A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4P.

Science.gov (United States)

Martínez-Jiménez, Manuel; Saint-Martin, Humberto

2018-04-17

In this work, we present a new four-site potential for methanol, MeOH-4P, fitted to reproduce the dielectric constant ε, the surface tension γ s , and the liquid density ρ of the pure liquid at T = 298.15 K and p = 1 bar. The partial charges on each site were taken from the OPLS/2016 model with the only difference of putting the negative charge on the fourth site ( M) instead of on the O atom, as done in four-site water models. The original Lennard-Jones (LJ) parameters of OPLS/2016 for the methyl moiety (Me) were modified for the fitting of ρ and γ s , whereas the parameters of the TIP4P-FB water model were used for the O atom without change. Taking into account the energetic cost of the enhanced dipole relative to the isolated molecule, the results from simulations with this model showed good agreement with experiments for ρ, α p , κ T , C p , and Δ H v- l . Also, the temperature dependence of γ s and ε is satisfactory in the interval between 260 and 360 K, and the critical point description is similar to that of OPLS/2016. It is shown that orientational correlations, described by the Kirkwood factor G k , play a prominent role in the appropriate description of dielectric constants in existing models; unfortunately, the enhancement of the dipole moment produced a low diffusion coefficient D MeOH ; thus, a compromise was required between a good reproduction of ε and an acceptable D MeOH . The use of a fourth site resulted in a significant improvement for water-methanol mixtures described with TIP4P-FB and MeOH-4P, respectively, but required the modification of the LJ geometric combination rule to allow a good description of the methanol molar-fraction dependence of ρ, ε, and methanol (water) diffusion coefficients D MeOH ( D H 2 O ) and excess volume of mixing Δ V mix in the entire range of composition. The resulting free energy of hydration Δ G hyd shows excellent agreement with experiments in the interval between 280 and 360 K.

Plastic crystal phases of simple water models

International Nuclear Information System (INIS)

Aragones, J. L.; Vega, C.

2009-01-01

We report the appearance of two plastic crystal phases of water at high pressure and temperature using computer simulations. In one of them the oxygen atoms form a body centered cubic structure (bcc) and in the other they form a face centered cubic structure (fcc). In both cases the water molecules were able to rotate almost freely. We have found that the bcc plastic crystal transformed into a fcc plastic crystal via a Martensitic phase transition when heated at constant pressure. We have performed the characterization and localization in the phase diagram of these plastic crystal phases for the SPC/E, TIP4P, and TIP4P/2005 water potential models. For TIP4P/2005 model free energy calculations were carried out for the bcc plastic crystal and fcc plastic crystal using a new method (which is a slight variation of the Einstein crystal method) proposed for these types of solid. The initial coexistence points for the SPC/E and TIP4P models were obtained using Hamiltonian Gibbs–Duhem integration. For all of these models these two plastic crystal phases appear in the high pressure and temperature region of the phase diagram. It would be of interest to study if such plastic crystal phases do indeed exist for real water. This would shed some light on the question of whether these models can describe satisfactorily the high pressure part of the phase diagram of water, and if not, where and why they fail.

Comparing Classical Water Models Using Molecular Dynamics to Find Bulk Properties

Science.gov (United States)

Kinnaman, Laura J.; Roller, Rachel M.; Miller, Carrie S.

2018-01-01

A computational chemistry exercise for the undergraduate physical chemistry laboratory is described. In this exercise, students use the molecular dynamics package Amber to generate trajectories of bulk liquid water for 4 different water models (TIP3P, OPC, SPC/E, and TIP4Pew). Students then process the trajectory to calculate structural (radial…

Static dielectric constant of water within a bilayer using recent water models: a molecular dynamics study

Science.gov (United States)

Meneses-Juárez, Efrain; Rivas-Silva, Juan Francisco; González-Melchor, Minerva

2018-05-01

The water confined within a surfactant bilayer is studied using different water models via molecular dynamics simulations. We considered four representative rigid models of water: the SPC/E and the TIP4P/2005, which are commonly used in numerical calculations and the more recent TIP4Q and SPC/ε models, developed to reproduce the dielectric behaviour of pure water. The static dielectric constant of the confined water was analyzed as a function of the temperature for the four models. In all cases it decreases as the temperature increases. Additionally, the static dielectric constant of the bilayer-water system was estimated through its expression in terms of the fluctuations in the total dipole moment, usually applied for isotropic systems. The estimated dielectric was compared with the available experimental data. We found that the TIP4Q and the SPC/ε produce closer values to the experimental data than the other models, particularly at room temperature. It was found that the probability of finding the sodium ion close to the head of the surfactant decreases as the temperature increases, thus the head of the surfactant is more exposed to the interaction with water when the temperature is higher.

The Dependence of Amyloid‐β Dynamics on Protein Force Fields and Water Models

DEFF Research Database (Denmark)

Somavarapu, Arun Kumar; Kepp, Kasper Planeta

2015-01-01

We studied the dynamics of Aβ40, involved in Alzheimer's disease, by using 21 methods combined from Amber03, Amber99sb‐ILDN, Charmm27, Charmm22*, OPLS‐2001, OPLS‐2006, OPLS‐2008, Gromos96‐43a1, Gromos96‐53a6, Gromos96‐54a7, and the water models SPC, TIP3P, TIP4P. Major differences in the structur...

Tip studies using CFD and comparison with tip loss models

DEFF Research Database (Denmark)

Hansen, Martin Otto Laver; Johansen, J.

2004-01-01

The flow past a rotating LM8.2 blade equipped with two different tips are computed using CFD. The different tip flows are analysed and a comparison with two different tip loss models is made. Keywords: tip flow, aerodynamics, CFD......The flow past a rotating LM8.2 blade equipped with two different tips are computed using CFD. The different tip flows are analysed and a comparison with two different tip loss models is made. Keywords: tip flow, aerodynamics, CFD...

A quantitative prediction model of SCC rate for nuclear structure materials in high temperature water based on crack tip creep strain rate

International Nuclear Information System (INIS)

Yang, F.Q.; Xue, H.; Zhao, L.Y.; Fang, X.R.

2014-01-01

Highlights: • Creep is considered to be the primary mechanical factor of crack tip film degradation. • The prediction model of SCC rate is based on crack tip creep strain rate. • The SCC rate calculated at the secondary stage of creep is recommended. • The effect of stress intensity factor on SCC growth rate is discussed. - Abstract: The quantitative prediction of stress corrosion cracking (SCC) of structure materials is essential in safety assessment of nuclear power plants. A new quantitative prediction model is proposed by combining the Ford–Andresen model, a crack tip creep model and an elastic–plastic finite element method. The creep at the crack tip is considered to be the primary mechanical factor of protective film degradation, and the creep strain rate at the crack tip is suggested as primary mechanical factor in predicting the SCC rate. The SCC rates at secondary stage of creep are recommended when using the approach introduced in this study to predict the SCC rates of materials in high temperature water. The proposed approach can be used to understand the SCC crack growth in structural materials of light water reactors

Modeling shoot-tip temperature in the greenhouse environment

International Nuclear Information System (INIS)

Faust, J.E.; Heins, R.D.

1998-01-01

An energy-balance model is described that predicts vinca (Catharanthus roseus L.) shoot-tip temperature using four environmental measurements: solar radiation and dry bulb, wet bulb, and glazing material temperature. The time and magnitude of the differences between shoot-tip and air temperature were determined in greenhouses maintained at air temperatures of 15, 20, 25, 30, or 35 °C. At night, shoot-tip temperature was always below air temperature. Shoot-tip temperature decreased from 0.5 to 5 °C below air temperature as greenhouse glass temperature decreased from 2 to 15 °C below air temperature. During the photoperiod under low vapor-pressure deficit (VPD) and low air temperature, shoot-tip temperature increased ≈4 °C as solar radiation increased from 0 to 600 W·m -2 . Under high VPD and high air temperature, shoot-tip temperature initially decreased 1 to 2 °C at sunrise, then increased later in the morning as solar radiation increased. The model predicted shoot-tip temperatures within ±1 °C of 81% of the observed 1-hour average shoot-tip temperatures. The model was used to simulate shoot-tip temperatures under different VPD, solar radiation, and air temperatures. Since the rate of leaf and flower development are influenced by the temperature of the meristematic tissues, a model of shoot-tip temperature will be a valuable tool to predict plant development in greenhouses and to control the greenhouse environment based on a plant temperature setpoint. (author)

Phacoemulsification tip vacuum pressure: Comparison of 4 devices.

Science.gov (United States)

Payne, Marielle; Georgescu, Dan; Waite, Aaron N; Olson, Randall J

2006-08-01

To determine the vacuum pressure generated by 4 phacoemulsification devices measured at the phacoemulsification tip. University ophthalmology department. The effective vacuum pressures generated by the Sovereign (AMO), Millennium (Bausch & Lomb), Legacy AdvanTec (Alcon Laboratories), and Infiniti (Alcon Laboratories) phacoemulsification machines were measured with a device that isolated the phacoemulsification tip in a chamber connected to a pressure gauge. The 4 machines were tested at multiple vacuum limit settings, and the values were recorded after the foot pedal was fully depressed and the pressure had stabilized. The AdvanTec and Infiniti machines were tested with and without occlusion of the Aspiration Bypass System (ABS) side port (Alcon Laboratories). The Millennium machine was tested using venturi and peristaltic pumps. The machines generated pressures close to the expected at maximum vacuum settings between 100 mm Hg and 500 mm Hg with few intermachine variations. There was no significant difference between pressures generated using 19- or 20-gauge tips (Millennium and Sovereign). The addition of an ABS side port decreased vacuum by a mean of 12.1% (P < .0001). Although there were some variations in vacuum pressures among phacoemulsification machines, particularly when an aspiration bypass tip was used, these discrepancies are probably not clinically significant.

Physiological effects of the form of nitrogen on corn root tips: a 31P nuclear magnetic resonance study

International Nuclear Information System (INIS)

Andrade, F.H.; Anderson, I.C.

1986-01-01

Physiological effects of different N forms (NO − 3 , NH + 4 , or a combination of both) on corn (Zea mays L.) root tips and leaves were studied by following 31 P signals with a nuclear magnetic resonance spectrometer. With root tips, both cytoplasmic and vacuolar pH could be measured, whereas with leaves, only vacuolar pH could be determined. The N treatments did not affect the cytoplasmic pH of corn root tips in contrast to proposals of previous workers. Leaf vacuolar pH was higher and root tip vacuolar pH lower with NO − 3 than with NH + 4 . Under anaerobic conditions, cytoplasmic pH was reduced because of lactic acid fermentation. Nitrate, an electron acceptor, delayed the acidification of the cytoplasm compartment because it represents an alternative way to reoxidize NADH. In conclusion, for the conditions of these experiments, the pH of the cytoplasm of corn root tips was not modified by the form of N absorbed; however, the pH of this compartment was affected by the form of N presented during development anaerobiosi. (author)

Interfacial thermodynamics of water and six other liquid solvents.

Science.gov (United States)

Pascal, Tod A; Goddard, William A

2014-06-05

We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

Water radiolysis in a crack tip under gamma ray irradiation

International Nuclear Information System (INIS)

Satoh, Tomonori; Uchida, Shunsuke; Satoh, Yoshiyuki

2002-01-01

Under a non-irradiation condition, oxidant, e.g., O 2 and H 2 O 2 , in a crack tip is supplied from the bulk water. But under irradiation conditions, even if the diffusion of radiolytic species is not sufficient, direct radiolysis in the crack tip causes high concentrations of radiolytic species. As a result of measurements and Monte Carlo calculation of gamma ray energy deposition, it has been confirmed that the energy deposition rate in the gap water is larger than that in the bulk water. The energy absorption rate increases as the gap width decreases and reaches 1.3 times that in the bulk water. In order to evaluate crack propagation rate for irradiation assisted stress corrosion cracking (IASCC) of stainless steel, a water radiolysis model in a crevice is proposed. A larger energy deposition rate in the crevice water produces many more radiolytic species, which causes high oxidant concentrations in spite of enhanced recombination of the species at the crevice inner surface. So, for IASCC evaluation, crevice water chemistry plays an important role to determine the crack propagation rate under irradiation. (authors)

Tip model of cold fission

International Nuclear Information System (INIS)

Goennenwein, F.; Boersig, B.

1991-01-01

Cold fission is defined to be the limiting case of nuclear fission where virtually all of the available energy is converted into the total kinetic energy of the fragments. The fragments have, therefore, to be born in or at least close to their respective ground states. Starting from the viewpoint that cold fission corresponds to most compact scission configurations, energy constraints have been exploited to calculate minimum tip distances between the two nascent fragments in binary fission. Crucial input parameters to this tip model of cold fission are the ground-state deformations of fragment nuclei. It is shown that the minimum tip distances being compatible with energy conservation vary strongly with both the mass and charge fragmentation of the fission prone nucleus. The tip distances refer to nuclei with equivalent sharp surfaces. In keeping with the size of the surface width of leptodermous nuclei, only configurations where the tip distances are smaller than a few fm may be considered as valid scission configurations. From a comparison with experimental data on cold fission this critical tip distance appears to be 3.0 fm for the model parameters chosen. Whenever the model calculation yields tip distances being smaller than the critical value, a necessary condition for attaining cold fission is considered to be fulfilled. It is shown that this criterion allows to understand in fair agreement with experiment which mass fragmentations are susceptible to lead to cold fission and which fragment-charge divisions are the most favored in each isobaric mass chain. Being based merely on energy arguments, the model cannot aim at predicting fragment yields in cold fission. However, the tip model proposed appears well suited to delineate the phase space where cold fission phenomena may come into sight. (orig.)

PIXE analysis of mineral composition of alfalfa root-tip exposed to low pH or aluminum stress condition

International Nuclear Information System (INIS)

Yokota, Satoshi; Mae, Tadahiko; Ojima, Kunihiko; Ishii, Keizo.

1994-01-01

PIXE analysis was applied to study alteration of mineral composition (Al, P, K, and Cl) of alfalfa root-tip exposed to low pH or aluminum stress. These minerals were detectable using one or two pieces of root-tips. Short-term (within 4 h) decreases in K/P and Cl/P ratios were observed under low pH and aluminum stress conditions. However, degree of the decrease was not same. Differences in toxic effects of low pH and Al on the root-tip of alfalfa are discussed. (author)

Tip cell overtaking occurs as a side effect of sprouting in computational models of angiogenesis.

Science.gov (United States)

Boas, Sonja E M; Merks, Roeland M H

2015-11-21

During angiogenesis, the formation of new blood vessels from existing ones, endothelial cells differentiate into tip and stalk cells, after which one tip cell leads the sprout. More recently, this picture has changed. It has become clear that endothelial cells compete for the tip position during angiogenesis: a phenomenon named tip cell overtaking. The biological function of tip cell overtaking is not yet known. From experimental observations, it is unclear to what extent tip cell overtaking is a side effect of sprouting or to what extent it is regulated through a VEGF-Dll4-Notch signaling network and thus might have a biological function. To address this question, we studied tip cell overtaking in computational models of angiogenic sprouting in absence and in presence of VEGF-Dll4-Notch signaling. We looked for tip cell overtaking in two existing Cellular Potts models of angiogenesis. In these simulation models angiogenic sprouting-like behavior emerges from a small set of plausible cell behaviors. In the first model, cells aggregate through contact-inhibited chemotaxis. In the second model the endothelial cells assume an elongated shape and aggregate through (non-inhibited) chemotaxis. In both these sprouting models the endothelial cells spontaneously migrate forwards and backwards within sprouts, suggesting that tip cell overtaking might occur as a side effect of sprouting. In accordance with other experimental observations, in our simulations the cells' tendency to occupy the tip position can be regulated when two cell lines with different levels of Vegfr2 expression are contributing to sprouting (mosaic sprouting assay), where cell behavior is regulated by a simple VEGF-Dll4-Notch signaling network. Our modeling results suggest that tip cell overtaking can occur spontaneously due to the stochastic motion of cells during sprouting. Thus, tip cell overtaking and sprouting dynamics may be interdependent and should be studied and interpreted in combination. VEGF

Active control of the tip vortex: an experimental investigation on the performance characteristics of a model turbine

International Nuclear Information System (INIS)

Anik, E; Abdulrahim, A; Ostovan, Y; Mercan, B; Uzol, O

2014-01-01

This study is part of an on-going experimental research campaign that focuses on the active control of the tip leakage/vortex characteristics of a model horizontal axis wind turbine rotor using tip injection. This paper presents both baseline (no-injection) data as well as data with tip injection, concentrating on the effects of tip injection on power and thrust variations with the Tip Speed Ratio (TSR). The experiments are conducted by placing a specially designed 3-bladed model wind turbine rotor at the exit of a 1.7 m diameter open-jet wind tunnel. The rotor blades are non-linearly twisted and tapered with NREL S826 airfoil profile all along the span. The nacelle, hub and the blades are specifically designed to allow pressurized air to pass through and get injected from the blade tips while the rotor is rotating. Baseline results show that the general trends are as expected for a small wind turbine and the maximum power coefficient is reached at around TSR=4.5. Results with injection show that the tip injection has significant effect on the power and thrust coefficients in comparison to the baseline data, especially at TSR values higher than the max C P TSR value. Both coefficients seem to be significantly increased due to tip injection and the max C P TSR value also gets shifted to a slightly higher TSR value. Tip injection seems to have no significant effect for TSR values less than 3.5

The tipping point: A mathematical model for the profit-driven abandonment of restaurant tipping

Science.gov (United States)

Clifton, Sara M.; Herbers, Eileen; Chen, Jack; Abrams, Daniel M.

2018-02-01

The custom of voluntarily tipping for services rendered has gone in and out of fashion in America since its introduction in the 19th century. Restaurant owners that ban tipping in their establishments often claim that social justice drives their decisions, but we show that rational profit-maximization may also justify the decisions. Here, we propose a conceptual model of restaurant competition for staff and customers, and we show that there exists a critical conventional tip rate at which restaurant owners should eliminate tipping to maximize profits. Because the conventional tip rate has been increasing steadily for the last several decades, our model suggests that restaurant owners may abandon tipping en masse when that critical tip rate is reached.

More accurate X-ray scattering data of deeply supercooled bulk liquid water

Energy Technology Data Exchange (ETDEWEB)

Neuefeind, Joerg C [ORNL; Benmore, Chris J [Argonne National Laboratory (ANL); Weber, Richard [Argonne National Laboratory (ANL); Paschek, Dietmar [Rostock University, Rostock, Germany

2011-01-01

Deeply supercooled water droplets held container-less in an acoustic levitator are investigated with high energy X-ray scattering. The temperature dependence X-ray structure function is found to be non-linear. Comparison with two popular computer models reveals that structural changes are predicted too abrupt by the TIP5P model, while the rate of change predicted by TIP4P is in much better agreement with experiment. The abrupt structural changes predicted by the TIP5P model to occur in the temperature range between 260-240K as water approaches the homogeneous nucleation limit are unrealistic. Both models underestimate the distance between neighbouring oxygen atoms and overestimate the sharpness of the OO distance distribution, indicating that the strength of the H-bond is overestimated in these models.

The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Methanol-water case

Science.gov (United States)

Obeidat, Abdalla; Abu-Ghazleh, Hind

2018-06-01

Two intermolecular potential models of methanol (TraPPE-UA and OPLS-AA) have been used in order to examine their validity in reproducing the selected structural, dynamical, and thermodynamic properties in the unary and binary systems. These two models are combined with two water models (SPC/E and TIP4P). The temperature dependence of density, surface tension, diffusion and structural properties for the unary system has been computed over specific range of temperatures (200-300K). The very good performance of the TraPPE-UA potential model in predicting surface tension, diffusion, structure, and density of the unary system led us to examine its accuracy and performance in its aqueous solution. In the binary system the same properties were examined, using different mole fractions of methanol. The TraPPE-UA model combined with TIP4P-water shows a very good agreement with the experimental results for density and surface tension properties; whereas the OPLS-AA combined with SPCE-water shows a very agreement with experimental results regarding the diffusion coefficients. Two different approaches have been used in calculating the diffusion coefficient in the mixture, namely the Einstein equation (EE) and Green-Kubo (GK) method. Our results show the advantageous of applying GK over EE in reproducing the experimental results and in saving computer time.

