mammalian QC has some features in common with zinc aminopeptidases. We now have generated a structural model for human QC based on the aminopeptidase fold (pdb code 1AMP and mutated the apparent active site residues to assess their role in QC catalysis. Results The structural model proposed here for human QC, deposited in the protein databank as 1MOI, is supported by a variety of fold prediction programs, by the circular dichroism spectrum, and by the presence of the disulfide. Mutagenesis of the six active site residues present in both 1AMP and QC reveal essential roles for the two histidines (140 and 330, QC numbering and the two glutamates (201 and 202, while the two aspartates (159 and 248 appear to play no catalytic role. ICP-MS analysis shows less than stoichiometric zinc (0.3:1 in the purified enzyme. Conclusions We conclude that human pituitary glutaminyl cyclase and bacterial zinc aminopeptidase share a common fold and active site residues. In contrast to the aminopeptidase, however, QC does not appear to require zinc for enzymatic activity.

Low dose irradiation performance of SiC interphase SiC/SiC composites

International Nuclear Information System (INIS)

Snead, L.L.; Lowden, R.A.; Strizak, J.; More, K.L.; Eatherly, W.S.; Bailey, J.; Williams, A.M.; Osborne, M.C.; Shinavski, R.J.

1998-01-01

Reduced oxygen Hi-Nicalon fiber reinforced composite SiC materials were densified with a chemically vapor infiltrated (CVI) silicon carbide (SiC) matrix and interphases of either 'porous' SiC or multilayer SiC and irradiated to a neutron fluence of 1.1 x 10 25 n m -2 (E>0.1 MeV) in the temperature range of 260 to 1060 C. The unirradiated properties of these composites are superior to previously studied ceramic grade Nicalon fiber reinforced/carbon interphase materials. Negligible reduction in the macroscopic matrix microcracking stress was observed after irradiation for the multilayer SiC interphase material and a slight reduction in matrix microcracking stress was observed for the composite with porous SiC interphase. The reduction in strength for the porous SiC interfacial material is greatest for the highest irradiation temperature. The ultimate fracture stress (in four point bending) following irradiation for the multilayer SiC and porous SiC interphase materials was reduced by 15% and 30%, respectively, which is an improvement over the 40% reduction suffered by irradiated ceramic grade Nicalon fiber materials fabricated in a similar fashion, though with a carbon interphase. The degradation of the mechanical properties of these composites is analyzed by comparison with the irradiation behavior of bare Hi-Nicalon fiber and Morton chemically vapor deposited (CVD) SiC. It is concluded that the degradation of these composites, as with the previous generation ceramic grade Nicalon fiber materials, is dominated by interfacial effects, though the overall degradation of fiber and hence composite is reduced for the newer low-oxygen fiber. (orig.)

Carbon redistribution and precipitation in high temperature ion-implanted strained Si/SiGe/Si multi-layered structures

DEFF Research Database (Denmark)

Gaiduk, Peter; Hansen, John Lundsgaard; Nylandsted Larsen, Arne

2014-01-01

Graphical abstract Carbon depth profiles after high temperature implantation in strained Si/SiGe/Si multilayered system and induced structural defects.......Graphical abstract Carbon depth profiles after high temperature implantation in strained Si/SiGe/Si multilayered system and induced structural defects....

Tailoring Lipid and Polymeric Nanoparticles as siRNA Carriers towards the Blood-Brain Barrier – from Targeting to Safe Administration

DEFF Research Database (Denmark)

Gomes, Maria João; Fernandes, Carlos; Martins, Susana

2017-01-01

. The interaction of modified nanoparticles with brain endothelial cells increased 3-fold compared to non-modified lipid nanoparticles, and 4-fold compared to non-modified PLGA nanoparticles, respectively. These nanosystems, which were also demonstrated to be safe for human brain endothelial cells, without...... and efficient delivery to its target, two different nanoparticles platforms, solid lipid (SLN) and poly-lactic-co-glycolic (PLGA) nanoparticles were used in this study. Polymeric PLGA nanoparticles were around 115 nm in size and had 50 % of siRNA association efficiency, while SLN presented 150 nm...