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Tunneling
Kinds of Tunneling Terms modified by Tunneling Selected AbstractsTunneling enhanced by web page content block partition for focused crawlingCONCURRENCY AND COMPUTATION: PRACTICE & EXPERIENCE, Issue 1 2008Tao Peng Abstract The complexity of web information environments and multiple-topic web pages are negative factors significantly affecting the performance of focused crawling. A highly relevant region in a web page may be obscured because of low overall relevance of that page. Segmenting the web pages into smaller units will significantly improve the performance. Conquering and traversing irrelevant page to reach a relevant one (tunneling) can improve the effectiveness of focused crawling by expanding its reach. This paper presents a heuristic-based method to enhance focused crawling performance. The method uses a Document Object Model (DOM)-based page partition algorithm to segment a web page into content blocks with a hierarchical structure and investigates how to take advantage of block-level evidence to enhance focused crawling by tunneling. Page segmentation can transform an uninteresting multi-topic web page into several single topic context blocks and some of which may be interesting. Accordingly, focused crawler can pursue the interesting content blocks to retrieve the relevant pages. Experimental results indicate that this approach outperforms Breadth-First, Best-First and Link-context algorithm both in harvest rate, target recall and target length. Copyright © 2007 John Wiley & Sons, Ltd. [source] DFG Collaborative Research Centre SFB 837 "Interaction Modeling in Mechanized Tunneling" at Ruhr University Bochum / . DFG-Sonderforschungsbereich SFB 837 "Interaktionsmodelle für den maschinellen Tunnelbau" an der Ruhr-Universität BochumGEOMECHANICS AND TUNNELLING, Issue 4 2010Article first published online: 5 AUG 2010 No abstract is available for this article. [source] Comment on "Memory Effect and Negative Differential Resistance by Electrode-Induced Two-Dimensional Single-Electron Tunneling in Molecular and Organic Electronic Devices"ADVANCED MATERIALS, Issue 21 2006S. Majumdar No abstract is available for this article. [source] Theory of tip-dependent imaging of adsorbates in the STM: CO on Cu(111)INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2006D. Drakova Abstract The processes of local electron injection or extraction in the scanning tunneling microscopy (STM) and spectroscopy (STS) lead to the creation of short-lived excited states localized at the electrode surfaces. The dynamic relaxation of the transient negative or positive ion resonances, due to both local and long-range interactions, is the clue to the understanding of numerous phenomena in STM/STS ranging from the "anomalously" large tip height corrugation amplitudes on clean metal surfaces to the observation of quantum mirages and features in the STS, which are not observed with the help of other surface spectroscopies. Quantum nanodynamics theory (QND) has been applied to calculate the interaction potential of a single CO molecule with the Cu(111) surface, with a transient negative ion resonance formed when an electron is injected from the tip, and the tunneling conductance on the clean and CO covered Cu(111) surface using a clean metal tip Al/Al(111) and a Pt(111) tip with an adsorbed CO molecule at the apex. Within QND and three-dimensional scattering theory, regarding the tunneling as an excited-state problem, we provide the explanation of the tip-dependent STM image of a single CO molecule on Cu(111). The appearance of the CO molecule as an indentation, using a clean metal tip and as a protrusion with a tip terminated by a CO molecule, is understood as a result of tunneling through two competing channels. Tunneling via adsorbate-induced ion resonances enhances the tunneling conductance. In contrast, tunneling via metal ion resonances only leads to attenuation of the conductance in the presence of the adsorbate. The current in the vicinity of the adsorbed CO molecule is reduced when a clean metal tip is used; i.e., CO appears dark in the STM image, because metal ion resonances on Cu(111) derive from the surface states with image state components coupling to plasmons and are therefore very diffuse. With a CO-terminated tip, the major current channel is, for symmetry reasons, from the 2,-derived orbital of the tip CO molecule, via the diffuse 2,-derived orbital of the CO molecule on the sample, hence adsorbed CO appears bright. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 [source] High-performance nanoparticle-enhanced tunnel junctions for photonic devicesPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 10 2010Adam M. Crook Abstract We describe GaAs-based tunnel junctions that are compatible with photonic devices, including long-wavelength vertical-cavity surface-emitting lasers and multi-junction solar cells. Tunneling was enhanced with semimetallic ErAs nanoparticles, particularly when grown at reduced substrate temperatures. Additionally, we present the first direct measurement of the quality of III-V layers grown above ErAs nanoparticles. Photoluminescence measurements indicate that III-V material quality does not degrade when grown above ErAs nanoparticles, despite the mismatch in crystal structures. These findings validate these tunnel junctions as attractive candidates for GaAs-based photonic devices (© 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Business Groups and Tunneling: Evidence from Private Securities Offerings by Korean ChaebolsTHE JOURNAL OF FINANCE, Issue 5 2006JAE-SEUNG BAEK ABSTRACT We examine whether equity-linked private securities offerings are used as a mechanism for tunneling among firms that belong to a Korean chaebol. We find that chaebol issuers involved in intragroup deals set the offering prices to benefit their controlling shareholders. We also find that chaebol issuers (member acquirers) realize an 8.8% (5.8%) higher (lower) announcement return than do other types of issuers (acquirers) if they sell private securities at a premium to other member firms, and if the controlling shareholders receive positive net gains from equity ownership in issuers and acquirers. These results are consistent with tunneling within business groups. [source] Financial Reporting by Business Groups and the Market's Ex ante Valuation of Tunneling: Evidence from Korean Chaebols,ASIA-PACIFIC JOURNAL OF FINANCIAL STUDIES, Issue 4 2009Kwon-Jung Kim Abstract This study examines how the Korean stock market reacts to the release of group-level financial statements by Korean business groups (chaebols). I find that chaebol firms that perform relatively well (measured by ROE) within their group but whose controlling shareholders have low levels of cash-flow rights experience negative price reactions particularly when their group ROE is low. In contrast, chaebol firms whose controlling shareholders have high levels of cash-flow rights do not experience negative price reactions even when their group ROE is negative. These findings are consistent with the market anticipating that "tunneling" will occur in low-cash-flow-right firms, but not in high-cash-flow-right firms, to provide support to poorly performing firms. To corroborate these results, I also examine whether tunneling actually occurs within one year after the group-earnings announcements. I find that in many cases, resources of low-cash-flow-right firms with relatively good performance are actually transferred to poorly performing firms (mostly, unlisted firms) through purchasing new equity of poorly performing firms. Moreover, the magnitude of negative price reactions at the time of group-earnings announcements is significantly related to the magnitude of resources transferred to poorly performing firms. [source] Electron Tunneling through Molecular Media: A Density Functional Study of Au/Dithiol/Au SystemsCHEMPHYSCHEM, Issue 9 2005Qiang Sun Dr. Abstract We report a density functional theory study of the electronic properties of n -alkanedithiols (CnS2, with n=4, 8 and 12) sandwiched between two Au(111) infinite slab electrodes. We investigate the influence of the distance between the two electrodes and of the molecular chain length, tilt angle, and coverage on the local density of states (LDOS) at the Fermi energy (Ef). We find that the (small) value of the LDOS at Efnear the center of the molecular wires,a quantity that is related to the tunneling current,is mainly determined by the length n of the alkane chains: it originates from the tails of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) which are broadened by the interaction with the electrodes, and decays exponentially with the length of the molecular wire. This opens a nonresonance tunneling channel for charge transport at small bias voltages. While the length of the hydrocarbon chain appears to be the determining factor, the tilt angle of the molecular wires with respect to the electrode surfaces, and therefore the distance between these, has a small influence on the LDOS at the center of the molecule, while the effect of coverage can be ignored. The picture which emerges from these calculations is totally consistent with a through-bond tunneling mechanism. [source] Tunneling enhanced by web page content block partition for focused crawlingCONCURRENCY AND COMPUTATION: PRACTICE & EXPERIENCE, Issue 1 2008Tao Peng Abstract The complexity of web information environments and multiple-topic web pages are negative factors significantly affecting the performance of focused crawling. A highly relevant region in a web page may be obscured because of low overall relevance of that page. Segmenting