Control of the Water Transport Activity of Barley HvTIP3;1 Specifically Expressed in Seeds.

Science.gov (United States)

Utsugi, Shigeko; Shibasaka, Mineo; Maekawa, Masahiko; Katsuhara, Maki

2015-09-01

Tonoplast intrinsic proteins (TIPs) are involved in the transport and storage of water, and control intracellular osmotic pressure by transporting material related to the water potential of cells. In the present study, we focused on HvTIP3;1 during the periods of seed development and desiccation in barley. HvTIP3;1 was specifically expressed in seeds. An immunochemical analysis showed that HvTIP3;1 strongly accumulated in the aleurone layers and outer layers of barley seeds. The water transport activities of HvTIP3;1 and HvTIP1;2, which also accumulated in seeds, were measured in the heterologous expression system of Xenopus oocytes. When they were expressed individually, HvTIP1;2 transported water, whereas HvTIP3;1 did not. However, HvTIP3;1 exhibited water transport activity when co-expressed with HvTIP1;2 in oocytes, and this activity was higher than when HvTIP1;2 was expressed alone. This is the first report to demonstrate that the water permeability of a TIP aquaporin was activated when co-expressed with another TIP. The split-yellow fluorescent protein (YFP) system in onion cells revealed that HvTIP3;1 interacted with HvTIP1;2 to form a heterotetramer in plants. These results suggest that HvTIP3;1 functions as an active water channel to regulate water movement through tissues during the periods of seed development and desiccation. © The Author 2015. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Water structure as a function of temperature from X-ray scatteringexperiments and ab initio molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Hura, Greg; Russo, Daniela; Glaeser, Robert M.; Head-Gordon,Teresa; Krack, Matthias; Parrinello, Michele

2003-03-01

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. The simulation of the experimental intensity is therefore definitive for determining radial distribution functions over a smaller Q-range. We find that the TIP4P, TIP5P and polarizable TIP4P-Pol2 water models, with DFT-LDA densities, show very good agreement with the experimental intensities, and TIP4P-Pol2 in particular shows quantitative agreement over the full temperature range. The resulting radial distribution functions from TIP4P-Pol2 provide the current best benchmarks for real-space water structure over the biologically relevant temperature range studied here.

Coarse-Grained Model for Water Involving a Virtual Site.

Science.gov (United States)

Deng, Mingsen; Shen, Hujun

2016-02-04

In this work, we propose a new coarse-grained (CG) model for water by combining the features of two popular CG water models (BMW and MARTINI models) as well as by adopting a topology similar to that of the TIP4P water model. In this CG model, a CG unit, representing four real water molecules, consists of a virtual site, two positively charged particles, and a van der Waals (vdW) interaction center. Distance constraint is applied to the bonds formed between the vdW interaction center and the positively charged particles. The virtual site, which carries a negative charge, is determined by the locations of the two positively charged particles and the vdW interaction center. For the new CG model of water, we coined the name "CAVS" (charge is attached to a virtual site) due to the involvment of the virtual site. After being tested in molecular dynamic (MD) simulations of bulk water at various time steps, under different temperatures and in different salt (NaCl) concentrations, the CAVS model offers encouraging predictions for some bulk properties of water (such as density, dielectric constant, etc.) when compared to experimental ones.

Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics

International Nuclear Information System (INIS)

Hura, Greg; Russo, Daniela; Glaeser, Robert M.; Head-Gordon, Teresa; Krack, Matthias; Parrinello, Michele

2003-01-01

We present high-quality X-ray scattering experiments on pure water taken over a temperature range of 2 to 77 C using a synchrotron beam line at the advanced light source (ALS) at Lawrence Berkeley National Laboratory. The ALS X-ray scattering intensities are qualitatively different in trend of maximum intensity over this temperature range compared to older X-ray experiments. While the common procedure is to report both the intensity curve and radial distribution function(s), the proper extraction of the real-space pair correlation functions from the experimental scattering is very difficult due to uncertainty introduced in the experimental corrections, the proper weighting of OO, OH, and HH contributions, and numerical problems of Fourier transforming truncated data in Q-space. Instead, we consider the direct calculation of X-ray scattering spectra using electron densities derived from density functional theory based on real-space configurations generated with classical water models. The simulation of the experimental intensity is therefore definitive for determining radial distribution functions over a smaller Q-range. We find that the TIP4P, TIP5P and polarizable TIP4P-Pol2 water models, with DFT-LDA densities, show very good agreement with the experimental intensities, and TIP4P-Pol2 in particular shows quantitative agreement over the full temperature range. The resulting radial distribution functions from TIP4P-Pol2 provide the current best benchmarks for real-space water structure over the biologically relevant temperature range studied here

The effect of full coverage winglets on tip leakage aerodynamics over the plane tip in a turbine cascade

International Nuclear Information System (INIS)

Lee, Sang Woo; Cheon, Joo Hong; Zhang, Qiang

2014-01-01

Highlights: • The effect of full coverage (FC) winglets on tip leakage aerodynamics is tested. • A qualitative tip gap flow model for the FC winglet is suggested. • The FC winglet of w/p = 10.55% is considered an optimal one for the plane tip. -- Abstract: The effect of full coverage (FC) winglets on tip leakage aerodynamics over the plane tip in a turbine cascade has been investigated with the variation of winglet width (w) up to w/p = 15.83% for a tip gap-to-span (chord) ratio of h/s = 1.36% (h/c = 2.0%). A qualitative tip gap flow model for the FC winglet is suggested on the bases of the near-tip surface flow visualizations. As w/p increases, the passage vortex tends to be weakened meanwhile the tip leakage vortex becomes stronger and wall-jet-like. With an increment of w/p, the mass-averaged aerodynamic loss all over the measurement plane decreases steeply up to w/p = 10.55% and then becomes almost unchanged. Thus, the FC winglet of w/p = 10.55% is considered an optimal one for the plane tip. With respect to the baseline plane tip without winglet, the maximum mass-averaged loss reduction by installing the FC winglet on the plane tip is still somewhat smaller than that by employing the cavity squealer rim on the plane tip surface

Parametrization of 2,2,2-trifluoroethanol based on the generalized AMBER force field provides realistic agreement between experimental and calculated properties of pure liquid as well as water-mixed solutions.

Science.gov (United States)

Vymětal, Jiří; Vondrášek, Jiří

2014-09-04

We present a novel force field model of 2,2,2-trifluoroethanol (TFE) based on the generalized AMBER force field. The model was exhaustively parametrized to reproduce liquid-state properties of pure TFE, namely, density, enthalpy of vaporization, self-diffusion coefficient, and population of trans and gauche conformers. The model predicts excellently other liquid-state properties such as shear viscosity, thermal expansion coefficient, and isotropic compressibility. The resulting model describes unexpectedly well the state equation of the liquid region in the range of 100 K and 10 MPa. More importantly, the proposed TFE model was optimized for use in combination with the TIP4P/Ew and TIP4P/2005 water models. It does not manifest excessive aggregation, which is known for other models, and therefore, it is supposed to more realistically describe the behavior of TFE/water mixtures. This was demonstrated by means of the Kirkwood-Buff theory of solutions and reasonable agreement with experimental data. We explored a considerable part of the parameter space and systematically tested individual combinations of parameters for performance in combination with the TIP4P/Ew and TIP4P/2005 water models. We observed ambiguity in parameters describing pure liquid TFE; however, most of them failed for TFE/water mixtures. We clearly demonstrated the necessity for balanced TFE-TFE, TFE-water, and water-water interactions which can be acquired only by employing implicit polarization correction in the course of parametrization.

Accuracy limit of rigid 3-point water models

Science.gov (United States)

Izadi, Saeed; Onufriev, Alexey V.

2016-08-01

Classical 3-point rigid water models are most widely used due to their computational efficiency. Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, 3863 (2014)], which permits a virtually exhaustive search for globally optimal model parameters in the sub-space that is most relevant to the electrostatic properties of the water molecule in liquid phase. Here we apply the approach to develop a 3-point Optimal Point Charge (OPC3) water model. OPC3 is significantly more accurate than the commonly used water models of same class (TIP3P and SPCE) in reproducing a comprehensive set of liquid bulk properties, over a wide range of temperatures. Beyond bulk properties, we show that OPC3 predicts the intrinsic charge hydration asymmetry (CHA) of water — a characteristic dependence of hydration free energy on the sign of the solute charge — in very close agreement with experiment. Two other recent 3-point rigid water models, TIP3PFB and H2ODC, each developed by its own, completely different optimization method, approach the global accuracy optimum represented by OPC3 in both the parameter space and accuracy of bulk properties. Thus, we argue that an accuracy limit of practical 3-point rigid non-polarizable models has effectively been reached; remaining accuracy issues are discussed.

Ablation characteristics of boding liver according to cool-tip temperature of RFA equipment

Energy Technology Data Exchange (ETDEWEB)

Choi, Young Jae [Dept. of Radiology, Seoul National University Hospital, Seoul (Korea, Republic of); Kim, Jeong Koo [Dept. of Radiological Science, Hanseo University, Seosan (Korea, Republic of)

2015-06-15

This study confirmed the correlation between the change of the cooling water in internal cooling system and the size of the ablation site of bovine liver in RF heat treatment equipment. The bovine liver was resection with 4 x 4 x 4 cm{sup 3} in 2 cm cool-tip and with 6 x 6 x 6 cm{sup 3} in 3 cm cool-tip for the experiments. Area and perimeter of the ablation site for bovine liver were measured by Freehand techniques of MRI. It showed area and perimeter decreased during cool-tip temperature rises 6 and 12 minutes ablation using a 2 cm and 3 cm cool-tip. The correlation of cool-tip temperature and area and perimeter was statistically significant the result are shown (p=.000). The measurements of area and perimeter were more accurate with MRI in actual measurements and MRI for ablation range. The statistical results using Paired sample T-test was also significant (p=.038). The ablation range of bovine liver decreased according as cooling water temperature increases in RF heat treatment equipment for reason of carbonization occurred due to does not accurately pass the RF energy. Therefore, it is considered the effect of RF heat treatment would be increased if the temperature of the cooling water consistently maintain the low temperature in order to reduce the generation of carbide at RF heat treatment and RF energy is delivered accurately.

Ablation characteristics of boding liver according to cool-tip temperature of RFA equipment

International Nuclear Information System (INIS)

Choi, Young Jae; Kim, Jeong Koo

2015-01-01

This study confirmed the correlation between the change of the cooling water in internal cooling system and the size of the ablation site of bovine liver in RF heat treatment equipment. The bovine liver was resection with 4 x 4 x 4 cm"3 in 2 cm cool-tip and with 6 x 6 x 6 cm"3 in 3 cm cool-tip for the experiments. Area and perimeter of the ablation site for bovine liver were measured by Freehand techniques of MRI. It showed area and perimeter decreased during cool-tip temperature rises 6 and 12 minutes ablation using a 2 cm and 3 cm cool-tip. The correlation of cool-tip temperature and area and perimeter was statistically significant the result are shown (p=.000). The measurements of area and perimeter were more accurate with MRI in actual measurements and MRI for ablation range. The statistical results using Paired sample T-test was also significant (p=.038). The ablation range of bovine liver decreased according as cooling water temperature increases in RF heat treatment equipment for reason of carbonization occurred due to does not accurately pass the RF energy. Therefore, it is considered the effect of RF heat treatment would be increased if the temperature of the cooling water consistently maintain the low temperature in order to reduce the generation of carbide at RF heat treatment and RF energy is delivered accurately

Electrochemical and safety characteristics of TiP2O7–graphene nanocomposite anode for rechargeable lithium-ion batteries

International Nuclear Information System (INIS)

Rai, Alok Kumar; Gim, Jihyeon; Song, Jinju; Mathew, Vinod; Anh, Ly Tuan; Kim, Jaekook

2012-01-01

This paper reports a co-precipitation synthesis of TiP 2 O 7 –graphene (10 wt%) nanocomposite and pure TiP 2 O 7 nanoparticles for the use as an advanced anode material for high performance lithium-ion batteries. The structure and morphology of the compounds are characterized by powder X-ray diffraction, field-emission scanning electron microscopy and field-emission transmission electron microscopy techniques. The electrochemical performances were evaluated in coin type Li-ion test cells. This TiP 2 O 7 –graphene nanocomposite displayed superior Li-ion battery performance with a large reversible capacity, excellent cyclic performance and good rate capability at a current density of 0.1 mA cm −2 . At an elevated current density of 6.4 mA cm −2 , the nanocomposite anode delivered a capacity of 98.4 mAh g −1 , which is much higher than that of pure TiP 2 O 7 (0.56 mAh g −1 ). The impressive electrochemical performance of the nanocomposite was ascribed to the synergistic effect of the high surface area nanoparticles in conjunction with the good electronic conductivity of graphene. The graphene nanosheets not only provide an electronically conducting network, but also tend to prevent the aggregation of the high surface area TiP 2 O 7 nanoparticles. Further, the graphene nanosheets can act as buffer layers to accommodate the volume change during the Li-ion insertion/extraction processes in the TiP 2 O 7 nanoparticles.

The phase diagram of water at negative pressures: virtual ices.

Science.gov (United States)

Conde, M M; Vega, C; Tribello, G A; Slater, B

2009-07-21

The phase diagram of water at negative pressures as obtained from computer simulations for two models of water, TIP4P/2005 and TIP5P is presented. Several solid structures with lower densities than ice Ih, so-called virtual ices, were considered as possible candidates to occupy the negative pressure region of the phase diagram of water. In particular the empty hydrate structures sI, sII, and sH and another, recently proposed, low-density ice structure. The relative stabilities of these structures at 0 K was determined using empirical water potentials and density functional theory calculations. By performing free energy calculations and Gibbs-Duhem integration the phase diagram of TIP4P/2005 was determined at negative pressures. The empty hydrates sII and sH appear to be the stable solid phases of water at negative pressures. The phase boundary between ice Ih and sII clathrate occurs at moderate negative pressures, while at large negative pressures sH becomes the most stable phase. This behavior is in reasonable agreement with what is observed in density functional theory calculations.

Improvement of Transdermal Delivery of Exendin-4 Using Novel Tip-Loaded Microneedle Arrays Fabricated from Hyaluronic Acid.

Science.gov (United States)

Liu, Shu; Wu, Dan; Quan, Ying-Shu; Kamiyama, Fumio; Kusamori, Kosuke; Katsumi, Hidemasa; Sakane, Toshiyasu; Yamamoto, Akira

2016-01-04

The purpose of this study was to evaluate the characteristics of exendin-4 tip-loaded microneedle arrays and to compare their acute efficacy with subcutaneous injections in type 2 diabetic GK/Slc rats. Fluorescein isothiocyanate labeled dextran with an average molecular weight of 4,000 (FD4) was selected as a model drug, and FD4 tip-loaded microneedle arrays were prepared in this study. In addition, intraperitoneal glucose tolerance tests after application of exendin-4 tip-loaded microneedle arrays were also compared with those after subcutaneous injection in type 2 diabetic GK/Slc rats. The release of FD4 from the tip-loaded microneedle arrays was very rapid, particularly in the initial 30 s, and most of the FD4 was released within 5 min. In addition, glucose tolerance was improved and the insulin secretion was enhanced after application of exendin-4 tip-loaded microneedle arrays, and these effects were comparable to those after subcutaneous injection of exendin-4. Similar plasma concentration profiles were seen after application of exendin-4 tip-loaded microneedle arrays, as was the case with subcutaneous injection in type 2 diabetic GK/Slc rats. These findings indicate that exendin-4 tip-loaded microneedle arrays can be used as an alternative to achieve sufficient delivery of exendin-4 for treatment of type 2 diabetes. To our knowledge, this is the first report of transdermal exendin-4 delivery using tip-loaded microneedle arrays.

Phosphorylation of Tip60 by GSK-3 determines the induction of PUMA and apoptosis by p53

Science.gov (United States)

Charvet, Céline; Wissler, Manuela; Brauns-Schubert, Prisca; Wang, Shang-Jui; Tang, Yi; Sigloch, Florian C.; Mellert, Hestia; Brandenburg, Martin; Lindner, Silke E.; Breit, Bernhard; Green, Douglas R.; McMahon, Steven B.; Borner, Christoph; Gu, Wei; Maurer, Ulrich

2011-01-01

Summary Activation of p53 by DNA damage results in either cell cycle arrest, allowing DNA repair and cell survival, or induction of apoptosis. As these opposite outcomes are both mediated by p53 stabilization, additional mechanisms to determine this decision must exist. Here we show that glycogen synthase kinase-3 (GSK-3) is required for the p53-mediated induction of the pro-apoptotic BH3 only-protein PUMA, an essential mediator of p53-induced apoptosis. Inhibition of GSK-3 protected from cell death induced by DNA damage and promoted increased long-term cell survival. We demonstrate that GSK-3 phosphorylates serine 86 of the p53-acetyltransferase Tip60. A Tip60S86A mutant was less active to induce p53 K120 acetylation, Histone 4 acetylation and expression of PUMA. Our data suggest that GSK-3 mediated Tip60S86-phosphorylation provides a link between PI3K signaling and the choice for or against apoptosis induction by p53. PMID:21658600

Modeling of Electronic Transport in Scanning Tunneling Microscope Tip-Carbon Nanotube Systems

Science.gov (United States)

Yamada, Toshishige; Kwak, Dochan (Technical Monitor)

2000-01-01

A model is proposed for two observed current-voltage (I-V) patterns in a recent experiment with a scanning tunneling microscope tip and a carbon nanotube. We claim that there are two mechanical contact modes for a tip (metal) -nanotube (semiconductor) junction (1) with or (2) without a tiny vacuum gap (0.1 - 0.2 nm). With the tip grounded, the tunneling case in (1) would produce large dI/dV with V > 0, small dI/dV with V < 0, and I = 0 near V = 0 for an either n- or p-nanotube; the Schottky mechanism in (2) would result in I does not equal 0 only with V < 0 for an n-nanotube, and the bias polarities would be reversed for a p-nanotube. The two observed I-V patterns are thus entirely explained by a tip-nanotube contact of the two types, where the nanotube must be n-type.

Molecular-based Equation of State for TIP4P Water

Czech Academy of Sciences Publication Activity Database

Jirsák, Jan; Nezbeda, Ivo

2007-01-01

Roč. 136, č. 3 (2007), s. 310-316 ISSN 0167-7322 R&D Projects: GA AV ČR 1ET400720409; GA AV ČR IAA4072303 Institutional research plan: CEZ:AV0Z40720504 Keywords : equation of state * perturbation theory * primitive models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.982, year: 2007

Comparison of actual vacuum pressures at the end of 3 phacoemulsification tips in swine eyes.

Science.gov (United States)

Park, Sang Hoon; Choi, Chul Young; Kim, Joon Mo; Chang, Hae Ran; Kim, Jae Yong; Kim, Myoung Joon; Tchah, Hungwon; Kim, Jae Chan

2009-05-01

To compare the actual vacuum pressure at the end of an aspiration bypass system (ABS) phaco tip and a conventional tip in conditions similar to those during human cataract surgery. Kangbuk Samsung Hospital, Seoul, Korea. A 4.0 mm diameter rubber eraser ball was inserted in a phacoemulsified swine eye and engaged to a phaco tip. With a vacuum pressure of 300 mm Hg, the eraser ball was pulled in the opposite direction with the phaco tip. The pulling power separating the eraser ball from the phaco tip was measured using the volume of water dripped into a container connected to the eraser ball. Measurements were taken with an Infiniti ABS tip and 2 conventional tips: Sovereign (conventional tip S) and Infiniti (conventional tip I). Measurements were taken alternatively at random in the same eye. The mean pulling power was 17.35 mL +/- 5.01 (SD) with conventional tip S and 16.85 +/- 4.45 mL with conventional tip I. The mean pulling power of the ABS tip was 13.35 +/- 4.32 mL, which was a mean 20.8% lower than that of conventional tip I (P = .016) and 23.1% lower than that of conventional tip S (P = .010). The actual vacuum pressure of the phaco tip was significantly influenced by the presence of the ABS hole. To compensate for the decrease in actual vacuum pressure, surgeons should be aware of the characteristics of the ABS tip being used and change the standard settings accordingly.

pKa Determination of water-soluble calix[4]arenes

NARCIS (Netherlands)

Shinkai, Seiji; Araki, Koji; Grootenhuis, P.D.J.; Reinhoudt, David

1991-01-01

Neutral, water-soluble 5,11,17,23-tetrakis[bis-(2-hydroxyethyl)aminosulphonyl]calix[4]arene-25,26,27,28-tetraol and 5,11,17,23-tetranitrocalix[4]arene-25,26,27,28-tetraol have been synthesized and the pKa values of the OH groups determined in an aqueous system.

Probing colloidal forces between a Si3N4 AFM tip and single nanoparticles of silica and alumina.

Science.gov (United States)

Drelich, J; Long, J; Xu, Z; Masliyah, J; White, C L

2006-11-15

The atomic force microscope (AFM) has been used to measure surface forces between silicon nitride AFM tips and individual nanoparticles deposited on substrates in 10(-4) and 10(-2) M KCl solutions. Silica nanoparticles (10 nm diameter) were deposited on an alumina substrate and alumina particles (5 to 80 nm diameter) were deposited on a mica substrate using aqueous suspensions. Ionic concentrations and pH were used to manage attractive substrate-particle electrostatic forces. The AFM tip was located on deposited nanoparticles using an operator controlled offset to achieve stepwise tip movements. Nanoparticles were found to have a negligible effect on long-range tip-substrate interactions, however, the forces between the tip and nanoparticle were detectable at small separations. Exponentially increasing short-range repulsive forces, attributed to the hydration forces, were observed for silica nanoparticles. The effective range of hydration forces was found to be 2-3 nm with the decay length of 0.8-1.3 nm. These parameters are in a good agreement with the results reported for macroscopic surfaces of silica obtained using the surface force apparatus suggesting that hydration forces for the silica nanoparticles are similar to those for flat silica surfaces. Hydration forces were not observed for either alumina substrates or alumina nanoparticles in both 10(-4) M KCl solution at pH 6.5 and 10(-2) M KCl at pH 10.2. Instead, strong attractive forces between the silicon nitride tip and the alumina (nanoparticles and substrate) were observed.

Free Energy Landscapes of Alanine Oligopeptides in Rigid-Body and Hybrid Water Models.

Science.gov (United States)

Nayar, Divya; Chakravarty, Charusita

2015-08-27

Replica exchange molecular dynamics is used to study the effect of different rigid-body (mTIP3P, TIP4P, SPC/E) and hybrid (H1.56, H3.00) water models on the conformational free energy landscape of the alanine oligopeptides (acAnme and acA5nme), in conjunction with the CHARMM22 force field. The free energy landscape is mapped out as a function of the Ramachandran angles. In addition, various secondary structure metrics, solvation shell properties, and the number of peptide-solvent hydrogen bonds are monitored. Alanine dipeptide is found to have similar free energy landscapes in different solvent models, an insensitivity which may be due to the absence of possibilities for forming i-(i + 4) or i-(i + 3) intrapeptide hydrogen bonds. The pentapeptide, acA5nme, where there are three intrapeptide backbone hydrogen bonds, shows a conformational free energy landscape with a much greater degree of sensitivity to the choice of solvent model, though the three rigid-body water models differ only quantitatively. The pentapeptide prefers nonhelical, non-native PPII and β-sheet populations as the solvent is changed from SPC/E to the less tetrahedral liquid (H1.56) to an LJ-like liquid (H3.00). The pentapeptide conformational order metrics indicate a preference for open, solvent-exposed, non-native structures in hybrid solvent models at all temperatures of study. The possible correlations between the properties of solvent models and secondary structure preferences of alanine oligopeptides are discussed, and the competition between intrapeptide, peptide-solvent, and solvent-solvent hydrogen bonding is shown to be crucial in the relative free energies of different conformers.

Structure and dynamics of the peptide strand KRFK from the thrombospondin TSP-1 in water.

Science.gov (United States)

Taleb Bendiab, W; Benomrane, B; Bounaceur, B; Dauchez, M; Krallafa, A M

2018-02-14

Theoretical investigations of a solute in liquid water at normal temperature and pressure can be performed at different levels of theory. Static quantum calculations as well as classical and ab initio molecular dynamics are used to completely explore the conformational space for large solvated molecular systems. In the classical approach, it is essential to describe all of the interactions of the solute and the solvent in detail. Water molecules are very often described as rigid bodies when the most commonly used interaction potentials, such as the SPCE and the TIP4P models, are employed. Recently, a physical model based upon a cluster of rigid water molecules with a tetrahedral architecture (AB 4 ) was proposed that describes liquid water as a mixture of both TIP4P and SPCE molecular species that occur in the proportions implied by the tetrahedral architecture (one central molecule versus four outer molecules; i.e., 20% TIP4P versus 80% SPCE molecules). In this work, theoretical spectroscopic data for a peptide strand were correlated with the structural properties of the peptide strand solvated in water, based on data calculated using different theoretical approaches and physical models. We focused on a particular peptide strand, KRFK (lysine-arginine-phenylalanine-lysine), found in the thrombospondin TSP-1, due to its interesting properties. As the activity and electronic structure of this system is strongly linked to its structure, we correlated its structure with charge-density maps obtained using different semi-empirical charge Q eq equations. The structural and thermodynamic properties obtained from classical simulations were correlated with ab initio molecular dynamics (AIMD) data. Structural changes in the peptide strand were rationalized in terms of the motions of atoms and groups of atoms. To achieve this, conformational changes were investigated using calculated infrared spectra for the peptide in the gas phase and in water solvent. The calculated AIMD

A numerical study on the behavior of the water meniscus formed between a flat surface and a flat or circular tip

Energy Technology Data Exchange (ETDEWEB)

Son, Sung Wan; Ha, Man Yeong; Yoon, Hyun Sik; Kim, Chang Min [Pusan National University, Busan (Korea, Republic of); Kim, Sang Sun [Korea Aerospace Industries, Sacheon (Korea, Republic of)

2014-04-15

We numerically investigated the behavior of the water meniscus formed between a flat surface and a tip surface, which is flat or circular in shape, using the lattice Boltzmann method (LBM). The shape of the water meniscus formed between the flat bottom surface and the tip surface depends on the tip shape and the interaction between the water meniscus and the bottom or tip surface. The interaction is determined by the contact angles of the bottom and tip surfaces, resulting in different contact lengths between the water meniscus and the bottom or tip surface. The difference in these contact lengths depends on the effects of both the tip curvature and the interaction between the water meniscus and the bottom or tip surface. We classified the shapes of the water meniscus into seven different patterns as a function of the contact angles of the flat bottom and tip surfaces: concave, semi-concave, inverse semi-concave, column, convex, semiconvex, and inverse semi-convex.

A numerical study on the behavior of the water meniscus formed between a flat surface and a flat or circular tip

International Nuclear Information System (INIS)

Son, Sung Wan; Ha, Man Yeong; Yoon, Hyun Sik; Kim, Chang Min; Kim, Sang Sun

2014-01-01

We numerically investigated the behavior of the water meniscus formed between a flat surface and a tip surface, which is flat or circular in shape, using the lattice Boltzmann method (LBM). The shape of the water meniscus formed between the flat bottom surface and the tip surface depends on the tip shape and the interaction between the water meniscus and the bottom or tip surface. The interaction is determined by the contact angles of the bottom and tip surfaces, resulting in different contact lengths between the water meniscus and the bottom or tip surface. The difference in these contact lengths depends on the effects of both the tip curvature and the interaction between the water meniscus and the bottom or tip surface. We classified the shapes of the water meniscus into seven different patterns as a function of the contact angles of the flat bottom and tip surfaces: concave, semi-concave, inverse semi-concave, column, convex, semiconvex, and inverse semi-convex

Investigation of Turbulent Tip Leakage Vortex in an Axial Water Jet Pump with Large Eddy Simulation

Science.gov (United States)

Hah, Chunill; Katz, Joseph

2012-01-01

Detailed steady and unsteady numerical studies were performed to investigate tip clearance flow in an axial water jet pump. The primary objective is to understand physics of unsteady tip clearance flow, unsteady tip leakage vortex, and cavitation inception in an axial water jet pump. Steady pressure field and resulting steady tip leakage vortex from a steady flow analysis do not seem to explain measured cavitation inception correctly. The measured flow field near the tip is unsteady and measured cavitation inception is highly transient. Flow visualization with cavitation bubbles shows that the leakage vortex is oscillating significantly and many intermittent vortex ropes are present between the suction side of the blade and the tip leakage core vortex. Although the flow field is highly transient, the overall flow structure is stable and a characteristic frequency seems to exist. To capture relevant flow physics as much as possible, a Reynolds-averaged Navier-Stokes (RANS) calculation and a Large Eddy Simulation (LES) were applied for the current investigation. The present study reveals that several vortices from the tip leakage vortex system cross the tip gap of the adjacent blade periodically. Sudden changes in local pressure field inside tip gap due to these vortices create vortex ropes. The instantaneous pressure filed inside the tip gap is drastically different from that of the steady flow simulation. Unsteady flow simulation which can calculate unsteady vortex motion is necessary to calculate cavitation inception accurately even at design flow condition in such a water jet pump.

Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

Energy Technology Data Exchange (ETDEWEB)

Bresme, F., E-mail: f.bresme@imperial.ac.uk [Chemical Physics Section, Department of Chemistry, Imperial College, London SW7 2AZ, United Kingdom and Department of Chemistry, Norwegian University of Science and Technology, Trondheim 7491 (Norway); Biddle, J. W.; Sengers, J. V.; Anisimov, M. A. [Institute for Physical Science and Technology, and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

2014-04-28

We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures.

Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study

International Nuclear Information System (INIS)

Bresme, F.; Biddle, J. W.; Sengers, J. V.; Anisimov, M. A.

2014-01-01

We report the results of a computer simulation study of the thermodynamic properties and the thermal conductivity of supercooled water as a function of pressure and temperature using the TIP4P-2005 water model. The thermodynamic properties can be represented by a two-structure equation of state consistent with the presence of a liquid-liquid critical point in the supercooled region. Our simulations confirm the presence of a minimum in the thermal conductivity, not only at atmospheric pressure, as previously found for the TIP5P water model, but also at elevated pressures. This anomalous behavior of the thermal conductivity of supercooled water appears to be related to the maximum of the isothermal compressibility or the minimum of the speed of sound. However, the magnitudes of the simulated thermal conductivities are sensitive to the water model adopted and appear to be significantly larger than the experimental thermal conductivities of real water at low temperatures

pHis 317 Pro Mutasyonu Saptanmış Bir Mody Tip 2 Olgusu

OpenAIRE

BİNİCİ, Doğan Nasır; TİMUR, Özge; TURHAN, Aykut; ŞENYİĞİT2, Abdülhalim; FİLİZ, Murat; KİPER, Tuğba

2017-01-01

Genç yaşta ortaya çıkan erişkin tip diyabet [Maturity- onset Diabetes of the Young (MODY)], otozomal dominant kalıtılan nadir bir diyabet türüdür. Tüm diyabet olgularının %1-2’sini oluşturur. MODY tip diyabet olgularının çoğunluğu yanlışlıkla tip 1 veya tip 2 diyabet tanısı almaktadır. Birçok tipi tanımlanmasına rağmen glukokinaz mutasyonu ile meydana gelen MODY tip 2 daha sık görülmektedir. Bu vaka sunumunda daha önce rastlanmamış bir mutasyon, pHis 317 Pro mutasyonu saptanmış MODY tip 2 olg...

Microporous Carbon Spheres Solid Phase Membrane Tip Extraction for the Analysis of Nitrosamines in Water Samples

International Nuclear Information System (INIS)

Mohammed Salisu Musa; Wan Aini Wan Ibrahim

2015-01-01

A simple solid phase membrane tip extraction (SPMTE) utilizing microporous carbon spheres (MCS) was developed for the analysis of nitrosamines in aqueous samples. The method termed MCS-SPMTE was optimized for various important extraction parameters namely conditioning organic solvent, extraction time, effects of salt addition and pH change, desorption time, desorption solvent and sample volume. Under the optimized conditions, the method indicated good linearity in the range of 10-100 μg/ L with coefficients of determination, r 2 ≥0.9984. The method also demonstrated good reproducibility with % RSDs values ranging from 2.2 - 8.9 (n = 3). Limit of detection (LOD) and limit of quantification (LOQ) for the method ranged from 3.2 - 4.8 μg/ L and 10.9 - 15.9 μg/L respectively. Recoveries for both tap-water and lake water samples spiked at 10 μg/L were in the range of 83.2 - 107.5 %. (author)

Measuring water and sediment discharge from a road plot with a settling basin and tipping bucket

Science.gov (United States)

Thomas A. Black; Charles H. Luce

2013-01-01

A simple empirical method quantifies water and sediment production from a forest road surface, and is well suited for calibration and validation of road sediment models. To apply this quantitative method, the hydrologic technician installs bordered plots on existing typical road segments and measures coarse sediment production in a settling tank. When a tipping bucket...

Are our dynamic water quality models too complex? A comparison of a new parsimonious phosphorus model, SimplyP, and INCA-P

Science.gov (United States)

Jackson-Blake, L. A.; Sample, J. E.; Wade, A. J.; Helliwell, R. C.; Skeffington, R. A.

2017-07-01

Catchment-scale water quality models are increasingly popular tools for exploring the potential effects of land management, land use change and climate change on water quality. However, the dynamic, catchment-scale nutrient models in common usage are complex, with many uncertain parameters requiring calibration, limiting their usability and robustness. A key question is whether this complexity is justified. To explore this, we developed a parsimonious phosphorus model, SimplyP, incorporating a rainfall-runoff model and a biogeochemical model able to simulate daily streamflow, suspended sediment, and particulate and dissolved phosphorus dynamics. The model's complexity was compared to one popular nutrient model, INCA-P, and the performance of the two models was compared in a small rural catchment in northeast Scotland. For three land use classes, less than six SimplyP parameters must be determined through calibration, the rest may be based on measurements, while INCA-P has around 40 unmeasurable parameters. Despite substantially simpler process-representation, SimplyP performed comparably to INCA-P in both calibration and validation and produced similar long-term projections in response to changes in land management. Results support the hypothesis that INCA-P is overly complex for the study catchment. We hope our findings will help prompt wider model comparison exercises, as well as debate among the water quality modeling community as to whether today's models are fit for purpose. Simpler models such as SimplyP have the potential to be useful management and research tools, building blocks for future model development (prototype code is freely available), or benchmarks against which more complex models could be evaluated.

Polymeric ionic liquid-based portable tip microextraction device for on-site sample preparation of water samples.

Science.gov (United States)

Chen, Lei; Pei, Junxian; Huang, Xiaojia; Lu, Min

2018-06-05

On-site sample preparation is highly desired because it avoids the transportation of large-volume samples and ensures the accuracy of the analytical results. In this work, a portable prototype of tip microextraction device (TMD) was designed and developed for on-site sample pretreatment. The assembly procedure of TMD is quite simple. Firstly, polymeric ionic liquid (PIL)-based adsorbent was in-situ prepared in a pipette tip. After that, the tip was connected with a syringe which was driven by a bidirectional motor. The flow rates in adsorption and desorption steps were controlled accurately by the motor. To evaluate the practicability of the developed device, the TMD was used to on-site sample preparation of waters and combined with high-performance liquid chromatography with diode array detection to measure trace estrogens in water samples. Under the most favorable conditions, the limits of detection (LODs, S/N = 3) for the target analytes were in the range of 4.9-22 ng/L, with good coefficients of determination. Confirmatory study well evidences that the extraction performance of TMD is comparable to that of the traditional laboratory solid-phase extraction process, but the proposed TMD is more simple and convenient. At the same time, the TMD avoids complicated sampling and transferring steps of large-volume water samples. Copyright © 2018 Elsevier B.V. All rights reserved.

Regulation of H+ Extrusion and Cytoplasmic pH in Maize Root Tips Acclimated to a Low-Oxygen Environment.

Science.gov (United States)

Xia, J. H.; Roberts, JKM.

1996-05-01

We tested the hypothesis that H+ extrusion contributes to cytoplasmic pH regulation and tolerance of anoxia in maize (Zea mays) root tips. We studied root tips of whole seedlings that were acclimated to a low-oxygen environment by pretreatment in 3% (v/v) O2. Acclimated root tips characteristically regulate cytoplasmic pH near neutrality and survive prolonged anoxia, whereas nonacclimated tips undergo severe cytoplasmic acidosis and die much more quickly. We show that the plasma membrane H+-ATPase can operate under anoxia and that net H+ extrusion increases when cytoplasmic pH falls. However, at an external pH near 6.0, H+ extrusion contributes little to cytoplasmic pH regulation. At more acidic external pH values, net H+ flux into root tips increases dramatically, leading to a decrease in cytoplasmic pH and reduced tolerance of anoxia. We present evidence that, under these conditions, H+ pumps are activated to partly offset acidosis due to H+ influx and, thereby, contribute to cytoplasmic pH regulation and tolerance of anoxia. The regulation of H+ extrusion under anoxia is discussed with respect to the acclimation response and mechanisms of intracellular pH regulation in aerobic plant cells.

CFD Analysis of Scale Effects on Conventional and Tip-Modified Propellers

DEFF Research Database (Denmark)

Shin, Keun Woo; Andersen, Poul

2017-01-01

Full-scale propeller performance is traditionally predictedby scaling model-scale test results, but the traditionalscaling methods do not take into account hydrodynamicdistinctions of tip-modified propellers in full-scaleperformance. An open-water CFD analysis is made onscale effects of tip...... the transition model shows that laminar and transitionalflow modeling is crucial in model-scale computations.Grid-independent solutions at model and full scale areachieved by grid verification studies. The CFD analysis of scale effects shows that theefficiency gain of the tip-modified propeller is increasedat...

Improving Multi-Objective Management of Water Quality Tipping Points: Revisiting the Classical Shallow Lake Problem

Science.gov (United States)

Quinn, J. D.; Reed, P. M.; Keller, K.

2015-12-01

Recent multi-objective extensions of the classical shallow lake problem are useful for exploring the conceptual and computational challenges that emerge when managing irreversible water quality tipping points. Building on this work, we explore a four objective version of the lake problem where a hypothetical town derives economic benefits from polluting a nearby lake, but at the risk of irreversibly tipping the lake into a permanently polluted state. The trophic state of the lake exhibits non-linear threshold dynamics; below some critical phosphorus (P) threshold it is healthy and oligotrophic, but above this threshold it is irreversibly eutrophic. The town must decide how much P to discharge each year, a decision complicated by uncertainty in the natural P inflow to the lake. The shallow lake problem provides a conceptually rich set of dynamics, low computational demands, and a high level of mathematical difficulty. These properties maximize its value for benchmarking the relative merits and limitations of emerging decision support frameworks, such as Direct Policy Search (DPS). Here, we explore the use of DPS as a formal means of developing robust environmental pollution control rules that effectively account for deeply uncertain system states and conflicting objectives. The DPS reformulation of the shallow lake problem shows promise in formalizing pollution control triggers and signposts, while dramatically reducing the computational complexity of the multi-objective pollution control problem. More broadly, the insights from the DPS variant of the shallow lake problem formulated in this study bridge emerging work related to socio-ecological systems management, tipping points, robust decision making, and robust control.

Characterization of metal-coated fiber tip for NSOM lithography by tip-to-tip scan

International Nuclear Information System (INIS)

Kubicova, I.; Pudis, D.; Suslik, L.; Skriniarova, J.