the web pages into smaller units will significantly improve the performance. Conquering and traversing irrelevant page to reach a relevant one (tunneling) can improve the effectiveness of focused crawling by expanding its reach. This paper presents a heuristic-based method to enhance focused crawling performance. The method uses a Document Object Model (DOM)-based page partition algorithm to segment a web page into content blocks with a hierarchical structure and investigates how to take advantage of block-level evidence to enhance focused crawling by tunneling. Page segmentation can transform an uninteresting multi-topic web page into several single topic context blocks and some of which may be interesting. Accordingly, focused crawler can pursue the interesting content blocks to retrieve the relevant pages. Experimental results indicate that this approach outperforms Breadth-First, Best-First and Link-context algorithm both in harvest rate, target recall and target length. Copyright © 2007 John Wiley & Sons, Ltd. [source] Orientation and Arrangement of Octaruthenium Supramolecules with Alkyl Chains on GraphiteEUROPEAN JOURNAL OF INORGANIC CHEMISTRY, Issue 35 2007Dong-Lin Shieh Abstract The self-assemblies of octaruthenium grid-type supramolecules, {[Ru2(CO)4(NH2C16H33)2](,-O2CCO2)}4, on highly oriented pyrolytic graphite (HOPG) in air and in 1-phenyloctane were studied by scanning tunneling microscopy (STM). The surface supramolecules are arranged into rows in which the metal cores are linearly packed and the alkyl chains are parallel to the surface. With the aid of theoretical calculations in the framework of density functional theory, the electronic origin of the tunneling in the measured STM images is discussed. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007) [source] Controlling Electron and Hole Charge Injection in Ambipolar Organic Field-Effect Transistors by Self-Assembled MonolayersADVANCED FUNCTIONAL MATERIALS, Issue 15 2009Xiaoyang Cheng Abstract Controlling contact resistance in organic field-effect transistors (OFETs) is one of the major hurdles to achieve transistor scaling and dimensional reduction. In particular in the context of ambipolar and/or light-emitting OFETs it is a difficult challenge to obtain efficient injection of both electrons and holes from one injecting electrode such as gold since organic semiconductors have intrinsically large band gaps resulting in significant injection barrier heights for at least one type of carrier. Here, systematic control of electron and hole contact resistance in poly(9,9-di- n -octylfluorene- alt -benzothiadiazole) ambipolar OFETs using thiol-based self-assembled monolayers (SAMs) is demonstrated. In contrast to common believe, it is found that for a certain SAM the injection of both electrons and holes can be improved. This simultaneous enhancement of electron and hole injection cannot be explained by SAM-induced work-function modifications because the surface dipole induced by the SAM on the metal surface lowers the injection barrier only for one type of carrier, but increases it for the other. These investigations reveal that other key factors also affect contact resistance, including i) interfacial tunneling through the SAM, ii) SAM-induced modifications of interface morphology, and iii) the interface electronic structure. Of particular importance for top-gate OFET geometry is iv) the active polymer layer thickness that dominates the electrode/polymer contact resistance. Therefore, a consistent explanation of how SAM electrode modification is able to improve both electron and hole injection in ambipolar OFETs requires considering all mentioned factors. [source] Bacteriorhodopsin-Monolayer-Based Planar Metal,Insulator,Metal Junctions via Biomimetic Vesicle Fusion: Preparation, Characterization, and Bio-optoelectronic Characteristics,ADVANCED FUNCTIONAL MATERIALS, Issue 8 2007D. Jin Abstract A reliable and reproducible method for preparing bacteriorhodopsin (bR)-containing metal,biomolecule,monolayer-metal planar junctions via vesicle fusion tactics and soft deposition of Au top electrodes is reported. Optimum monolayer and junction preparations, including contact effects, are discussed. The electron-transport characteristics of bR-containing membranes are studied systematically by incorporating native bR or artificial bR pigments derived from synthetic retinal analogues, into single solid-supported lipid bilayers. Current,voltage (I,V) measurements at ambient conditions show that a single layer of such bR-containing artificial lipid bilayers pass current in solid electrode/bilayer/solid electrode structures. The current is passed only if retinal or its analogue is present in the protein. Furthermore, the preparations show photoconductivity as long as the retinal can isomerize following light absorption. Optical