2011-01-01

For the optical field characterization, a tip-to-tip scan of two metal-coated fiber tips with circular aperture at the apex was performed. The optical field irradiated from the fiber probe in illumination mode was analyzed by NSOM represented by fiber probe in collection mode. The near-field intensity profile of the source fiber tip in the plane perpendicular to the axis of the tip was taken. Experimental stage requires high resolution 3D motion system controlled by computer (Fig. 1). The source and the detector fiber tip were placed on the moving and static part of the 3D nanoposition system, respectively. As a light source, a modulated 473 nm DPSS laser was used. After the source fiber tip characterization, the NSOM lithography was performed. In the experimental setup from Fig. 1, the detector fiber tip was replaced by a sample fixed in a vacuum holder. As a sample, a 600 nm positive photoresist AZ 5214E was spin-coated on a GaAs substrate. Exposure was carried out by irradiation of the sample at desired positions through the fiber tip aperture. The sample was developed in AZ 400K developer for 30 s and rinsed in DI water. A promising tip-to-tip scanning technique for characterization of metal-coated fiber tips with aperture at the apex was presented. Nearly-circular aperture shapes were documented from NSOM measurements with diameter estimated to be less than 460 nm. By knowing the source-detector distance and the FWHM of the near-field intensity profile, the tip-to-tip scan proves an easy and fast method to analyze the fiber tip aperture properties. The fiber tip resolution was confirmed by preparation of 2D planar structures in thin photoresist layer, where the NSOM lithography uses the metal-coated fiber tip characterized in previous section. (authors)

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

Energy Technology Data Exchange (ETDEWEB)

Liu, Hanchao; Wang, Yimin; Bowman, Joel M. [Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)

2015-05-21

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H{sub 2}O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm{sup −1} is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

International Nuclear Information System (INIS)

Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

2015-01-01

The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H 2 O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm −1 is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band

Heat Generation and Efficiency of a New Modified Phaco Tip and Sleeve.

Directory of Open Access Journals (Sweden)

Aeri Yoo

Full Text Available To compare a modified phacoemulsification tip with the established micro tip, in terms of temperature at the corneal wound, efficiency, and chatter events, using the Centurion® Vision system.Eighty porcine eyes were randomized into 4 groups: 1sleeveless conventional 45D MiniFlared ABS® Kelman tip (1.1-mm incision; 2sleeveless new modified 45D ABS® INTREPID® balanced tip(1.1-mm incision; 3 Kelman tip with own sleeve (2.2-mm incision; 4Balanced tip with modified 4-rib sleeve (2.2-mm incision. Measurements were taken with 2 settings: longitudinal(power 40% and 70% and torsional mode (power 40% and 100%. Peak temperatures were measured 0, 10, 30, and 60 seconds after continuous ultrasound power. For the efficiency test, porcine lens nuclei were formalin soaked and cut into 2.0 mm3 cubes. Efficiency and chatter were examined.In all longitudinal settings, the sleeveless groups(1 and 2 showed lower temperatures than the sleeved groups(3 and 4 (P = 0.003. In 100% torsional mode, groups 3 and 4 produced significantly different temperatures(37.13 ± 1.44 and 35.14 ± 0.54, respectively; P = 0.007.The efficiency, in a 100% power torsional setting, was13.52 ± 2.60 sec for group 4, and 44.45± 14.75 sec for group 3 (P<0.001.The two different bare tips show no significant differences in thermogenesis. However, the balanced tip with sleeve produces lower temperaturesat100% torsional power and better efficiency than the Kelman tip.

Effects of Intraluminal Irradiation with Holmium-166 for TIPS Stenosis: Experimental Study in a Swine Model

Energy Technology Data Exchange (ETDEWEB)

Park, Ji Seon; Oh, Joo Hyeong; Kim, Deog Yoon; Park, Yong Koo; Kim, Soo Joong [Kyung Hee University Medical Center, Seoul (Korea, Republic of); Park, Sang Joon [Kang Dong Sacred Heart Hospital, Hallym University, Seoul (Korea, Republic of)

2007-04-15

We wanted to evaluate the effectiveness of intraluminal irradiation with Holmium-166 ({sup 166}Ho) for reducing the pseudointimal hyperplasia (PIH) in the transjugular intrahepatic portosystemic shunt (TIPS) tract in a swine model. TIPS was performed in 12 domestic pigs, after the creation of portal hypertension by intraportal injection of a mixture of N-butyl-2- cyanoacrylate (NBCA) and lipiodol. Five pigs first underwent intraluminal irradiation (30 Gy) in the parenchymal tract with using a {sup 166}Ho solution-filled balloon catheter, and this was followed by the placement of a nitinol stent in the TIPS tract. For the seven control pigs, the balloon was filled with saline and contrast media mixture. Two weeks later, follow-up portography and histological analysis were performed. TIPS was successfully performed in all twelve pigs with achieving artificially induced portal hypertension. Portography performed two weeks after TIPS showed the patent tracts in the TIPS tracts that were irradiated with {sup 166}Ho (5/5, 100%), whereas either completely (5/6, 83.3%) or partially (1/6, 16.7%) occluded TIPS were seen in the seven pigs of the nonirradiated control group, except in one pig that experienced periprocedural death due to bleeding. Histological analysis showed a statistically significant difference for the maximal PIH (irradiated: 32.8%, nonirradiated: 76.0%, p < 0.001) between the two groups. Intraluminal irradiation with 30 Gy of {sup 166}Ho for TIPS significantly improved the TIPS patency in a swine model of portal hypertension during a 2- week period of follow-up.

Load Composition Model Workflow (BPA TIP-371 Deliverable 1A)

Energy Technology Data Exchange (ETDEWEB)

Chassin, David P.; Cezar, Gustavo V.; /SLAC

2017-07-17

This project is funded under Bonneville Power Administration (BPA) Strategic Partnership Project (SPP) 17-005 between BPA and SLAC National Accelerator Laboratory. The project in a BPA Technology Improvement Project (TIP) that builds on and validates the Composite Load Model developed by the Western Electric Coordinating Council's (WECC) Load Modeling Task Force (LMTF). The composite load model is used by the WECC Modeling and Validation Work Group to study the stability and security of the western electricity interconnection. The work includes development of load composition data sets, collection of load disturbance data, and model development and validation. This work supports reliable and economic operation of the power system. This report was produced for Deliverable 1A of the BPA TIP-371 Project entitled \\TIP 371: Advancing the Load Composition Model". The deliverable documents the proposed work ow for the Composite Load Model, which provides the basis for the instrumentation, data acquisition, analysis and data dissemination activities addressed by later phases of the project.

A Dual Sensor for pH and Hydrogen Peroxide Using Polymer-Coated Optical Fibre Tips.

Science.gov (United States)

Purdey, Malcolm S; Thompson, Jeremy G; Monro, Tanya M; Abell, Andrew D; Schartner, Erik P

2015-12-17

This paper demonstrates the first single optical fibre tip probe for concurrent detection of both hydrogen peroxide (H₂O₂) concentration and pH of a solution. The sensor is constructed by embedding two fluorophores: carboxyperoxyfluor-1 (CPF1) and seminaphtharhodafluor-2 (SNARF2) within a polymer matrix located on the tip of the optical fibre. The functionalised fibre probe reproducibly measures pH, and is able to accurately detect H₂O₂ over a biologically relevant concentration range. This sensor offers potential for non-invasive detection of pH and H₂O₂ in biological environments using a single optical fibre.

Design and Synthesis of a Novel Class of Flavonoid Derivatives via Sequential Phosphorylation and its Application for Greener Nanoparticle Synthesis

Science.gov (United States)

Osonga, Francis Juma

Flavonoids exhibit arrays of biological effects that are beneficial to humans, including anti-viral, anti-oxidative, anti-inflammatory and anti-carcinogenic effects. However, these applications have been hindered by their poor stability and solubility in common solvents. Consequently, there is significant interest in the modification of flavonoids to improve their solubility. This poor solubility is also believed to be responsible for its permeability and bioavailability. Hence the central goal of this work is to design synthetic strategies for the sequential protection of the -OH groups in order to produce phosphorylated quercetin and apigenin derivatives. This work is divided into two parts: the first part presents the design, synthesis, and characterization of novel flavonoid derivatives via global and sequential phosphorylation. The second part focuses on the application of the synthesized derivatives for greener nanoparticle synthesis. This work shows for the first time that sequential phosphorylation of Quercetin is feasible through the design of 4 new derivatives namely: 5,4'-O-Quercetin Diphosphate (QDPI), 4'-O-phosphate Quercetin (4'-QPI), 5,4'-Quercetin Diphosphate (5,4'-QDP) and monophosphate 4-QP. The synthesis of 4'-QP and 5, 4'-QDP was successful with 85% and 60.5% yields respectively. In addition, the progress towards the total synthesis of apigenin phosphate derivatives (7, 4'-ADP and 7-AP) is presented. The synthesized derivatives were characterized using 1H, 13C, and 31P NMR. The phosphorylated derivatives were subsequently explored as reducing agents for sustainable synthesis of gold, silver and copper nanoparticles. We have successfully demonstrated the photochemical synthesis of gold nanoplates of sizes ranging from 10 - 200 nm using water soluble QDP in the presence of sunlight. This work contributes immensely in promoting the ideals of green nanosynthesis by (i) eliminating the use of organic solvents in the nanosynthesis, (ii) exploiting the

Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

International Nuclear Information System (INIS)

Vega, C; Sanz, E; Abascal, J L F; Noya, E G

2008-01-01

In this review we focus on the determination of phase diagrams by computer simulation, with particular attention to the fluid-solid and solid-solid equilibria. The methodology to compute the free energy of solid phases will be discussed. In particular, the Einstein crystal and Einstein molecule methodologies are described in a comprehensive way. It is shown that both methodologies yield the same free energies and that free energies of solid phases present noticeable finite size effects. In fact, this is the case for hard spheres in the solid phase. Finite size corrections can be introduced, although in an approximate way, to correct for the dependence of the free energy on the size of the system. The computation of free energies of solid phases can be extended to molecular fluids. The procedure to compute free energies of solid phases of water (ices) will be described in detail. The free energies of ices Ih, II, III, IV, V, VI, VII, VIII, IX, XI and XII will be presented for the SPC/E and TIP4P models of water. Initial coexistence points leading to the determination of the phase diagram of water for these two models will be provided. Other methods to estimate the melting point of a solid, such as the direct fluid-solid coexistence or simulations of the free surface of the solid, will be discussed. It will be shown that the melting points of ice Ih for several water models, obtained from free energy calculations, direct coexistence simulations and free surface simulations agree within their statistical uncertainty. Phase diagram calculations can indeed help to improve potential models of molecular fluids. For instance, for water, the potential model TIP4P/2005 can be regarded as an improved version of TIP4P. Here we will review some recent work on the phase diagram of the simplest ionic model, the restricted primitive model. Although originally devised to describe ionic liquids, the model is becoming quite popular to describe the behavior of charged colloids

Tip vortices in the actuator line model

Science.gov (United States)

Martinez, Luis; Meneveau, Charles

2017-11-01

The actuator line model (ALM) is a widely used tool to represent the wind turbine blades in computational fluid dynamics without the need to resolve the full geometry of the blades. The ALM can be optimized to represent the `correct' aerodynamics of the blades by choosing an appropriate smearing length scale ɛ. This appropriate length scale creates a tip vortex which induces a downwash near the tip of the blade. A theoretical frame-work is used to establish a solution to the induced velocity created by a tip vortex as a function of the smearing length scale ɛ. A correction is presented which allows the use of a non-optimal smearing length scale but still provides the downwash which would be induced using the optimal length scale. Thanks to the National Science Foundation (NSF) who provided financial support for this research via Grants IGERT 0801471, IIA-1243482 (the WINDINSPIRE project) and ECCS-1230788.

A Dual Sensor for pH and Hydrogen Peroxide Using Polymer-Coated Optical Fibre Tips

Directory of Open Access Journals (Sweden)

Malcolm S. Purdey

2015-12-01

Full Text Available This paper demonstrates the first single optical fibre tip probe for concurrent detection of both hydrogen peroxide (H2O2 concentration and pH of a solution. The sensor is constructed by embedding two fluorophores: carboxyperoxyfluor-1 (CPF1 and seminaphtharhodafluor-2 (SNARF2 within a polymer matrix located on the tip of the optical fibre. The functionalised fibre probe reproducibly measures pH, and is able to accurately detect H2O2 over a biologically relevant concentration range. This sensor offers potential for non-invasive detection of pH and H2O2 in biological environments using a single optical fibre.

A new aeroelastic model for composite rotor blades with straight and swept tips

Science.gov (United States)

Yuan, Kuo-An; Friedmann, Peretz P.; Venkatesan, Comandur

1992-01-01

An analytical model for predicting the aeroelastic behavior of composite rotor blades with straight and swept tips is presented. The blade is modeled by beam type finite elements along the elastic axis. A single finite element is used to model the swept tip. The nonlinear equations of motion for the finite element model are derived using Hamilton's principle and based on a moderate deflection theory and accounts for: arbitrary cross-sectional shape, pretwist, generally anisotropic material behavior, transverse shears and out-of-plane warping. Numerical results illustrating the effects of tip sweep, anhedral and composite ply orientation on blade aeroelastic behavior are presented. Tip sweep can induce aeroelastic instability by flap-twist coupling. Tip anhedral causes lag-torsion and flap-axial couplings, however, its effects on blade stability is less pronounced than the effect due to sweep. Composite ply orientation has a substantial effect on blade stability.

Influence of the tip mass on the tip-sample interactions in TM-AFM

Energy Technology Data Exchange (ETDEWEB)

Pishkenari, Hossein Nejat, E-mail: nejat@mech.sharif.edu [Nano-Robotics Laboratory, Center of Excellence in Design, Robotics and Automation, School of Mechanical Engineering, Sharif University of Technology, Tehran, P.O. Box 11365-9465 (Iran, Islamic Republic of); Meghdari, Ali [Nano-Robotics Laboratory, Center of Excellence in Design, Robotics and Automation, School of Mechanical Engineering, Sharif University of Technology, Tehran, P.O. Box 11365-9465 (Iran, Islamic Republic of)

2011-07-15

This paper focuses on the influences of the tip mass ratio (the ratio of the tip mass to the cantilever mass), on the excitation of higher oscillation eigenmodes and also on the tip-sample interaction forces in tapping mode atomic force microscopy (TM-AFM). A precise model for the cantilever dynamics capable of accurate simulations is essential for the investigation of the tip mass effects on the interaction forces. In the present work, the finite element method (FEM) is used for modeling the AFM cantilever to consider the oscillations of higher eigenmodes oscillations. In addition, molecular dynamics (MD) is used to calculate precise data for the tip-sample force as a function of tip vertical position with respect to the sample. The results demonstrate that in the presence of nonlinear tip-sample interaction forces, the tip mass ratio plays a significant role in the excitations of higher eigenmodes and also in the normal force applied on the surface. Furthermore, it has been shown that the difference between responses of the FEM and point-mass models in different system operational conditions is highly affected by the tip mass ratio. -- Highlights: {yields} A strong correlation exists between the tip mass ratio and the 18th harmonic amplitude. {yields} Near the critical tip mass ratio a small change in the tip mass may lead to a significant force change. {yields} Inaccuracy of the lumped model depends significantly on the tip mass ratio.

Bond-Valence Constraints on Liquid Water Structure

International Nuclear Information System (INIS)

Bickmore, Barry R.; Rosso, Kevin M.; Brown, I. David; Kerisit, Sebastien N.

2009-01-01

The recent controversy about the structure of liquid water pits a new model involving water molecules in relatively stable rings-and-chains structures against the standard model that posits water molecules in distorted tetrahedral coordination. Molecular dynamics (MD) simulations 'both classical and ab initio' almost uniformly support the standard model, but since none of them can yet reproduce all the anomalous properties of water, they leave room for doubt. We argue that it is possible to evaluate these simulations by testing them against their adherence to the bond-valence model, a well known, and quantitatively accurate, empirical summary of the behavior of atoms in the bonded networks of inorganic solids. Here we use the results of ab initio molecular dynamics simulations of ice, water, and several solvated aqueous species to show that the valence sum rule (the first axiom of the bond-valence model,) is followed in both solid and liquid bond networks. We then test MD simulations of water, employing several popular potential models, against this criterion and the experimental O-O radial distribution function. It appears that most of those tested cannot satisfy both criteria well, except TIP4P and TIP5P. If the valence sum rule really can be applied to simulated liquid structures, then it follows that the bonding behaviors of atoms in liquids are in some ways identical to those in solids. We support this interpretation by showing that the simulations produce O-H-O geometries completely consistent with the range of geometries available in solids, and the distributions of instantaneous valence sums reaching the atoms in both the ice and liquid water simulations are essentially identical. Taken together, this is powerful evidence in favor of the standard distorted tetrahedral model of liquid water structure

Direct observation of microtwin formation at crack tips in InP

International Nuclear Information System (INIS)

Vanderschaeve, G.; Caillard, D.; Peyrade, J.P.

1992-01-01

This paper reports that in brittle materials which contain cracks, stress concentrations arise at crack tips. At low temperatures, when the load is increased, brittle fracture happens for a critical stress intensity factor, which is an intrinsic material property, depending on the loading mode and on the cleavage plane. At higher temperatures dislocations may be emitted at the crack tip: a plastic zone is formed, which releases the stresses and increases the critical load for crack propagation. It is generally accepted that the brittle-to ductile transition is controlled directly or indirectly by dislocation mobility. During the course of an in situ transmission electron microscopy, study of dislocation mobility in the III-V compound InP, we have observed the nucleation at a crack tip and the propagation of partial dislocations of same Burgers vectors, resulting in a microtwinning of the crystal. Such an observation provides information on both the way stress relaxation occurs and the relative mobilities of the partial dislocations in this material. In spite of the importance of twin formation on the quality of the material used as substrate in semiconducting devices, this last point is rather poorly documented

Microbial sulfate reduction and metal attenuation in pH 4 acid mine water

Directory of Open Access Journals (Sweden)

Alpers Charles N

2007-10-01

Full Text Available Abstract Sediments recovered from the flooded mine workings of the Penn Mine, a Cu-Zn mine abandoned since the early 1960s, were cultured for anaerobic bacteria over a range of pH (4.0 to 7.5. The molecular biology of sediments and cultures was studied to determine whether sulfate-reducing bacteria (SRB were active in moderately acidic conditions present in the underground mine workings. Here we document multiple, independent analyses and show evidence that sulfate reduction and associated metal attenuation are occurring in the pH-4 mine environment. Water-chemistry analyses of the mine water reveal: (1 preferential complexation and precipitation by H2S of Cu and Cd, relative to Zn; (2 stable isotope ratios of 34S/32S and 18O/16O in dissolved SO4 that are 2–3 ‰ heavier in the mine water, relative to those in surface waters; (3 reduction/oxidation conditions and dissolved gas concentrations consistent with conditions to support anaerobic processes such as sulfate reduction. Scanning electron microscope (SEM analyses of sediment show 1.5-micrometer, spherical ZnS precipitates. Phospholipid fatty acid (PLFA and denaturing gradient gel electrophoresis (DGGE analyses of Penn Mine sediment show a high biomass level with a moderately diverse community structure composed primarily of iron- and sulfate-reducing bacteria. Cultures of sediment from the mine produced dissolved sulfide at pH values near 7 and near 4, forming precipitates of either iron sulfide or elemental sulfur. DGGE coupled with sequence and phylogenetic analysis of 16S rDNA gene segments showed populations of Desulfosporosinus and Desulfitobacterium in Penn Mine sediment and laboratory cultures.

Microbial sulfate reduction and metal attenuation in pH 4 acid mine water

Science.gov (United States)

Church, C.D.; Wilkin, R.T.; Alpers, Charles N.; Rye, R.O.; Blaine, R.B.

2007-01-01

Sediments recovered from the flooded mine workings of the Penn Mine, a Cu-Zn mine abandoned since the early 1960s, were cultured for anaerobic bacteria over a range of pH (4.0 to 7.5). The molecular biology of sediments and cultures was studied to determine whether sulfate-reducing bacteria (SRB) were active in moderately acidic conditions present in the underground mine workings. Here we document multiple, independent analyses and show evidence that sulfate reduction and associated metal attenuation are occurring in the pH-4 mine environment. Water-chemistry analyses of the mine water reveal: (1) preferential complexation and precipitation by H2S of Cu and Cd, relative to Zn; (2) stable isotope ratios of 34S/32S and 18O/16O in dissolved SO4 that are 2-3 ??? heavier in the mine water, relative to those in surface waters; (3) reduction/oxidation conditions and dissolved gas concentrations consistent with conditions to support anaerobic processes such as sulfate reduction. Scanning electron microscope (SEM) analyses of sediment show 1.5-micrometer, spherical ZnS precipitates. Phospholipid fatty acid (PLFA) and denaturing gradient gel electrophoresis (DGGE) analyses of Penn Mine sediment show a high biomass level with a moderately diverse community structure composed primarily of iron- and sulfate-reducing bacteria. Cultures of sediment from the mine produced dissolved sulfide at pH values near 7 and near 4, forming precipitates of either iron sulfide or elemental sulfur. DGGE coupled with sequence and phylogenetic analysis of 16S rDNA gene segments showed populations of Desulfosporosinus and Desulfitobacterium in Penn Mine sediment and laboratory cultures. ?? 2007 Church et al; licensee BioMed Central Ltd.

Aeroelastic modeling of composite rotor blades with straight and swept tips

Science.gov (United States)

Yuan, Kuo-An; Friedmann, Peretz P.; Venkatesan, Comandur

1992-01-01

This paper presents an analytical study of the aeroelastic behavior of composite rotor blades with straight and swept tips. The blade is modeled by beam type finite elements. A single finite element is used to model the swept tip. The nonlinear equations of motion for the FEM are derived using Hamilton's principle and based on a moderate deflection theory and accounts for: arbitrary cross-sectional shape, pretwist, generally anisotropic material behavior, transverse shears and out-of-plane warping. Numerical results illustrating the effects of tip sweep, anhedral and composite ply orientation on blade aeroelastic behavior are presented. It is shown that composite ply orientation has a substantial effect on blade stability. At low thrust conditions, certain ply orientations can cause instability in the lag mode. The flap-torsion coupling associated with tip sweep can also induce aeroelastic instability in the blade. This instability can be removed by appropriate ply orientation in the composite construction. These results illustrate the inherent potential for aeroelastic tailoring present in composite rotor blades with swept tips, which still remains to be exploited in the design process.

Coating of tips for electrochemical scanning tunneling microscopy by means of silicon, magnesium, and tungsten oxides

Science.gov (United States)

Salerno, Marco

2010-09-01

Different combinations of metal tips and oxide coatings have been tested for possible operation in electrochemical scanning tunneling microscopy. Silicon and magnesium oxides have been thermally evaporated onto gold and platinum-iridium tips, respectively. Two different thickness values have been explored for both materials, namely, 40 and 120 nm for silicon oxide and 20 and 60 nm for magnesium oxide. Alternatively, tungsten oxide has been grown on tungsten tips via electrochemical anodization. In the latter case, to seek optimal results we have varied the pH of the anodizing electrolyte between one and four. The oxide coated tips have been first inspected by means of scanning electron microscopy equipped with microanalysis to determine the morphological results of the coating. Second, the coated tips have been electrically characterized ex situ for stability in time by means of cyclic voltammetry in 1 M aqueous KCl supporting electrolyte, both bare and supplemented with K3[Fe(CN)6] complex at 10 mM concentration in milliQ water as an analyte. Only the tungsten oxide coated tungsten tips have shown stable electrical behavior in the electrolyte. For these tips, the uncoated metal area has been estimated from the electrical current levels, and they have been successfully tested by imaging a gold grating in situ, which provided stable results for several hours. The successful tungsten oxide coating obtained at pH=4 has been assigned to the WO3 form.

The TIPS Liquidity Premium

DEFF Research Database (Denmark)

Andreasen, Martin Møller; Christensen, Jens H.E.; Simon Riddell, Simon

We introduce an arbitrage-free term structure model of nominal and real yields that accounts for liquidity risk in Treasury inflation-protected securities (TIPS). The novel feature of our model is to identify liquidity risk from individual TIPS prices by accounting for the tendency that TIPS, lik...

Simulating liquid water for determining its structural and transport properties

International Nuclear Information System (INIS)

Arismendi-Arrieta, Daniel; Medina, Juan S.; Fanourgakis, George S.; Prosmiti, Rita; Delgado-Barrio, Gerardo

2014-01-01

Molecular dynamics simulations are carried out for calculating structural and transport properties of pure liquid water, such as radial distribution functions and self-diffusion and viscosity coefficients, respectively. We employed reparameterized versions of the ab initio water potential by Niesar, Clementi and Corongiu (NCC). In order to investigate the role of the electrostatic contribution, the partial charges of the NCC model are adjusted so that to reproduce the dipole moment values of the SPC/E, SPC/Fw and TIP4P/2005 water models. The single and collective transport coefficients are obtained by employing the Green–Kubo relations at various temperatures. Additionally, in order to overcome convergence difficulties arising from the long correlation times of the stress-tensor autocorrelation functions, a previously reported fitting scheme was employed. The present results indicate that there is a significant relationship between the dipole moment value of the model, and the calculated transport coefficients. We found that by adjusting the molecular dipole moment of the NCC to the value of the TIP4P/2005, the obtained values for the self-diffusion and viscosity coefficients are in better agreement with experiment, compared to the values obtained with the original NCC model. Even though the predictions of the present model exhibits an overall correct behavior, we conclude that further improvements are still required. In order to achieve that, a careful reparameterization of the repulsion–dispersion terms of the potential model is proposed. Also, the effect of the inclusion of many-body effects such as polarizability, should also be investigated. - Highlights: ► Transport properties of liquid water are important in bio-simulations. ► Self-diffusion coefficient, shear and bulk viscosities calculations from NVE molecular dynamics simulations. ► Their comparison with experimental data provides information on intermolecular forces, and serve to develop water

[Chinese constitution research and the practice of 4P medical model].

Science.gov (United States)

Wang, Ji; Wang, Qi

2012-05-01

The aim of modern medicine is transforming from disease to health. Thus the medical model of 4P was proposed in recent years. 4P includes preventive, predictive, personalized, and participatory medical model. In constitution theory of Chinese medicine, there are three main ideas. The first one is: constitutions can be divided to nine types in the Chinese population. Prevention and treatment of disease can be divided according to the constitutional type. This reflects personalized or individualized of 4P. The second one is: certain constitution is correlated to certain disease. So constitution differentiation can be used to predict the occurrence of any kind disease. The third one is: Disease can be prevented through regulating correlated constitutions. And during the course of constitution differentiation, the object of service or patients can participate in the whole course. In summary, the research of Chinese medical constitution embodies the application and practice of 4P medical model. And it provided reference for studying and developing other subjects under the present medical model.

Performance analysis of wind turbines at low tip-speed ratio using the Betz-Goldstein model

International Nuclear Information System (INIS)

Vaz, Jerson R.P.; Wood, David H.

2016-01-01

Highlights: • General formulations for power and thrust at any tip-speed ratio are developed. • The Joukowsky model for the blades is modified with specific vortex distributions. • Betz-Goldstein model is shown to be the most consistent at low tip-speed ratio. • The effects of finite blade number are assessed using tip loss factors. • Tip loss for finite blade number may complicate the vortex breakdown. - Abstract: Analyzing wind turbine performance at low tip-speed ratio is challenging due to the relatively high level of swirl in the wake. This work presents a new approach to wind turbine analysis including swirl for any tip-speed ratio. The methodology uses the induced velocity field from vortex theory in the general momentum theory, in the form of the turbine thrust and torque equations. Using the constant bound circulation model of Joukowsky, the swirl velocity becomes infinite on the wake centreline even at high tip-speed ratio. Rankine, Vatistas and Delery vortices were used to regularize the Joukowsky model near the centreline. The new formulation prevents the power coefficient from exceeding the Betz-Joukowsky limit. An alternative calculation, based on the varying circulation for Betz-Goldstein optimized rotors is shown to have the best general behavior. Prandtl’s approximation for the tip loss and a recent alternative were employed to account for the effects of a finite number of blades. The Betz-Goldstein model appears to be the only one resistant to vortex breakdown immediately behind the rotor for an infinite number of blades. Furthermore, the dependence of the induced velocity on radius in the Betz-Goldstein model allows the power coefficient to remain below Betz-Joukowsky limit which does not occur for the Joukowsky model at low tip-speed ratio.

Effect of TIPS placement on portal and splanchnic arterial blood flow in 4-dimensional flow MRI

Energy Technology Data Exchange (ETDEWEB)

Stankovic, Zoran [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); University Medical Center Freiburg, Department of Diagnostic Radiology and Medical Physics, Freiburg (Germany); Roessle, Martin; Schultheiss, Michael [University Medical Center Freiburg, Department of Gastroenterology, Freiburg (Germany); Euringer, Wulf; Langer, Mathias [University Medical Center Freiburg, Department of Diagnostic Radiology and Medical Physics, Freiburg (Germany); Salem, Riad; Barker, Alex; Carr, James; Collins, Jeremy D. [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); Markl, Michael [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); Northwestern University, Department of Biomedical Engineering, McCormick School of Engineering, Chicago, IL (United States)

2015-09-15

To assess changes in portal and splanchnic arterial haemodynamics in patients undergoing transjugular intrahepatic portosystemic shunt (TIPS) using four-dimensional (4D) flow MRI, a non-invasive, non-contrast imaging technique. Eleven patients undergoing TIPS implantation were enrolled. K-t GRAPPA accelerated non-contrast 4D flow MRI of the liver vasculature was applied with acceleration factor R = 5 at 3Tesla. Flow analysis included three-dimensional (3D) blood flow visualization using time-resolved 3D particle traces and semi-quantitative flow pattern grading. Quantitative evaluation entailed peak velocities and net flows throughout the arterial and portal venous (PV) systems. MRI measurements were taken within 24 h before and 4 weeks after TIPS placement. Three-dimensional flow visualization with 4D flow MRI revealed good image quality with minor limitations in PV flow. Quantitative analysis revealed a significant increase in PV flow (562 ± 373 ml/min before vs. 1831 ± 965 ml/min after TIPS), in the hepatic artery (176 ± 132 ml/min vs. 354 ± 140 ml/min) and combined flow in splenic and superior mesenteric arteries (770 ml/min vs. 1064 ml/min). Shunt-flow assessment demonstrated stenoses in two patients confirmed and treated at TIPS revision. Four-dimensional flow MRI might have the potential to give new information about the effect of TIPS placement on hepatic perfusion. It may explain some unexpected findings in clinical observation studies. (orig.)

Thermoelectric voltage at a nanometer-scale heated tip point contact

Science.gov (United States)

Fletcher, Patrick C.; Lee, Byeonghee; King, William P.

2012-01-01

We report thermoelectric voltage measurements between the platinum-coated tip of a heated atomic force microscope (AFM) cantilever and a gold-coated substrate. The cantilevers have an integrated heater-thermometer element made from doped single crystal silicon, and a platinum tip. The voltage can be measured at the tip, independent from the cantilever heating. We used the thermocouple junction between the platinum tip and the gold substrate to measure thermoelectric voltage during heating. Experiments used either sample-side or tip-side heating, over the temperature range 25-275 °C. The tip-substrate contact is ˜4 nm in diameter and its average measured Seebeck coefficient is 3.4 μV K-1. The thermoelectric voltage is used to determine tip-substrate interface temperature when the substrate is either glass or quartz. When the non-dimensional cantilever heater temperature is 1, the tip-substrate interface temperature is 0.593 on glass and 0.125 on quartz. Thermal contact resistance between the tip and the substrate heavily influences the tip-substrate interface temperature. Measurements agree well with modeling when the tip-substrate interface contact resistance is 108 K W-1.

MELD Score as a Predictor of Early Death in Patients Undergoing Elective Transjugular Intrahepatic Portosystemic Shunt (TIPS) Procedures

International Nuclear Information System (INIS)

Montgomery, Aaron; Ferral, Hector; Vasan, Rajiv; Postoak, Darren W.

2005-01-01

Purpose. To Evaluate the MELD score as a predictor of 30-day mortality in patients undergoing elective TIPS procedures. Methods. This was a retrospective, IRB-approved study. The medical records of all patients who underwent a TIPS procedure between May 1, 1999 and June 1, 2003 in a single institution were reviewed. Patients who underwent elective TIPS were selected. Elective TIPS was performed in 119 patients with a mean age of 55.1 (± 9.6) years. The MELD and Child-Pugh scores before TIPS, etiology of cirrhosis, portosystemic gradients before and after TIPS, procedure time, and procedural complications were obtained from the medical records. The MELD and Child-Pugh scores before TIPS were compared between the survivor group (SG) and the early death (EDG) group. The early death rate was calculated for MELD score subgroups (1-10, 11-17, 18-24, and >24). Data were analyzed using the Fisher exact test, chi-square test and independent-sample t-test. A p value of less than 0.05 was considered significant. Results. Technical success rate was 100%. The early death rate was 10.9% (13/119). The mean MELD scores before TIPS were 19.4 (± 5.9) (EDG) and 14 (± 4.2) (SG) (p = 0.025). The early death rate was highest in the pre-TIPS MELD > 24 subgroup. The Child-Pugh scores were 9.0 (± 1.6) (SG) and 9.8 ± 1.06 (EDG) (p 0.08). The mean portosystemic gradients before TIPS were 20.5 (± 7.7) mmHg (EDG) and 22.7 (± 7.3) (SG) (p > 1) and the mean portosystemic gradients after TIPS were 6.5 (± 3.5) (EDG) and 6.9 (± 2.4) (SG) (p > 1). The mean procedural times were 95.6 (± 8.4) min (EDG) and 89.2 (± 7.5) min (SG) (p > 1). No early death was attributed to a fatal complication during TIPS. Conclusion. The MELD score is useful in identifying patients at a higher risk of early death after an elective TIPS. On the basis of our results, we do not endorse elective TIPS in patients with MELD scores > 24

Tip60 degradation by adenovirus relieves transcriptional repression of viral transcriptional activator EIA.

Science.gov (United States)

Gupta, A; Jha, S; Engel, D A; Ornelles, D A; Dutta, A

2013-10-17

Adenoviruses are linear double-stranded DNA viruses that infect human and rodent cell lines, occasionally transform them and cause tumors in animal models. The host cell challenges the virus in multifaceted ways to restrain viral gene expression and DNA replication, and sometimes even eliminates the infected cells by programmed cell death. To combat these challenges, adenoviruses abrogate the cellular DNA damage response pathway. Tip60 is a lysine acetyltransferase that acetylates histones and other proteins to regulate gene expression, DNA damage response, apoptosis and cell cycle regulation. Tip60 is a bona fide tumor suppressor as mice that are haploid for Tip60 are predisposed to tumors. We have discovered that Tip60 is degraded by adenovirus oncoproteins EIB55K and E4orf6 by a proteasome-mediated pathway. Tip60 binds to the immediate early adenovirus promoter and suppresses adenovirus EIA gene expression, which is a master regulator of adenovirus transcription, at least partly through retention of the virally encoded repressor pVII on this promoter. Thus, degradation of Tip60 by the adenoviral early proteins is important for efficient viral early gene transcription and for changes in expression of cellular genes.

Effect of simple solutes on the long range dipolar correlations in liquid water

Energy Technology Data Exchange (ETDEWEB)

Baul, Upayan, E-mail: upayanb@imsc.res.in; Anishetty, Ramesh, E-mail: ramesha@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in [The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113 (India); Kanth, J. Maruthi Pradeep, E-mail: jmpkanth@gmail.com [Vectra LLC, Mount Road, Chennai 600006 (India)

2016-03-14

Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl{sub 2}) have a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH{sub 4}) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect.

A lifting line model to investigate the influence of tip feathers on wing performance

International Nuclear Information System (INIS)

Fluck, M; Crawford, C

2014-01-01

Bird wings have been studied as prototypes for wing design since the beginning of aviation. Although wing tip slots, i.e. wings with distinct gaps between the tip feathers (primaries), are very common in many birds, only a few studies have been conducted on the benefits of tip feathers on the wing's performance, and the aerodynamics behind tip feathers remains to be understood. Consequently most aircraft do not yet copy this feature. To close this knowledge gap an extended lifting line model was created to calculate the lift distribution and drag of wings with tip feathers. With this model, is was easily possible to combine several lifting surfaces into various different birdwing-like configurations. By including viscous drag effects, good agreement with an experimental tip slotted reference case was achieved. Implemented in C++ this model resulted in computation times of less than one minute per wing configuration on a standard notebook computer. Thus it was possible to analyse the performance of over 100 different wing configurations with and without tip feathers. While generally an increase in wing efficiency was obtained by splitting a wing tip into distinct, feather-like winglets, the best performance was generally found when spreading more feathers over a larger dihedral angle out of the wing plane. However, as the results were very sensitive to the precise geometry of the feather fan (especially feather twist) a careless set-up could just as easily degrade performance. Hence a detailed optimization is recommended to realize the full benefits by simultaneously optimizing feather sweep, twist and dihedral angles. (paper)

NH3 and NH4+ permeability in aquaporin-expressing Xenopus oocytes

DEFF Research Database (Denmark)

Holm, Lars M.; Jahn, Thomas Paul; Møller, Anders Laurell Blom

2005-01-01

We have shown recently, in a yeast expression system, that some aquaporins are permeable to ammonia. In the present study, we expressed the mammalian aquaporins AQP8, AQQP9, AQP3, AQP1 and a plant aquaporin TIP2;1 in Xenopus oocytes to study the transport of ammonia (NH3) and ammonium (NH4+) under...... inwards currents carried by NH4+. This conductivity increased as a sigmoid function of external [NH3]: for AQP8 at a bath pH (pH(e)) of 6.5, the conductance was abolished, at pH(e) 7.4 it was half maximal and at pH(e) 7.8 it saturated. NY4+ influx was associated with oocyte swelling. In comparison, native...... oocytes as well as AQP1 and tip2;1-expressing oocytes showed small currents that were associated with small and even negative volume changes. We conclude that AQP8, AQP9, AQP3, and TIP2;1, apart from being water channels, also support significant fluxes of NH3. These aquaporins could support NH4...

Compound parabolic concentrator optical fiber tip for FRET-based fluorescent sensors

DEFF Research Database (Denmark)

Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren

2015-01-01

The Compound Parabolic Concentrator (CPC) optical fiber tip shape has been proposed for intensity based fluorescent sensors working on the principle of FRET (Förster Resonance Energy Transfer). A simple numerical Zemax model has been used to optimize the CPC tip geometry for a step-index multimode...... polymer optical fiber for an excitation and emission wavelength of 550 nm and 650nm, respectively. The model suggests an increase of a factor of 1.6 to 4 in the collected fluorescent power for an ideal CPC tip, as compared to the plane-cut fiber tip for fiber lengths between 5 and 45mm...