characterization suggests that the junction photocurrents might be associated with a photochemically induced M-like intermediate of bR. I,V measurements along with theoretical estimates reveal that electron transfer through the protein is over four orders of magnitude more efficient than what would be estimated for direct tunneling through 5,nm of water-free peptides. Our results furthermore suggest that the light-driven proton-pumping activity of the sandwiched solid-state bR monolayer contributes negligibly to the steady-state light currents that are observed, and that the orientation of bR does not significantly affect the observed I,V characteristics. [source] Metallic Nanoparticle Network for Photocurrent Generation and PhotodetectionADVANCED MATERIALS, Issue 29 2009Xian Ning Xie The generation and conduction of photoelectrons in ligated metallic Au NPs are demonstrated, and their key factors include tunneling of photoexcited electrons, the close packing of the NP network, and increased photoelectron-to-intrinsic electron ratio associated with ligand passivation. In view of their inherent characteristics, metallic NPs may provide a promising alternative to semiconductors in photocurrent and photodetection applications. [source] Three-dimensional finite element analysis of the interaction between tunneling and pile foundationsINTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 3 2002H. Mroueh Abstract This paper concerns analysis of the impact of construction of urban tunnels on adjacent pile foundations. It is carried out using an elastoplastic three-dimensional finite element modelling. Numerical simulations are performed in two stages, which concern, respectively, the application of the pile axial loading and the construction of the tunnel in presence of the pile foundations. Analysis is carried out for both single piles and groups of piles. Results of numerical simulations show that tunneling induces significant internal forces in adjacent piles. The distribution of internal forces depends mainly on the position of the pile tip regarding the tunnel horizontal axis and the distance of the pile axis from the centre of the tunnel. Analysis of the interaction between tunneling and a group of piles reveals a positive group effect with a high reduction of the internal forces in rear piles. Copyright © 2002 John Wiley & Sons, Ltd. [source] Direct ab initio dynamics calculations of the rate constants for the reaction of CHF2CF2OCH3 with ClINTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 4 2007Lei Yang A dual-level direct dynamics method is employed to reveal the dynamical properties of the reaction of CHF2CF2OCH3 (HFE-254pc) with Cl atoms. The optimized geometries and frequencies of the stationary points and the minimum energy path (MEP) are calculated at the B3LYP/6-311G(d,p) level by using GAUSSIAN 98 program package, and energetic information is further refined by the G3(MP2) method. Two H-abstraction channels have been identified. For the reactant CHF2CF2OCH3 and the two products, CHF2CF2OCH2 and CF2CF2OCH3, the standard enthalpies of formation are evaluated with the values of ,256.71 ± 0.88, ,207.79 ± 0.12, and ,233.43 ± 0.88 kcal/mol, respectively, via group-balanced isodesmic reactions. The rate constants of the two reaction channels are evaluated by means of canonical variational transition-state theory (CVT) including the small-curvature tunneling (SCT) correction over a wide range of temperature from 200 to 2000 K. The calculated rate constants agree well with the experimental data, and the Arrhenius expressions for the title reaction are fitted and can be expressed as k1 = 9.22 × 10,19 T2.06 exp(219/T), k2 = 4.45 × 10,14T0.90 exp(,2220/T), and k = 4.71 × 10,22 T3.20) exp(543/T) cm3 molecule,1 s,1. Our results indicate that H-abstraction from CH3 group is the main reaction pathway in the lower temperature range, while H-abstraction from CHF2 group becomes more competitive in the higher temperature range. © 2007 Wiley Periodicals, Inc. 39: 221,230, 2007 [source] A shock tube study of the reaction NH2 + CH4 , NH3 + CH3 and comparison with transition state theoryINTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 7 2003Soonho Song The rate coefficient for NH2 + CH4 , NH3 + CH3 (R1) has been measured in a shock tube in the temperature range 1591,2084 K using FM spectroscopy to monitor NH2 radicals. The measurements are combined with a calculation of the potential energy surface and canonical transition state theory with WKB tunneling to obtain an expression for k1 = 1.47 × 103T3.01e,5001/T(K) cm3 mol,1 s,1 that describes available data in the temperature range 300 ,2100 K. © 2003 Wiley Periodicals, Inc. Int J Chem Kinet 35: 304,309, 2003 [source] Quantum dynamics of a discontinuously kicked charged particle in harmonic, symmetric double, or triple wellsINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2009S. Ghosh Abstract The quantum dynamics of a charged particle in a harmonic trap in the presence of discontinuous reversals of a homogeneous or an inhomogeneous electric field is studied. The dynamics reveals classically expected patterns in harmonic wells. In a symmetric double-well potential, the discontinuously switched low intensity homogeneous electric field does not appear to assist tunneling, whereas an inhomogeneous electric field is found to assist the process. Resonance like enhancement is noticed at a critical reversal frequency. Dynamics in a triple well is also analyzed under similar conditions. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009 [source] Theory of tip-dependent imaging of adsorbates in the STM: CO on Cu(111)INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 6 2006D. Drakova Abstract The processes of local electron injection or extraction in the scanning tunneling microscopy (STM) and spectroscopy (STS) lead to the creation of short-lived excited states localized at the electrode surfaces. The dynamic relaxation of the transient negative or positive ion resonances, due to both local and long-range interactions, is the clue to the understanding of numerous phenomena in STM/STS ranging from the "anomalously" large tip height corrugation amplitudes on clean metal surfaces to the observation of quantum mirages and features in the STS, which are not observed with the help of other surface spectroscopies. Quantum nanodynamics theory (QND) has been applied to calculate the interaction potential of a single CO molecule with the Cu(111) surface, with a transient negative ion resonance formed when an electron is injected from the tip, and the tunneling conductance on the clean and CO covered Cu(111) surface using a clean metal tip Al/Al(111) and a Pt(111) tip with an adsorbed CO molecule at the apex. Within QND and three-dimensional scattering theory, regarding the tunneling as an excited-state problem, we provide the explanation of the tip-dependent STM image of a single CO molecule on Cu(111). The appearance of the CO molecule as an indentation, using a clean metal tip and as a protrusion with a tip terminated by a CO molecule, is understood as a result of tunneling through two competing channels. Tunneling via adsorbate-induced ion resonances enhances the tunneling conductance. In contrast, tunneling via metal ion resonances only leads to attenuation of the conductance in the presence of the adsorbate. The current in the vicinity of the adsorbed CO molecule is reduced when a clean metal tip is used; i.e., CO appears dark in the STM image, because metal ion resonances on Cu(111) derive from the surface states with image state components coupling to plasmons and are therefore very diffuse. With a CO-terminated tip, the major current channel is, for symmetry reasons, from the 2,-derived orbital of the tip CO molecule, via the diffuse 2,-derived orbital of the CO molecule on the sample, hence adsorbed CO appears bright. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 [source] Vibronic polarons: Self-trapping, local rotation, and band featuresINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4 2002A. G. Andreev Abstract We revisit basic theoretical concepts of local and itinerant vibronic polarons in crystals. The following results may be regarded as novel: (1) The electron self-trapping rate to a small polaron is calculated via the reaction rate method; subsequently, self-trapped on-center small polarons relax to an off-center vibronic polaron state. (2) The general vibronic Hamiltonian is redefined so as to incorporate both local and itinerant behavior and pairing into bipolarons or Cooper pairs. (3) The planar rotation and diametral tunneling of an off-center polaron around and across its centrosymmetrical site are dealt with to adiabatic approximation. (4) Variational calculations are made for vibronic polarons itinerant along 1-D chains by means of a two-band extension of Merrifield's ansatz. This investigation of vibronic polarons is undertaken in view of their presumed role in high-temperature superconductivity and colossal magnetoresistance. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002 [source] The Role of Charge Localization in Current-Driven DynamicsISRAEL JOURNAL OF CHEMISTRY, Issue 1 2007Ryan Jorn We explore the role of charge localization in current-triggered, resonance-mediated, dynamical events in molecular junctions. To that end we use a simple model for a molecular rattle, a Li+C9H,9 zwitterion attached between two metal clusters. By varying the size of the metal clusters we systematically vary the degree of delocalization of the electronic orbitals underlying the resonant current, and thus can draw general conclusions regarding the effect of delocalization on dynamical processes induced by resonance inelastic current in molecular electronics. In the small cluster limit, we find interesting quantum dynamics in the nuclear subspace, corresponding to coherent tunneling of the wave packet through the barrier of an asymmetric double-well potential. These dynamics are rapidly damped with increasing charge delocalization in extended systems. [source] Mode-selective stereomutation tunneling as compared to parity violation in hydrogen diselenide isotopomers 1,2,3H280Se2ISRAEL JOURNAL OF CHEMISTRY, Issue 3-4 2003Michael Gottselig We present quantitative calculations of the mode-selective stereomutation tunneling in the chiral hydrogen diselenide isotopomers X2Se2 with X = H, D, and T. The torsional tunneling stereomutation dynamics were investigated with a quasi-adiabatic channel quasi-harmonic reaction path Hamiltonian approach, which treats the torsional motion anharmonically in detail and all remaining coordinates as harmonic (but anharmonically coupled to the reaction coordinate). We also investigated the influence of the excitation of fundamental modes on the stereomutation dynamics and predict which modes should be promoting or inhibiting. Our stereomutation dynamics results and the influence of parity violation on these are discussed in relation to our recent investigations for the analogous molecules H2O2, HSOH, H2S2, and Cl2S2. The electronic potential energy barrier heights for the torsional motion of hydrogen diselenide are similar to those of HSOH, whereas the torsional tunneling splittings are similar to the corresponding values of HSSH. The ground-state torsional tunneling splittings calculated here for D2Se2 are of the same order as the parity-violating energy difference reported by Laerdahl and Schwerdtfeger (Phys. Rev. A 1999, 60, 4439), whereas for T2Se2 the corresponding tunneling splitting is about three orders of magnitude smaller. [source] Treatment of Skeletally Mature Ovariectomized Rhesus Monkeys With PTH(1-84) for 16 Months Increases Bone Formation and Density and Improves Trabecular Architecture and Biomechanical Properties at the Lumbar Spine,JOURNAL OF BONE AND MINERAL RESEARCH, Issue 2 2007John Fox PhD Abstract Histomorphometric studies of treatments for osteoporosis in humans are restricted to iliac crest biopsies. We studied the effects of PTH(1-84) treatment at the lumbar spine of skeletally mature ovariectomized rhesus monkeys. PTH increased bone turnover, rapidly normalized BMD, and increased vertebral compressive strength. PTH increased trabecular bone volume primarily by increasing trabecular number by markedly increasing intratrabecular tunneling. Introduction: Histomorphometric studies of the anabolic properties of PTH(1-84) (PTH) and related peptides in human bone are restricted to iliac crest biopsies. The ovariectomized (OVX) monkey is an accepted model of human postmenopausal bone loss and was used to study the effects of PTH treatment at clinically relevant skeletal sites. Materials and Methods: Skeletally mature rhesus monkeys were OVX or sham-operated and, after a bone depletion period of 9 months, treated daily for 16 months with PTH (5, 10, or 25 ,g/kg). Markers of bone formation (serum osteocalcin) and resorption (urine N-telopeptide [NTX]) and lumbar spine BMD were measured throughout the study. Trabecular architecture and vertebral biomechanical properties were quantified at 16 months. Results: PTH treatment induced dose-dependent increases in bone turnover but did not increase serum calcium. Osteocalcin was significantly increased above OVX controls by 1 month. NTX was significantly elevated at 1 month with the highest dose, but not until 12 months with the 5 and 10 ,g/kg doses. Lumbar spine BMD was 5% lower in OVX than in sham animals when treatment was started. All PTH doses increased BMD rapidly, with sham levels restored by 3,7 months with 10 and 25 ,g/kg and by 16 months with 5 ,g/kg. PTH treatment increased trabecular bone volume (BV/TV), primarily by increasing trabecular number, and dose-dependently increased bone formation rate (BFR) solely by increasing mineralizing surface. The largest effects on BV/TV and yield load occurred with the 10 ,g/kg dose. The highest dose reduced trabecular thickness by markedly increasing intratrabecular tunneling. Conclusions: PTH treatment of OVX rhesus monkeys increased bone turnover and increased BV/TV, BMD, and strength at the lumbar spine. All PTH doses were safe, but the 10 ,g/kg dose was generally optimal, possibly because the highest dose resulted in too marked a stimulation of bone remodeling. [source] Resternotomy for a Retrosternal Cardiac Pseudoaneurysm in a 1.5-Year- Old Child: A Case ReportJOURNAL OF CARDIAC SURGERY, Issue 5 2005Ghassan M. Baslaim M.D. The wall of the pseudoaneurysm consists of fibrous tissue and lacks the structural elements found in a normal