TIPS bilateral noise reduction in 4D CT perfusion scans produces high-quality cerebral blood flow maps

Energy Technology Data Exchange (ETDEWEB)

Mendrik, Adrienne M; Van Ginneken, Bram; Viergever, Max A [Image Sciences Institute, University Medical Center Utrecht, Heidelberglaan 100, 3584 CX Utrecht (Netherlands); Vonken, Evert-jan; De Jong, Hugo W; Riordan, Alan; Van Seeters, Tom; Smit, Ewoud J; Prokop, Mathias, E-mail: a.m.mendrik@gmail.com [Radiology Department, University Medical Center Utrecht, Heidelberglaan 100, 3584 CX Utrecht (Netherlands)

2011-07-07

Cerebral computed tomography perfusion (CTP) scans are acquired to detect areas of abnormal perfusion in patients with cerebrovascular diseases. These 4D CTP scans consist of multiple sequential 3D CT scans over time. Therefore, to reduce radiation exposure to the patient, the amount of x-ray radiation that can be used per sequential scan is limited, which results in a high level of noise. To detect areas of abnormal perfusion, perfusion parameters are derived from the CTP data, such as the cerebral blood flow (CBF). Algorithms to determine perfusion parameters, especially singular value decomposition, are very sensitive to noise. Therefore, noise reduction is an important preprocessing step for CTP analysis. In this paper, we propose a time-intensity profile similarity (TIPS) bilateral filter to reduce noise in 4D CTP scans, while preserving the time-intensity profiles (fourth dimension) that are essential for determining the perfusion parameters. The proposed TIPS bilateral filter is compared to standard Gaussian filtering, and 4D and 3D (applied separately to each sequential scan) bilateral filtering on both phantom and patient data. Results on the phantom data show that the TIPS bilateral filter is best able to approach the ground truth (noise-free phantom), compared to the other filtering methods (lowest root mean square error). An observer study is performed using CBF maps derived from fifteen CTP scans of acute stroke patients filtered with standard Gaussian, 3D, 4D and TIPS bilateral filtering. These CBF maps were blindly presented to two observers that indicated which map they preferred for (1) gray/white matter differentiation, (2) detectability of infarcted area and (3) overall image quality. Based on these results, the TIPS bilateral filter ranked best and its CBF maps were scored to have the best overall image quality in 100% of the cases by both observers. Furthermore, quantitative CBF and cerebral blood volume values in both the phantom and the

Compressive strength of dental composites photo-activated with different light tips

International Nuclear Information System (INIS)

Galvão, M R; Campos, E A; Rastelli, A N S; Andrade, M F; Caldas, S G F R; Calabrez-Filho, S; Bagnato, V S

2013-01-01

The aim of this study was to evaluate the compressive strength of microhybrid (Filtek™ Z250) and nanofilled (Filtek™ Supreme XT) composite resins photo-activated with two different light guide tips, fiber optic and polymer, coupled with one LED. The power density was 653 mW cm −2 when using the fiber optic light tip and 596 mW cm −2 with the polymer. After storage in distilled water at 37 ± 2 °C for seven days, the samples were subjected to mechanical testing of compressive strength in an EMIC universal mechanical testing machine with a load cell of 5 kN and speed of 0.5 mm min −1 . The statistical analysis was performed using ANOVA with a confidence interval of 95% and Tamhane’s test. The results showed that the mean values of compressive strength were not influenced by the different light tips (p > 0.05). However, a statistical difference was observed (p < 0.001) between the microhybrid composite resin photo-activated with the fiber optic light tip and the nanofilled composite resin. Based on these results, it can be concluded that microhybrid composite resin photo-activated with the fiber optic light tip showed better results than nanofilled, regardless of the tip used, and the type of the light tip did not influence the compressive strength of either composite. Thus, the presented results suggest that both the fiber optic and polymer light guide tips provide adequate compressive strength to be used to make restorations. However, the fiber optic light tip associated with microhybrid composite resin may be an interesting option for restorations mainly in posterior teeth. (paper)

Aerodynamic interaction effects of tip-mounted propellers installed on the horizontal tailplane

NARCIS (Netherlands)

van Arnhem, N.; Sinnige, T.; Stokkermans, T.C.A.; Eitelberg, G.; Veldhuis, L.L.M.

2018-01-01

<p>This paper addresses the effects of propeller installation on the aerodynamic performance of a tailplane featuring tip-mounted propellers. A model of a low aspect ratio tailplane equipped with an elevator and a tip-mounted propeller was installed in a low-speed wind-tunnel. Measurements were

Utilization of the inorganic exchangers ZrP and TiP in the treatment of industrial and radioactive wastes

International Nuclear Information System (INIS)

Manosso, Helena Cristina

2001-01-01

Nowadays, environmental preservation using technologies that do not attack it, generating non-toxic residues and reduced volumes, has been discussed. Hazardous effluents, containing metals, as chromium, have been poured in the rivers, degrading the water. Not different are the problems originated from some nuclear activities that generate wastes, as chemical research laboratories. Although those wastes are note poured in the environment, sometimes they are inadequately stored, what can cause serious accidents. To minimize this problem, those wastes must be treated by efficient techniques, as ion exchange. This method is easy of operating, separating and qualifying chemical species. Inorganic ion exchangers, in many cases, are the most indicated, since they present high chemical stability in oxidizing media, at high temperatures and at ionizing radiation. In this study, zirconium phosphate (ZrP) and titanium phosphate (TiP) have been chosen for the separation of chromium and cesium from wastes, analysed by the radioisotopes 51 Cr and 134 Cs, respectively. The inorganic ion exchangers were prepared to obtain the crystalline α-type, using silica-gel as support, to avoid column packing, that may occur due to the granulometry of the exchangers. Modifiers agents were used to improve the exchanger distribution on the support, increasing the contact surface and the interlayer distances. The exchangers were used in the H + and Na + forms. It was verified that the behavior of α-ZrP and α-TiP were similar, in both sorption and elution. The modifications in the exchangers provided an increase of 27% for 51 Cr sorption, related to that one without changes. The sorption percentage of Cr 3+ was 53.23% using ZrP-Si ion exchanger, and 83.31%, with ZrP-Si-HTMA-Na. For cesium, all the exchangers studied showed a sorption above 99% and an elution greater than 96% of the cesium retained. (author)

Effect of external pH on the cytoplasmic and vacuolar pHs in Mung bean root-tip cells

International Nuclear Information System (INIS)

Torimitsu, Keiichi; Yazaki, Yoshiaki; Nagasuka, Kinuyo; Ohta, Eiji; Sakata, Makoto

1984-01-01

The effect of the external pH on the intracellular pH in mung bean (Vigna mungo (L.) Hepper) root-tip cells was investigated with the 31 P nuclear magnetic resonance (NMR) method. The 31 P NMR spectra showed three peaks caused by cytoplasmic G-6-P, cytoplasmic Psub(i) and vacuolar Psub(i). The cytoplasmic and vacuolar pHs could be determined by comparing the Psub(i) chemical shifts with the titration curve. When the external pH was changed over a range from pH 3 to 10, the cytoplasmic pH showed smaller changes than the vacuolar pH, suggesting that the former is regulated more strictly than the latter. The H + -ATPase inhibitor, DCCD, caused the breakdown of the mechanism that regulates the intracellular pH. H + -ATPase appears to have an important part in the regulation of the intracellular pH. (author)

A pilot study to assess adductor canal catheter tip migration in a cadaver model.

Science.gov (United States)

Leng, Jody C; Harrison, T Kyle; Miller, Brett; Howard, Steven K; Conroy, Myles; Udani, Ankeet; Shum, Cynthia; Mariano, Edward R

2015-04-01

An adductor canal catheter may facilitate early ambulation after total knee arthroplasty, but there is concern over preoperative placement since intraoperative migration of catheters may occur from surgical manipulation and result in ineffective analgesia. We hypothesized that catheter type and subcutaneous tunneling may influence tip migration for preoperatively inserted adductor canal catheters. In a male unembalmed human cadaver, 20 catheter insertion trials were divided randomly into one of four groups: flexible epidural catheter either tunneled or not tunneled; or rigid stimulating catheter either tunneled or not tunneled. Intraoperative patient manipulation was simulated by five range-of-motion exercises of the knee. Distance and length measurements were performed by a blinded regional anesthesiologist. Changes in catheter tip to nerve distance (p = 0.225) and length of catheter within the adductor canal (p = 0.467) were not different between the four groups. Two of five non-tunneled stimulating catheters (40 %) were dislodged compared to 0/5 in all other groups (p = 0.187). A cadaver model may be useful for assessing migration of regional anesthesia catheters; catheter type and subcutaneous tunneling may not affect migration of adductor canal catheters based on this preliminary study. However, future studies involving a larger sample size, actual patients, and other catheter types are warranted.

Acute Genotoxic Effects of Effluent Water of Thermo-Power Plant “Kosova” In Tradescantia Pallida

Directory of Open Access Journals (Sweden)

I. R. Elezaj, L.B.Millaku, R.H. Imeri-Millaku, Q.I. Selimi, and K. Rr. Letaj

2011-09-01

Full Text Available The aim of this study was the evaluation of acute genotoxic effect of effluent water of thermo-power plant by means of Tradescantia root tips micronucleus test (MN, mitotic index and cell aberrations.   Tradescantia, was experimentally treated (for 24 h, with effluent water of thermo-power plant in different dilution ratios (negative control – distilled water; primary untreated effluent water and 1:1; 1:2; 1:3; 1:4; 1:5; 1:6 and 1:7 respectively. Number of aberrant cells, and frequency of micronuclei (MN, in meristematic root tip cells of treated plants (Tradescantia, were significantly increased (P<0.001; P<0.001 respectively, while the mitotic index in all treated plants was progressively decreased in comparison to the negative control. The results of present study indicate that Tradescantia root-tip micronucleus assay with direct exposure of intact plants is an appropriate method which enables to detect genotoxic effects of effluent waters.

Fe65 is required for Tip60-directed histone H4 acetylation at DNA strand breaks

Science.gov (United States)

Stante, Maria; Minopoli, Giuseppina; Passaro, Fabiana; Raia, Maddalena; Vecchio, Luigi Del; Russo, Tommaso

2009-01-01

Fe65 is a binding partner of the Alzheimer's β-amyloid precursor protein APP. The possible involvement of this protein in the cellular response to DNA damage was suggested by the observation that Fe65 null mice are more sensitive to genotoxic stress than WT counterpart. Fe65 associated with chromatin under basal conditions and its involvement in DNA damage repair requires this association. A known partner of Fe65 is the histone acetyltransferase Tip60. Considering the crucial role of Tip60 in DNA repair, we explored the hypothesis that the phenotype of Fe65 null cells depended on its interaction with Tip60. We demonstrated that Fe65 knockdown impaired recruitment of Tip60-TRRAP complex to DNA double strand breaks and decreased histone H4 acetylation. Accordingly, the efficiency of DNA repair was decreased upon Fe65 suppression. To explore whether APP has a role in this mechanism, we analyzed a Fe65 mutant unable to bind to APP. This mutant failed to rescue the phenotypes of Fe65 null cells; furthermore, APP/APLP2 suppression results in the impairment of recruitment of Tip60-TRRAP complex to DNA double strand breaks, decreased histone H4 acetylation and repair efficiency. On these bases, we propose that Fe65 and its interaction with APP play an important role in the response to DNA damage by assisting the recruitment of Tip60-TRRAP to DNA damage sites. PMID:19282473

Stability of the ammonium-p-tert-butylcalix[4]arene-tetrakis (N,N-diethylacetamide) complex in nitrobenzene saturated with water

International Nuclear Information System (INIS)

Makrlik, E.

2006-01-01

From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium NH 4 + (aq)+NaL + (nb) ↔ NH 4 L + (nb)+Na + (aq) taking place in the two-phase water-nitrobenzene system (L = p-tert-butylcalix[4]arene-tetrakis (N,N-diethylacetamide); aq = aqueous phase, nb = nitrobenzene phase) was evaluated as logK ex (NH 4 + ,NaL + ) = -1.8. Further, the stability constant of the p-tert-butylcalix[4]arene-tetrakis (N,N-diethylacetamide)-ammonium complex in nitrobenzene saturated with water was calculated for a temperature of 25 deg C: logβ nb (NH 4 L + ) = 6.7. (author)

pH-Dependent Surface Chemistry from First Principles: Application to the BiVO4(010)-Water Interface.

Science.gov (United States)

Ambrosio, Francesco; Wiktor, Julia; Pasquarello, Alfredo

2018-03-28

We present a theoretical formulation for studying the pH-dependent interfacial coverage of semiconductor-water interfaces through ab initio electronic structure calculations, molecular dynamics simulations, and the thermodynamic integration method. This general methodology allows one to calculate the acidity of the individual adsorption sites on the surface and consequently the pH at the point of zero charge, pH PZC , and the preferential adsorption mode of water molecules, either molecular or dissociative, at the semiconductor-water interface. The proposed method is applied to study the BiVO 4 (010)-water interface, yields a pH PZC in excellent agreement with the experimental characterization. Furthermore, from the calculated p K a values of the individual adsorption sites, we construct an ab initio concentration diagram of all adsorbed species at the interface as a function of the pH of the aqueous solution. The diagram clearly illustrates the pH-dependent coverage of the surface and indicates that protons are found to be significantly adsorbed (∼1% of available sites) only in highly acidic conditions. The surface is found to be mostly covered by molecularly adsorbed water molecules in a wide interval of pH values ranging from 2 to 8. Hydroxyl ions are identified as the dominant adsorbed species at pH larger than 8.2.

Calculated shape dependence of electromagnetic field in tip-enhanced Raman scattering by using a monopole antenna model

Science.gov (United States)

Kitahama, Yasutaka; Itoh, Tamitake; Suzuki, Toshiaki

2018-05-01

To evaluate the shape of an Ag tip with regard to tip-enhanced Raman scattering (TERS) signal, the enhanced electromagnetic (EM) field and scattering spectrum, arising from surface plasmon resonance at the apex of the tip, were calculated using a finite-difference time domain (FDTD) method. In the calculated forward scattering spectra from the smooth Ag tip, the band appeared within the visible region, similar to the experimental results and calculation for a corrugated Ag cone. In the FDTD calculation of TERS, the Ag tip acting as a monopole antenna was adopted by insertion of a perfect electric conductor between the root of the tip and a top boundary surface of the calculation space. As a result, the EM field was only enhanced at the apex. The shape dependence i.e. the EM field calculated at the apex with various curvatures on the different tapered tips, obtained using the monopole antenna model, was different from that simulated using a conventional dipole antenna model.

Modelling the embedded rainfall process using tipping bucket data

DEFF Research Database (Denmark)

Thyregod, Peter; Arnbjerg-Nielsen, Karsten; Madsen, Henrik

1998-01-01

A new method for modelling the dynamics of rain measurement processes is suggested. The method takes the discrete nature and autocorrelation of measurements from the tipping bucket rain gauge into consideration. The considered model is a state space model with a Poisson marginal distribution....... In the model there is only one parameter, a thinning parameter. The model is tested on 39 rain events. The estimated value for the various rain events is reflecting a subjective classification of rain events into frontal and convective rain. Finally, it is demonstrated how the model can be used for simulation...

Modelling of Tip Vortex Cavitation for Engineering Applications in OpenFOAM

NARCIS (Netherlands)

Schot, J.J.A.; Pennings, P.C.; Pourquie, M.J.B.M.; Van Terwisga, T.J.C.

2014-01-01

In this paper modelling assumptions for the prediction of tip vortex flow and vortex cavitation with the RANS equations and homogeneous fluid approach in Open-FOAM are presented. The effects of the changes in the turbulence model are investigated and the results are compared with PIV measurements.

Glu-311 in External Loop 4 of the Sodium/Proline Transporter PutP Is Crucial for External Gate Closure*

Science.gov (United States)

Bracher, Susanne; Guérin, Kamila; Polyhach, Yevhen; Jeschke, Gunnar; Dittmer, Sophie; Frey, Sabine; Böhm, Maret; Jung, Heinrich

2016-01-01

The available structural information on LeuT and structurally related transporters suggests that external loop 4 (eL4) and the outer end of transmembrane domain (TM) 10′ participate in the reversible occlusion of the outer pathway to the solute binding sites. Here, the functional significance of eL4 and the outer region of TM10′ are explored using the sodium/proline symporter PutP as a model. Glu-311 at the tip of eL4, and various amino acids around the outer end of TM10′ are identified as particularly crucial for function. Substitutions at these sites inhibit the transport cycle, and affect in part ligand binding. In addition, changes at selected sites induce a global structural alteration in the direction of an outward-open conformation. It is suggested that interactions between the tip of eL4 and the peptide backbone at the end of TM10′ participate in coordinating conformational alterations underlying the alternating access mechanism of transport. Together with the structural information on LeuT-like transporters, the results further specify the idea that common design and functional principles are maintained across different transport families. PMID:26728461

Bent versus straight tips in micropulsed longitudinal phacoemulsification.

Science.gov (United States)

Stagg, Brian C; Gupta, Isha; Cahoon, Judd; Ronquillo, Cecinio; Shi, Dallas; Zaugg, Brian; Gardiner, Gareth; Barlow, William R; Pettey, Jeff H; Aabid Farukhi, M; Jensen, Jason; Olson, Randall J

2015-10-01

The aim of this study was to evaluate bent and straight phacoemulsification tips to determine which tip is more efficient in removal of lens fragments, using micropulsed longitudinal ultrasound in phacoemulsification. In vitro laboratory study. The John A. Moran Eye Center Laboratories, University of Utah, Salt Lake City, Utah, was the study setting. Pig lenses hardened in a manner comparable with dense human cataracts were cut into 2-mm cubes and removed with micropulsed longitudinal ultrasound using settings previously shown to be optimally efficient (6 milliseconds on and 6 milliseconds off for a bent tip). To verify this time as most efficient for a straight tip, we also tested times of 5, 6, and 7 milliseconds time on and off. The tips were either straight or with a 20-degree bend. Twenty cubes were used for each comparative run. For the straight tip, 6 milliseconds on (1.56 ± 0.815 seconds) was significantly more efficient than 7 milliseconds on (2.45 ± 1.56 seconds, p = 0.001) and not significantly more efficient than 5 milliseconds on (1.69 ± 0.86 seconds, p = 0.43). Five milliseconds off time (1.45 ± 0.76s) was more efficient than 6 milliseconds (2.06 ± 1.37 seconds, p = 0.004) and 7 milliseconds off (2.18 ± 1.24s, p = 0.001). The straight tip was more efficient than the bent tip (1.38 ± 0.83 versus 2.93 ± 2.14 seconds, p = 0.006). Results are contrary to accepted common belief. Micropulsed longitudinal phacoemulsification is more efficient with a straight rather than a bent tip. Copyright © 2015 Canadian Ophthalmological Society. Published by Elsevier Inc. All rights reserved.

[Pay for performance in dental care: A systematic narrative review of quality P4P models in dental care].

Science.gov (United States)

Chenot, Regine

2017-11-01

Pay for performance (P4P) links reimbursement to the achievement of quality objectives. Experiences with P4P instruments and studies on their effects are available for the inpatient sector. A systematic narrative review brings together findings concerning the use and the effects of P4P, especially in dental care. A systematic literature search in PubMed and the Cochrane Library for reimbursement models using quality indicators provided 77 publications. Inclusion criteria were: year of publication not older than 2007, dental sector, models of quality-oriented remuneration, quality of care, quality indicators. 27 publications met the inclusion criteria and were evaluated with regard to the instruments and effects of P4P. The database search was supplemented by a free search on the Internet as well as a search in indicator databases and portals. The results of the included studies were extracted and summarized narratively. 27 studies were included in the review. Performance-oriented remuneration is an instrument of quality competition. In principle, P4P is embedded in an existing remuneration system, i.e., it does not occur in isolation. In the United States, England and Scandinavia, models are currently being tested for quality-oriented remuneration in dental care, based on quality indicators. The studies identified by the literature search are very heterogeneous and do not yield comparable endpoints. Difficulties are seen in the reproducibility of the quality of dental care with regard to certain characteristics which still have to be defined as quality-promoting properties. Risk selection cannot be ruled out, which may have an impact on structural quality (access to care, coordination). There were no long-term effects of P4P on the quality of care. In the short and medium term, adverse effects on the participants' motivation as well as shifting effects towards the private sector are described. A prerequisite for the functioning of P4P is the definition of clear

Thermoelectric voltage at a nanometer-scale heated tip point contact

International Nuclear Information System (INIS)

Fletcher, Patrick C; Lee, Byeonghee; King, William P

2012-01-01

We report thermoelectric voltage measurements between the platinum-coated tip of a heated atomic force microscope (AFM) cantilever and a gold-coated substrate. The cantilevers have an integrated heater–thermometer element made from doped single crystal silicon, and a platinum tip. The voltage can be measured at the tip, independent from the cantilever heating. We used the thermocouple junction between the platinum tip and the gold substrate to measure thermoelectric voltage during heating. Experiments used either sample-side or tip-side heating, over the temperature range 25–275 °C. The tip–substrate contact is ∼4 nm in diameter and its average measured Seebeck coefficient is 3.4 μV K −1 . The thermoelectric voltage is used to determine tip–substrate interface temperature when the substrate is either glass or quartz. When the non-dimensional cantilever heater temperature is 1, the tip–substrate interface temperature is 0.593 on glass and 0.125 on quartz. Thermal contact resistance between the tip and the substrate heavily influences the tip–substrate interface temperature. Measurements agree well with modeling when the tip–substrate interface contact resistance is 10 8 K W −1 . (paper)

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

Science.gov (United States)

Haji-Akbari, Amir; Debenedetti, Pablo G.

2015-01-01

Ice formation is ubiquitous in nature, with important consequences in a variety of environments, including biological cells, soil, aircraft, transportation infrastructure, and atmospheric clouds. However, its intrinsic kinetics and microscopic mechanism are difficult to discern with current experiments. Molecular simulations of ice nucleation are also challenging, and direct rate calculations have only been performed for coarse-grained models of water. For molecular models, only indirect estimates have been obtained, e.g., by assuming the validity of classical nucleation theory. We use a path sampling approach to perform, to our knowledge, the first direct rate calculation of homogeneous nucleation of ice in a molecular model of water. We use TIP4P/Ice, the most accurate among existing molecular models for studying ice polymorphs. By using a novel topological approach to distinguish different polymorphs, we are able to identify a freezing mechanism that involves a competition between cubic and hexagonal ice in the early stages of nucleation. In this competition, the cubic polymorph takes over because the addition of new topological structural motifs consistent with cubic ice leads to the formation of more compact crystallites. This is not true for topological hexagonal motifs, which give rise to elongated crystallites that are not able to grow. This leads to transition states that are rich in cubic ice, and not the thermodynamically stable hexagonal polymorph. This mechanism provides a molecular explanation for the earlier experimental and computational observations of the preference for cubic ice in the literature. PMID:26240318

Extended timescale atomistic modeling of crack tip behavior in aluminum

International Nuclear Information System (INIS)

Baker, K L; Warner, D H

2012-01-01

Traditional molecular dynamics (MD) simulations are limited not only by their spatial domain, but also by the time domain that they can examine. Considering that many of the events associated with plasticity are thermally activated, and thus rare at atomic timescales, the limited time domain of traditional MD simulations can present a significant challenge when trying to realistically model the mechanical behavior of materials. A wide variety of approaches have been developed to address the timescale challenge, each having their own strengths and weaknesses dependent upon the specific application. Here, we have simultaneously applied three distinct approaches to model crack tip behavior in aluminum at timescales well beyond those accessible to traditional MD simulation. Specifically, we combine concurrent multiscale modeling (to reduce the degrees of freedom in the system), parallel replica dynamics (to parallelize the simulations in time) and hyperdynamics (to accelerate the exploration of phase space). Overall, the simulations (1) provide new insight into atomic-scale crack tip behavior at more typical timescales and (2) illuminate the potential of common extended timescale techniques to enable atomic-scale modeling of fracture processes at typical experimental timescales. (paper)

Ergonomic factors related to drop-off detection with the long cane: effects of cane tips and techniques.

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Kim, Dae Shik; Emerson, Robert S Wall; Curtis, Amy B

2010-06-01

This study examined the effect of cane tips and cane techniques on drop-off detection with the long cane. Blind pedestrians depend on a long cane to detect drop-offs. Missing a drop-off may result in falls or collision with moving vehicles in the street. Although cane tips appear to affect a cane user's ability to detect drop-offs, few experimental studies have examined such effect. A repeated-measures design with block randomization was used for the study. Participants were 17 adults who were legally blind and had no other disabilities. Participants attempted to detect the drop-offs of varied depths using different cane tips and cane techniques. Drop-off detection rates were similar between the marshmallow tip (77.0%) and the marshmallow roller tip (79.4%) when both tips were used with the constant contact technique, p = .294. However, participants detected drop-offs at a significantly higher percentage when they used the constant contact technique with the marshmallow roller tip (79.4%) than when they used the two-point touch technique with the marshmallow tip (63.2%), p marshmallow roller tip (perceived as a less advantageous tip) was more effective than the two-point touch technique used with a marshmallow tip (perceived as a more advantageous tip) in detecting drop-offs. The findings of the study may help cane users and orientation and mobility specialists select appropriate cane techniques and cane tips in accordance with the cane user's characteristics and the nature of the travel environment.

Blade tip, finite aspect ratio, and dynamic stall effects on the Darrieus rotor

Science.gov (United States)

Paraschivoiu, I.; Desy, P.; Masson, C.

1988-02-01

The objective of the work described in this paper was to apply the Boeing-Vertol dynamic stall model in an asymmetric manner to account for the asymmetry of the flow between the left and right sides of the rotor. This phenomenon has been observed by the flow visualization of a two-straight-bladed Darrieus rotor in the IMST water tunnel. Also introduced into the aerodynamic model are the effects of the blade tip and finite aspect ratio on the aerodynamic performance of the Darrieus wind turbine. These improvements are compatible with the double-multiple-streamtube model and have been included in the CARDAAV computer code for predicting the aerodynamic performance. Very good agreement has been observed between the test data (Sandia 17 m) and theoretical predictions; a significant improvement over the previous dynamic stall model was obtained for the rotor power at low tip speed ratios, while the inclusion of the finite aspect ratio effects enhances the prediction of the rotor power for high tip speed ratios. The tip losses and finite aspect ratio effects were also calculated for a small-scale vertical-axis wind turbine, with a two-straight-bladed (NACA 0015) rotor.

Topotactic changes on η-Mo4O11 caused by biased atomic force microscope tip and cw-laser

International Nuclear Information System (INIS)

Borovšak, Miloš; Šutar, Petra; Goreshnik, Evgeny; Mihailovic, Dragan

2015-01-01

Highlights: • We report influencing electronic properties of η-Mo 4 O 11 . • With the biased AFM tip we induce the surface potential changes on η-Mo 4 O 11 . • We used cw-laser to induced similar effect on surface potential on η-Mo 4 O 11 . • We do not influence the surface and topography of the samples. • No change in topography of samples indicates the topotactic transformation. - Abstract: We present topotactic changes on Mo 4 O 11 crystals induced by a biased atomic force microscope tip and continuous laser. The transformation does not change the topography of the samples, while the surface potential shows remarkable changes on areas where the biased AFM tip was applied. No structural changes were observed by Raman spectroscopy, but AFM scans revealed changes to surface potential due to laser illumination. The observed phenomenon could be potentially useful for memristive memory devices considering the fact that properties of other molybdenum oxides vary from metallic to insulators.

Molecular Dynamics Simulation Studies of Caffeine Aggregation in Aqueous Solution

OpenAIRE

Tavagnacco, Letizia; Schnupf, Udo; Mason, Philip E.; Saboungi, Marie-Louise; Cesàro, Attilio; Brady, John W.

2011-01-01

Molecular dynamics simulations were carried out on a system of eight independent caffeine molecules in a periodic box of water at 300 K, representing a solution near the solubility limit for caffeine at room temperature, using a newly-developed CHARMM-type force field for caffeine in water. Simulations were also conducted for single caffeine molecules in water using two different water models (TIP3P and TIP4P). Water was found to structure in a complex fashion around the planar caffeine molec...

Tip-tilt disturbance model identification based on non-linear least squares fitting for Linear Quadratic Gaussian control

Science.gov (United States)

Yang, Kangjian; Yang, Ping; Wang, Shuai; Dong, Lizhi; Xu, Bing

2018-05-01

We propose a method to identify tip-tilt disturbance model for Linear Quadratic Gaussian control. This identification method based on Levenberg-Marquardt method conducts with a little prior information and no auxiliary system and it is convenient to identify the tip-tilt disturbance model on-line for real-time control. This identification method makes it easy that Linear Quadratic Gaussian control runs efficiently in different adaptive optics systems for vibration mitigation. The validity of the Linear Quadratic Gaussian control associated with this tip-tilt disturbance model identification method is verified by experimental data, which is conducted in replay mode by simulation.

An analytical model accounting for tip shape evolution during atom probe analysis of heterogeneous materials.

Science.gov (United States)

Rolland, N; Larson, D J; Geiser, B P; Duguay, S; Vurpillot, F; Blavette, D

2015-12-01

An analytical model describing the field evaporation dynamics of a tip made of a thin layer deposited on a substrate is presented in this paper. The difference in evaporation field between the materials is taken into account in this approach in which the tip shape is modeled at a mesoscopic scale. It was found that the non-existence of sharp edge on the surface is a sufficient condition to derive the morphological evolution during successive evaporation of the layers. This modeling gives an instantaneous and smooth analytical representation of the surface that shows good agreement with finite difference simulations results, and a specific regime of evaporation was highlighted when the substrate is a low evaporation field phase. In addition, the model makes it possible to calculate theoretically the tip analyzed volume, potentially opening up new horizons for atom probe tomographic reconstruction. Copyright © 2015 Elsevier B.V. All rights reserved.

Evaluating the Laplace pressure of water nanodroplets from simulations

Science.gov (United States)

Malek, Shahrazad M. A.; Sciortino, Francesco; Poole, Peter H.; Saika-Voivod, Ivan

2018-04-01

We calculate the components of the microscopic pressure tensor as a function of radial distance r from the centre of a spherical water droplet, modelled using the TIP4P/2005 potential. To do so, we modify a coarse-graining method for calculating the microscopic pressure (Ikeshoji et al 2003 Mol. Simul. 29 101) in order to apply it to a rigid molecular model of water. As test cases, we study nanodroplets ranging in size from 776 to 2880 molecules at 220 K. Beneath a surface region comprising approximately two molecular layers, the pressure tensor becomes approximately isotropic and constant with r. We find that the dependence of the pressure on droplet radius is that expected from the Young-Laplace equation, despite the small size of the droplets.

Collaborative Occupational Therapy: Teachers' Impressions of the Partnering for Change (P4C) Model.

Science.gov (United States)

Wilson, A L; Harris, S R

2018-05-01

Occupational therapists (OTs) often face barriers when trying to collaborate with teachers in school-based settings. Partnering for change (P4C), a collaborative practice model designed to support children with developmental coordination disorder, could potentially support all students with special needs. Therefore, the aim of this study was to explore how teachers experience OT services delivered using the P4C model to support children with a variety of special needs. P4C was implemented at one elementary school in Courtenay, British Columbia. Eleven teachers participated in two focus groups and a one-on-one interview to gather descriptive, qualitative data. Grounded theory techniques were used for data analysis. Four themes (collaborating in the thick of it all, learning and taking risks, managing limited time and resources, and appreciating responsive OT support) represented teachers' experiences of P4C. Teachers strongly preferred collaborative OT services based on the P4C model. Students with a variety of special needs were supported within their classrooms as teachers learned new strategies from the OT and found ways to embed these strategies into their daily routines.

Improved Patency of Transjugular Intrahepatic Portosystemic Shunt: The Efficacy of Cilostazol for the Prevention of Pseudointimal Hyperplasia in Swine TIPS Models

International Nuclear Information System (INIS)

Park, Sang Woo; Cha, In Ho; Kim, Chul Hwan; Jeon, Hae Jeong; Park, Jeong Hee; Hong, Suk Joo; Lee, In Sik

2007-01-01

Purpose. To investigate the efficacy of oral administration of cilostazol to inhibit pseudointimal/intimal hyperplasia in swine TIPS models. Methods. Successful TIPS creation was carried out in 11 of 12 healthy young pigs (20-25 kg). In the treatment group (n = 6), both cilostazol and aspirin were administered daily, from the first day of TIPS creation. The control group (n = 5) was administered only aspirin. The animals were followed-up for 2 weeks and then killed. The specimen (including portal vein, hepatic parenchymal tract, hepatic vein, and inferior vena cava) and stents were carefully bisected in a longitudinal fashion. The control group was compared with the treatment group by means of a gross and histologic evaluation of the degree of pseudointimal/intimal hyperplasia in the shunt. Results. At the gross evaluation, the control group showed considerably more pseudointimal/intimal hyperplasia than the treatment group. Using microscopic evaluation, there was a statistically significant difference (p < 0.05) in the mean maximum pseudointimal/intimal hyperplasia thickness between the control group (2.97 ± 0.33 mm) and treatment group (0.73 ± 0.27 mm). Conclusion. Oral administration of cilostazol may have been effective in reducing pseudointimal/intimal hyperplasia in swine TIPS models

Rotor aerodynamic power limits at low tip speed ratio using CFD

International Nuclear Information System (INIS)

Mikkelsen, Robert F; Sarmast, Sasan; Henningson, Dan; Sørensen, Jens N

2014-01-01

When investigating limits of rotor aerodynamic models, the Betz limit serves as a solid marker of an upper limit which no model should be able to exceed. A century ago Joukowsky (1912) proposed a rotor aerodynamic model utilizing a rotating actuator disc with a constant circulation. This model has since then been the subject of much controversy as it predicts a power performance that for all tip speed ratios exceeds the Betz limit and which goes to infinity when the tip speed ratio goes to zero. Recently, it was demonstrated that the Joukowsky model is fully consistent with the inviscid Euler equations and that the apparent inconsistency partly can be explained by the lack of viscous effects (Sprensen and van Kuik [4]). However, even including a term to account for the effect of viscosity at small tip speed ratios, the model still predicts a power yield that exceeds the Betz limit. In the present work we study in detail, using a CFD actuator line model, the flow behavior for rotors at small tip speed ratios. It is shown that the excessive swirl appearing towards the rotor center at small tip speed ratios generates vortex breakdown, causing a recirculating zone in the wake that limits the power yield of the rotor. The appearance of vortex breakdown has a similar effect on the flow behavior as the vortex ring state that usually appears at higher tip speed ratios. Limits to where vortex breakdown might occur with tip speed ratio and rotor loading as parameter are investigated and presented in the paper. The limits found correspond to well-known criterion for vortex breakdown onset for swirling flows in general. By applying a criterion for vortex breakdown in combination with the general momentum theory, the power performance always stays below the Betz limit

PAMPA--a drug absorption in vitro model. 5. Unstirred water layer in iso-pH mapping assays and pKa(flux)--optimized design (pOD-PAMPA).

Science.gov (United States)

Ruell, Jeffrey A; Tsinman, Konstantin L; Avdeef, Alex

2003-12-01

Iso-pH mapping unstirred parallel artificial membrane permeability assay (PAMPA) was used to measure the effective permeability, P(e), as a function of pH from 3 to 10, of five weak monoprotic acids (ibuprofen, naproxen, ketoprofen, salicylic acid, benzoic acid), an ampholyte (piroxicam), five monoprotic weak bases (imipramine, verapamil, propranolol, phenazopyridine, metoprolol), and a diprotic weak base (quinine). The intrinsic permeability, P(o), the unstirred water layer (UWL) permeability, P(u), and the apparent pK(a) (pK(a)(flux)) were determined from the pH dependence of logP(e). The underlying permeability-pH equations were derived for multiprotic weak acids, weak bases and ampholytes. The average thickness of the unstirred water layer on each side of the membrane was estimated to be nearly 2000 microm, somewhat larger than that found in Caco-2 permeability assays (unstirred). Since the UWL thickness in the human intestine is believed to be about forty times smaller, it is critical to correct the in vitro permeability data for the effect of the UWL. Without such correction, the in vitro permeability coefficient of lipophilic molecules would be indicative only of the property of water. In single-pH PAMPA (e.g. pH 7.4), the uncertainty of the UWL contribution can be minimized if a specially-selected pH (possibly different from 7.4) were used in the assay. From the analysis of the shapes of the log P(e)-pH plots, a method to improve the selection of the assay pH, called pK(a)(flux)-optimized design (pOD-PAMPA), was described and tested. From an optimally-selected assay pH, it is possible to estimate P(o), as well as the entire membrane permeability-pH profile.

Molecular Characterization of LRB7 Gene and a Water Channel Protein TIP2 in Chorispora bungeana

Directory of Open Access Journals (Sweden)

Ming Li

2016-01-01

Full Text Available Background. Water channel proteins, also called aquaporins, are integral membrane proteins from major intrinsic protein (MIP family and involved in several pathways including not only water transport but also cell signaling, reproduction, and photosynthesis. The full cDNA and protein sequences of aquaporin in Chorispora bungeana Fisch. & C.A. Mey (C. bungeana are still unknown. Results. In this study, PCR and rapid amplification of cDNA ends approaches were used to clone the full cDNA of LRB7 (GenBank accession number: EU636988 of C. bungeana. Sequence analysis indicated that it was 1235 bp, which had two introns and encoded a protein of 250 amino acids. Structure analysis revealed that the protein had two conserved NPA motifs, one of which is MIP signature sequence (SGxHxNPAVT, six membrane helix regions, and additional membrane-embedded domains. Phylogenetic analysis suggested that the protein was from TIP2 subgroup. Surprisingly, semiquantitative RT-PCR experiment and western blot analysis showed that LRB7 and TIP2 were only detectable in roots, unlike Arabidopsis and Raphanus. Connecting with our previous studies, LRB7 was supported to associate with chilling-tolerance in C. bungeana. Conclusion. This is the first time to characterize the full sequences of LRB7 gene and water channel protein in C. bungeana. Our findings contribute to understanding the water transports in plants under low temperatures.

Variables decreasing tip movement of peripherally inserted central catheters in pediatric patients.

Science.gov (United States)

Gnannt, Ralph; Connolly, Bairbre L; Parra, Dimitri A; Amaral, Joao; Moineddin, Rahim; Thakor, Avnesh S

2016-10-01

The position of the tip of a peripherally inserted central catheter (PICC) is crucial; malposition can lead to malfunction of the line or life-threatening events (e.g., arrhythmias, perforation). To determine what factors other than arm position and accessed vein might influence the tip position of a PICC. Inclusion criteria were upper limb PICC placement, body weight central tip movement in rib units. We included 112 children who received a PICC (42 girls/70 boys, mean age 31±13 months, mean weight 6.5±4.9 kg). The overall range of central tip movement was -1 to +4 rib units (mean +0.8±0.7 rib units). Silicone PICCs moved significantly less than polyurethane PICCs (Pcentral tip movement of a PICC (P>0.05). Silicone PICCs and PICCs inserted into the cephalic vein move less than PICCs made of polyurethane and PICCs inserted into the brachial and basilic veins. These findings might assist operators in deciding which PICC to place in children in a given clinical context.

Some aspects of forces and fields in atomic models of crack tips

International Nuclear Information System (INIS)

Hoagland, R.G.; Daw, M.S.; Hirth, J.P.

1991-01-01

This paper examines the stresses and displacement gradients in atomistic models of cracks based on an EAM potential devised for aluminum. Methods for computing these quantities are described. Results are presented for two models differing in terms of the orientations of the crack relative to the crystal, a [100](010) orientation that behaves in a brittle fashion and a [111](110) orientation which emits partial dislocations prior to extending. Both models display lattice trapping. The stresses in the brittle crack model are compared with the linear elastic prediction and found to be in remarkably good agreement to within distances of about one lattice parameter of the crack tip and at the free surface where contributions from sources other than strain energy (e.g., surface tension) influence the results. Similar results are observed for the ductile model until dislocation emission occurs. The largest stresses that develop just prior to crack extension or dislocation emission are used to estimate the ratio of theoretical tensile strength to shear strength in this material. Eshelby's conservation integrals, F and M, are also computed. F is found to be essentially contour independent and in agreement with the linear elastic prediction in both models until dislocation emission occurs, at which point a large screening contribution arises from the emitted partials. The contour size dependence of M reveals some interesting features of the crack tip including a slight wobble of the crack tip inside its potential well with changing applied K and the existence of forces acting to move the crack faces apart as blunting occurs

Sports Dehydration Safety Tips

Science.gov (United States)

Sports Dehydration Safety Tips Everything you need to know to keep your kids safe from dehydration when playing sports. To keep kids in top ... to stay hydrated by drinking plenty of fluids. Dehydration occurs when a body loses more water than ...

SA-4-1BBL costimulation inhibits conversion of conventional CD4+ T cells into CD4+ FoxP3+ T regulatory cells by production of IFN-γ.