cardiac wall, and it is contained by the pericardial adhesions or the epicardial wall. Early surgery is recommended even for asymptomatic patients due to the propensity for rupture and fatal outcome. We report our experience with the surgical approach of a child with a cardiac pseudoaneurysm who had undergone a biventricular repair of a double outlet right ventricle with non-committed ventricular septal defect in the form of intraventricular tunneling. [source] An analysis of all the relevant facts and arguments indicates that enzyme catalysis does not involve large contributions from nuclear tunnelingJOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Issue 7 2010Shina C. L. Kamerlin Abstract Enzymatic reactions are crucial toward controlling and performing most life processes, and, as such, understanding how they really work has both fundamental and practical importance. Thus, one of the major current challenges of biophysics involves understanding the origin of the enormous catalytic power of enzymes, an issue that is still not widely understood and remains controversial within the scientific community. Several proposals have been put forth to try to explain the origin of enzyme catalysis, one of which is the idea that enzyme catalysis involves special factors such as nuclear quantum mechanical (NQM) effects, and, in particular, nuclear tunneling. Here, we will discuss both the factors for and against this proposition, and demonstrate that an analysis of all the relevant facts and arguments seems to establish that enzyme catalysis does not involve large contributions from nuclear tunneling. Copyright © 2010 John Wiley & Sons, Ltd. [source] Mechanism and dynamics of organic reactions: 1,2-H shift in methylchlorocarbene,JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, Issue 8 2002Elfi Kraka Abstract The unified reaction valley approach (URVA) was used to investigate the mechanism of the rearrangement of methylchlorocarbene to chloroethene [reaction(1)] in the gas phase with special emphasis on the role of H tunneling. The reaction valley of (1) was explored using different methods (HF, MP2 and DFT/B3LYP) and different basis sets [6,31G(d), 6,31G(d,p) and cc-pVTZ]. Results were analyzed characterizing normal modes, reaction path vector and curvature vector in terms of generalized adiabatic modes associated with internal parameters that are used to describe the reaction complex. For reaction (1), H tunneling plays a significant role even at room temperature, but does not explain the strongly curved Arrhenius correlations observed experimentally. The probability of H tunneling can be directly related to the curvature of the reaction path and the associated curvature couplings. The reaction is preceeded in the forward and reverse direction by energy-consuming conformational changes that prepare the reactant for the actual 1,2-H shift, which requires only little energy. The effective energy needed for CH bond breaking is just 6,kcal,mol,1 for (1). The gas-phase and the solution-phase mechanisms of (1) differ considerably, which is reflected by the activation enthalpies: 11.4 (gas, calculated) and 4.3,kcal,mol,1 (solution, measured). Stabilizing interactions with solvent molecules take place in the latter case and reduce the importance of H tunneling. The non-linearity of the measured Arrhenius correlations most likely results from bimolecular reactions of the carbene becoming more important at lower temperatures. Copyright © 2002 John Wiley & Sons, Ltd. [source] Effect of Thermal Initiator Concentration on the Electrical Behavior of Polymer-Derived Amorphous Silicon CarbonitridesJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 12 2008Yansong Wang The electric conductivity of polymer-derived silicon carbonitrides made from a polysilazane modified with different amounts of thermal initiator is measured at room temperature. It is found that the thermal initiator has a significant effect on the electric conductivity, which first increases and then decreases with increasing thermal initiator concentration. The highly conductive sample exhibits a very high piezoresistive coefficient and weak temperature dependence as compared with the low conductive samples. The microstructures of the materials are characterized using a Raman spectroscope. Based on these results, two conducting mechanisms are identified: the highly conductive sample is dominated by the tunneling,percolation mechanism, while the low conductive samples are dominated by matrix phases. The effect of the thermal initiator on the development of the microstructures of the materials is discussed. [source] A Silicon Carbonitride Ceramic with Anomalously High PiezoresistivityJOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 4 2008Ligong Zhang The piezoresistive behavior of a silicon carbonitride ceramic derived from a polymer precursor is investigated under a uniaxial compressive loading condition. The electric conductivity has been measured as a function of the applied stress along both longitudinal and transverse directions. The gauge factor of the materials was then calculated from the data at different stress levels. The results show that the material exhibits an extremely high piezoresistive coefficient along both directions, ranging from 1000 to 4000, which are much higher than any existing ceramic material. The results also reveal that the gauge factor decreases significantly with increasing applied stress. A theoretical model based on the tunneling,percolation mechanism has been developed to explain the stress dependence of the gauge factor. The unique piezoresistive behavior is attributed to the unique self-assembled nanodomain structure of the material. [source] Cooperative interaction of n -butylammonium ion with 1,3-alternate tetrapropoxycalix [4]arene: NMR and theoretical studyMAGNETIC RESONANCE IN CHEMISTRY, Issue 5 2008Jaroslav K Abstract The interaction of 1,3-alternate tetrapropoxycalix[4]arene (1) with n -butylammonium ion (2) in CD2Cl2 was examined using 1H, 13C and 14N NMR spectroscopy and DFT (density functional theory) calculations. NMR shows that 1 forms with 2 an equimolecular hydrogen-bonded complex with the equilibrium constant 5.91 × 103 l/mol at 296 K. The structure of the complex can be shown to be asymmetric at 203 K, with 2 interacting by hydrogen bonds with the two ethereal oxygen atoms of one half of 1 and with the , system of the other half, but is rapidly averaged to an apparent C4h symmetry by chemical exchange at higher temperatures. Using two related but independent techniques based on transverse and rotating-frame proton relaxation, it is shown that only an intermolecular exchange of 2 between the bound and free states takes place, in contrast to previously studied interaction of 1 with H3O+. Its correlation time is 0.169 ms. It is shown by DFT calculations that such swift exchange is not possible without a cooperative interaction of both 2 and 1 with several molecules of water present. Similarities and contrasts between the exchange processes of 2 and H3O+ bound to 1 are discussed, in particular with respect to the apparent quantum tunneling of the latter inside the molecule of the complex. Copyright © 2008 John Wiley & Sons, Ltd. [source] 1H NMR study of internal motions and quantum rotational tunneling in (CH3)4NGeCl3MAGNETIC RESONANCE IN CHEMISTRY, Issue 2 2008K. J. Mallikarjunaiah Abstract (CH3)4NGeCl3 is prepared, characterized and studied using 1H NMR spin lattice relaxation time and second moment to understand the internal motions and quantum rotational tunneling. Proton second moment is measured at 7 MHz as function of temperature in the range 300,77 K and spin lattice relaxation time (T1) is measured at two Larmor frequencies, as a function of temperature in the range 270,17 K employing a homemade wide-line/pulsed NMR spectrometers. T1 data are analyzed in two temperature regions using relevant theoretical models. The relaxation in the higher temperatures (270,115 K) is attributed to the hindered reorientations of symmetric groups (CH3 and (CH3)4N). Broad asymmetric T1 minima observed below 115 K down to 17 K are attributed to quantum rotational tunneling of the inequivalent methyl groups. Copyright © 2007 John Wiley & Sons, Ltd. [source] Survivorship, tunneling and feeding behaviors of Coptotermes formosanus (Isoptera: Rhinotermitidae) in response to 2,-acetonaphthone-treated sandPEST MANAGEMENT SCIENCE (FORMERLY: PESTICIDE SCIENCE), Issue 8 2004Sanaa A Ibrahim Abstract In laboratory tests, 2,-acetonaphthone was incorporated into sand at different concentrations (4.16,200 mg kg,1) and evaluated for survivorship, feeding and tunneling effects on the Formosan subterranean termite, Coptotermes formosanus Shiraki. 2,-Acetonaphthone at 8.33 mg kg,1 sand significantly reduced survivorship (89,94%), tunnel area (68,91%) and food consumption (84,100%) compared with the control. Most of the dead workers were found at the release point and a few had traveled to the surface of the treated sand. Malformed workers (,27%) with an unexpected symptom of molting failure were observed, particularly at the lowest concentration tested (4.16 mg kg,1). In choice assays, threshold concentration for significant reduction in survivorship, tunnel construction in treated sand and food consumption in the treated-sand side was 8.33 mg kg,1 with termites collected from New Orleans, LA and 35.0 mg kg,1 for those from Lake Charles, LA. Termites actively fed and tunneled in the untreated sand, whereas 2,-acetonaphthone at 140 mg kg,1 completely inhibited consumption of food placed on the treated sand. Copyright © 2004 Society of Chemical Industry [source] | ||||||||||||||||||||||||||||