Directory of Open Access Journals (Sweden)

Shravan Madireddi

Full Text Available Tumors convert conventional CD4(+ T cells into induced CD4(+CD25(+FoxP3(+ T regulatory (iTreg cells that serve as an effective means of immune evasion. Therefore, the blockade of conventional CD4(+ T cell conversion into iTreg cells represents an attractive target for improving the efficacy of various immunotherapeutic approaches. Using a novel form of 4-1BBL molecule, SA-4-1BBL, we previously demonstrated that costimulation via 4-1BB receptor renders both CD4(+and CD8(+ T effector (Teff cells refractory to inhibition by Treg cells and increased intratumoral Teff/Treg cell ratio that correlated with therapeutic efficacy in various preclinical tumor models. Building on these studies, we herein show for the first time, to our knowledge, that signaling through 4-1BB inhibits antigen- and TGF-β-driven conversion of naïve CD4(+FoxP3(- T cells into iTreg cells via stimulation of IFN-γ production by CD4(+FoxP3(- T cells. Importantly, treatment with SA-4-1BBL blocked the conversion of CD4(+FoxP3(- T cells into Treg cells by EG.7 tumors. Taken together with our previous studies, these results show that 4-1BB signaling negatively modulate Treg cells by two distinct mechanisms: i inhibiting the conversion of CD4(+FoxP3(- T cells into iTreg cells and ii endowing Teff cells refractory to inhibition by Treg cells. Given the dominant role of Treg cells in tumor immune evasion mechanisms, 4-1BB signaling represents an attractive target for favorably tipping the Teff:Treg balance toward Teff cells with important implications for cancer immunotherapy.

Mechano-electrochemical study of stress corrosion crack tip area: Case of Zircaloy-4 in halide solution

International Nuclear Information System (INIS)

Durif, E.

2012-01-01

Stress corrosion cracking (SCC) is a damage phenomenon which results from the synergy between corrosion process (dissolution, adsorption) and mechanical fracture (crack propagation). Although this phenomenon is well known, its modelling is still a challenging issue, especially concerning mechano-electrochemical coupling mechanisms at crack tip, because it depends on model system (metal/aggressive media) and large number of mechanical and electrochemical factors. In this thesis, mutual interactions between dissolution and the stress state around the crack tip (stress intensity factor) are studied in the case of Zircaloy-4 in aqueous halide solution. Samples are first pre-cracked in air by using fatigue load-shedding procedure to control the stress intensity factor. Then, pre-oxidation is used to produce a thin protective passive layer on their surface. The electro-chemical reactions are thus concentrated at the crack tip which also induces a concentration of the mechanical effect. During the test, digital images of the sample surface are acquired. Digital Image Correlation is performed a posteriori in order to obtain the evolution of the crack length and the stress intensity factors. Further, a specific procedure is developed in order to perform the DIC analysis while the test is running. This allows to control the load so that a given value of the stress intensity factor is prescribed. With this innovative experimental technique, we perform experimental tests that allow to discriminate the effects between different stress corrosion cracking mechanisms. It is suggested that once a critical anodic polarization is exceeded, the crack growth rate depends on the stress intensity factor but also on its time derivative. Indeed, a threshold effect is obtained on the stress intensity factor, meaning that plasticity must increase for the dissolution reaction to occur, but also on its rate meaning that time for plasticity to produce new dislocations must not exceed the

Study on unsteady tip leakage vortex cavitation in an axial-flow pump using an improved filter-based model

Energy Technology Data Exchange (ETDEWEB)

Zhang, Desheng; Shi, Lei; Zhao, Ruijie; Shi, Weidong; Pan, Qiang [Jiangsu University, Zhenjiang (China); Esch, B. P. [Eindhoven University of Technology, Eindhoven (Netherlands)

2017-02-15

The aim of the present investigation is to simulate and analyze the tip leakage flow structure and instantaneous evolution of tip vortex cavitation in a scaled axial-flow pump model. The improved filter-based turbulence model based on the density correction and a homogeneous cavitation model were used for implementing this work. The results show that when entering into the tip clearance, the backward flow separates from the blade tip near the pressure side, resulting in the generation of a corner vortex with high magnitude of turbulence kinetic energy. Then, at the exit of the tip clearance, the leakage jets would re-attach on the blade tip wall. Moreover, the maximum swirling strength method was employed in identifying the TLV core and a counter-rotating induced vortex near the end-wall successfully. The three dimensional cavitation patterns and in-plain cavitation structures obtained by the improved numerical method agree well with the experimental results. At the sheet cavitation trailing edge in the tip region, the perpendicular cavitation cloud induced by TLV sheds and migrates toward the pressure side of the neighboring blade. During its migration, it breaks down abruptly and generates a large number of smallscale cavities, leading to severe degradation of the pump performance, which is similar with the phenomenon observed by Tan et al.

Glu-311 in External Loop 4 of the Sodium/Proline Transporter PutP Is Crucial for External Gate Closure.

Science.gov (United States)

Bracher, Susanne; Guérin, Kamila; Polyhach, Yevhen; Jeschke, Gunnar; Dittmer, Sophie; Frey, Sabine; Böhm, Maret; Jung, Heinrich

2016-03-04

The available structural information on LeuT and structurally related transporters suggests that external loop 4 (eL4) and the outer end of transmembrane domain (TM) 10' participate in the reversible occlusion of the outer pathway to the solute binding sites. Here, the functional significance of eL4 and the outer region of TM10' are explored using the sodium/proline symporter PutP as a model. Glu-311 at the tip of eL4, and various amino acids around the outer end of TM10' are identified as particularly crucial for function. Substitutions at these sites inhibit the transport cycle, and affect in part ligand binding. In addition, changes at selected sites induce a global structural alteration in the direction of an outward-open conformation. It is suggested that interactions between the tip of eL4 and the peptide backbone at the end of TM10' participate in coordinating conformational alterations underlying the alternating access mechanism of transport. Together with the structural information on LeuT-like transporters, the results further specify the idea that common design and functional principles are maintained across different transport families. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

AFM tip-sample convolution effects for cylinder protrusions

Science.gov (United States)

Shen, Jian; Zhang, Dan; Zhang, Fei-Hu; Gan, Yang

2017-11-01

A thorough understanding about the AFM tip geometry dependent artifacts and tip-sample convolution effect is essential for reliable AFM topographic characterization and dimensional metrology. Using rigid sapphire cylinder protrusions (diameter: 2.25 μm, height: 575 nm) as the model system, a systematic and quantitative study about the imaging artifacts of four types of tips-two different pyramidal tips, one tetrahedral tip and one super sharp whisker tip-is carried out through comparing tip geometry dependent variations in AFM topography of cylinders and constructing the rigid tip-cylinder convolution models. We found that the imaging artifacts and the tip-sample convolution effect are critically related to the actual inclination of the working cantilever, the tip geometry, and the obstructive contacts between the working tip's planes/edges and the cylinder. Artifact-free images can only be obtained provided that all planes and edges of the working tip are steeper than the cylinder sidewalls. The findings reported here will contribute to reliable AFM characterization of surface features of micron or hundreds of nanometers in height that are frequently met in semiconductor, biology and materials fields.

Optimization study on pin tip diameter of an impact-pin nozzle at high pressure ratio

Energy Technology Data Exchange (ETDEWEB)

Kumar, C. Palani; Lee, Kwon Hee [FMTRC, Daejoo Machinery Co. Ltd., Daegu (Korea, Republic of); Park, Tae Choon; Cha, Bong Jun [Engine Components Research Team, Korea Aerospace Research Institute, Daejeon (Korea, Republic of); Kim, Heuy Dong [Dept. of Mechanical Engineering, Andong National University, Andong (Korea, Republic of)

2016-09-15

Wet compression system is typically installed in a gas turbine engine to increase the net power output and efficiency. A crucial component of the wet compression system is the nozzle which generates fine water droplets for injection into the compressor. The main objective of present work is to optimize a kind of nozzle called impact-pin spray nozzle and thereby produce better quality droplets. To achieve this, the dynamics occurring in the water jet impinging on the pin tip, the subsequent formation of water sheet, which finally breaks into water droplets, must be studied. In this manuscript, the progress on the numerical studies on impact-pin nozzle are reported. A small computational domain covering the orifice, pin tip and the region where primary atomization occurs is selected for numerical analysis. The governing equations are selected in three dimensional cartesian form and simulations are performed to predict the dynamics of water jet impinging on the pin. Systematic studies were carried out and the results leading to the choice of turbulence model and the effect of pin tip diameter are reported here. Further studies are proposed to show the future directions of the present research work.

Trends and Tipping Points of Drought-induced Tree Mortality

Science.gov (United States)

Huang, K.; Yi, C.; Wu, D.; Zhou, T.; Zhao, X.; Blanford, W. J.; Wei, S.; Wu, H.; Du, L.

2014-12-01

Drought-induced tree mortality worldwide has been recently reported in a review of the literature by Allen et al. (2010). However, a quantitative relationship between widespread loss of forest from mortality and drought is still a key knowledge gap. Specifically, the field lacks quantitative knowledge of tipping point in trees when coping with water stress, which inhibits the assessments of how climate change affects the forest ecosystem. We investigate the statistical relationships for different (seven) conifer species between Ring Width Index (RWI) and Standardized Precipitation Evapotranspiration Index (SPEI), based on 411 chronologies from the International Tree-Ring Data Bank across 11 states of the western United States. We found robust species-specific relationships between RWI and SPEI for all seven conifer species at dry condition. The regression models show that the RWI decreases with SPEI decreasing (drying) and more than 76% variation of tree growth (RWI) can be explained by the drought index (SPEI). However, when soil water is sufficient (i.e., SPEI>SPEIu), soil water is no longer a restrictive factor for tree growth and, therefore, the RWI shows a weak correlation with SPEI. Based on the statistical models, we derived the tipping point of SPEI (SPEItp) where the RWI equals 0, which means the carbon efflux by tree respiration equals carbon influx by tree photosynthesis. When the severity of drought exceeds this tipping point(i.e. SPEIsupported by the Fund for Creative Research Groups of National Natural Science Foundation of China (No. 41321001), the National Basic Research Program of China (No. 2012CB955401), the New Century Excellent Talents in University (No. NCET-10-0251), U.S. PSC-CUNY Award (PSC-CUNY-ENHC-44-83) and the High Technology Research and Development Program of China (No. 2013AA122801).

Twelve tips for applying change models to curriculum design, development and delivery.

Science.gov (United States)

McKimm, Judy; Jones, Paul Kneath

2017-10-25

Drawing primarily from business and management literature and the authors' experience, these 12 tips provide guidance to organizations, teams, and individuals involved in curriculum or program development at undergraduate, postgraduate, and continuing education levels. The tips are based around change models and approaches and can help underpin successful curriculum review, development, and delivery, as well as fostering appropriate educational innovation. A range of tools exist to support systematic program development and review, but even relatively simple changes need to take account of many factors, including the complexity of the environment, stakeholder engagement, cultural and psychological aspects, and the importance of followers.

Photolysis of 2,4,6-trinitrotoluene in seawater and estuary water: Impact of pH, temperature, salinity, and dissolved organic matter

International Nuclear Information System (INIS)

Luning Prak, Dianne J.; Breuer, James E.T.; Rios, Evelyn A.; Jedlicka, Erin E.; O'Sullivan, Daniel W.

2017-01-01

The influence of salinity, pH, temperature, and dissolved organic matter on the photolysis rate of 2,4,6-trinitrotoluene (TNT) in marine, estuary, and laboratory-prepared waters was studied using a Suntest CPS +® solar simulator equipped with optical filters. TNT degradation rates were determined using HPLC analysis, and products were identified using LC/MS. Minimal or no TNT photolysis occurred under a 395-nm long pass filter, but under a 295-nm filter, first-order TNT degradation rate constants and apparent quantum yields increased with increasing salinity in both natural and artificial seawater. TNT rate constants increased slightly with increasing temperature (10 to 32 °C) but did not change significantly with pH (6.4 to 8.1). The addition of dissolved organic matter (up to 5 mg/L) to ultrapure water, artificial seawater, and natural seawater increased the TNT photolysis rate constant. Products formed by TNT photolysis in natural seawater were determined to be 2,4,6-trinitrobenzaldehyde, 1,3,5-trinitrobenzene, 2,4,6-trinitrobenzoic acid, and 2-amino-4,6-dinitrobenzoic acid. - Highlights: • 2,4,6-trinitrotoluene (TNT) was photolyzed in marine, estuary, & laboratory waters. • TNT photolysis rates increased with increasing salinity & dissolved organic matter. • Temperature and pH had minimal impact on TNT photolysis in marine waters. • In seawater, TNT photolysis produced 1,3,5-trinitrobenzene & trinitrobenzaldehyde. • Polar products were 2,4,6-trinobenzoic acid & 2-amino-4,6-dinitrobenzoic acid.

The role of crack tip opening in corrosion fatigue for the ductile ferritic steel-water system

International Nuclear Information System (INIS)

Tomkins, B.

1977-01-01

Water vapour or a water environment can dramatically reduce the fatigue strength of structural alloys, including aluminium and steel, and this reduction can be often related to the effect of the environment on crack initiation. More recently, however, under certain circumstances, it has become clear that fatigue crack growth rates can also be increased. A limited examination of crack tip openings in ductile steels under corrosion fatigue conditions, indicates that it may be possible to develop more physically based design rules for components which operate in some aqueous environments (author)

Modeling the fate of p,p'-DDT in water and sediment of two typical estuarine bays in South China: Importance of fishing vessels' inputs.

Science.gov (United States)

Fang, Shu-Ming; Zhang, Xianming; Bao, Lian-Jun; Zeng, Eddy Y

2016-05-01

Antifouling paint applied to fishing vessels is the primary source of dichloro-diphenyl-trichloroethane (DDT) to the coastal marine environments of China. With the aim to provide science-based support of potential regulations on DDT use in antifouling paint, we utilized a fugacity-based model to evaluate the fate and impact of p,p'-DDT, the dominant component of DDT mixture, in Daya Bay and Hailing Bay, two typical estuarine bays in South China. The emissions of p,p'-DDT from fishing vessels to the aquatic environments of Hailing Bay and Daya Bay were estimated as 9.3 and 7.7 kg yr(-1), respectively. Uncertainty analysis indicated that the temporal variability of p,p'-DDT was well described by the model if fishing vessels were considered as the only direct source, i.e., fishing vessels should be the dominant source of p,p'-DDT in coastal bay areas of China. Estimated hazard quotients indicated that sediment in Hailing Bay posed high risk to the aquatic system, and it would take at least 21 years to reduce the hazards to a safe level. Moreover, p,p'-DDT tends to migrate from water to sediment in the entire Hailing Bay and Daya Bay. On the other hand, our previous research indicated that p,p'-DDT was more likely to migrate from sediment to water in the maricultured zones located in shallow waters of these two bays, where fishing vessels frequently remain. These findings suggest that relocating mariculture zones to deeper waters would reduce the likelihood of farmed fish contamination by p,p'-DDT. Copyright © 2016 Elsevier Ltd. All rights reserved.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

Science.gov (United States)

Limmer, David T.; Chandler, David

2013-06-01

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011), 10.1063/1.3643333 and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

International Nuclear Information System (INIS)

Limmer, David T.; Chandler, David

2013-01-01

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys.135, 134503 (2011) and preprint http://arxiv.org/abs/arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

Energy Technology Data Exchange (ETDEWEB)

Limmer, David T.; Chandler, David, E-mail: chandler@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States)

2013-06-07

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys.135, 134503 (2011) and preprint http://arxiv.org/abs/arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II.

Science.gov (United States)

Limmer, David T; Chandler, David

2013-06-07

This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011) and preprint arXiv:1107.0337 (2011)]. Low-temperature reversible free energy surfaces of several different atomistic models are computed: mW water, TIP4P/2005 water, Stillinger-Weber silicon, and ST2 water, the last of these comparing three different treatments of long-ranged forces. In each case, we show that there is one stable or metastable liquid phase, and there is an ice-like crystal phase. The time scales for crystallization in these systems far exceed those of structural relaxation in the supercooled metastable liquid. We show how this wide separation in time scales produces an illusion of a low-temperature liquid-liquid transition. The phenomenon suggesting metastability of two distinct liquid phases is actually coarsening of the ordered ice-like phase, which we elucidate using both analytical theory and computer simulation. For the latter, we describe robust methods for computing reversible free energy surfaces, and we consider effects of electrostatic boundary conditions. We show that sensible alterations of models and boundary conditions produce no qualitative changes in low-temperature phase behaviors of these systems, only marginal changes in equations of state. On the other hand, we show that altering sampling time scales can produce large and qualitative non-equilibrium effects. Recent reports of evidence of a liquid-liquid critical point in computer simulations of supercooled water are considered in this light.

Losses and blade tip clearance for a centrifugal compressor

Directory of Open Access Journals (Sweden)

Oana DUMITRESCU

2018-06-01

Full Text Available The present paper presents the numerical analysis for a transonic centrifugal compressor using steady state CFD. The blade tip clearance effect over the position of shock waves, tip losses and the performances of the impeller are studied. Numerical simulations have been performed using RANS modelling, with the k-omega SST turbulence model (Shear Stress Transport. Eight cases were taken into consideration for the impeller with the following blade tip clearances values: 0 mm, 0.1 mm, 0.3 mm, 0.4 mm, 0.5mm, 0.7 mm, 1 mm, 2 mm, at the same operating conditions. For the entire stage only seven cases were studied, without the value for 0.1 mm because of its abnormal behaviour, as can be seen in the case of the impeller simulations. Results showed that the position of the shock wave does not change with the increase of the tip clearance. Aerodynamic losses due to shock wave, secondary flow and turbulence can be seen in the polytropic efficiency of the centrifugal impeller and the difference between the two extreme cases is about 3.2 %.

CPAP Tips

Medline Plus

Full Text Available ... sleeping? Here are some tips from the U.S. Food and Drug Administration (FDA) on how to safely and effectively use your CPAP device. Category ... Ambulance Service 21,588 views 4:34 Obstructive Sleep Apnea ...

Tip-over Prevention: Adaptive Control Development

Science.gov (United States)

2015-05-30

Tip-over Prevention: Adaptive Control Development Leah Kelley Massachusetts Institute of Technology Cambridge, MA 02139 Email: lckelley@mit.edu Kurt...Papadopoulos and D. Rey, Proc. IEEE ICRA, vol.4, 1996, pp. 3111. [7] S. Ali, A. Moosavian, and K. Alipour, Robotics, Automation and Mechatronics , 2006 IEEE Conf...on, 2006, pp. 1–6. [8] K. Talke, L. Kelley, P. Longhini, and G. Catron, Proc. SPIE 9084, Unmanned Systems Technology XVI, June 2014, pp. 90 840L–11

Tip Clearance Control Using Plasma Actuators

Science.gov (United States)

2007-03-01

Clearance Control Using Plasma Actuators 4 posed by Denton (1993). A number of investigators have used partial shrouds, or " winglet " designs to...SDBD actuator Plasma enhanced aerodynamics has been demonstrated in a range of applications involving sepa- ration control, lift enhancement, drag... aerodynamic benefits of a squealer tip geometry. Specifically, the squealer tip is known to reduce the discharge coefficient of the tip gap, thereby

Local measurement and numerical modeling of mass/heat transfer from a turbine blade in a linear cascade with tip clearance

Science.gov (United States)

Jin, Peitong

2000-11-01

Local mass/heat transfer measurements from the turbine blade near-tip and the tip surfaces are performed using the naphthalene sublimation technique. The experiments are conducted in a linear cascade consisting of five high-pressure blades with a central test-blade configuration. The incoming flow conditions are close to those of the gas turbine engine environment (boundary layer displacement thickness is about 0.01 of chord) with an exit Reynolds number of 6.2 x 105. The effects of tip clearance level (0.86%--6.90% of chord), mainstream Reynolds number and turbulence intensity (0.2 and 12.0%) are investigated. Two methods of flow visualization---oil and lampblack, laser light sheet smoke wire---as well as static pressure measurement on the blade surface are used to study the tip leakage flow and vortex in the cascade. In addition, numerical modeling of the flow and heat transfer processes in the linear cascade with different tip clearances is conducted using commercial software incorporating advanced turbulence models. The present study confirms many important results on the tip leakage flow and vortex from the literature, contributes to the current understanding in the effects of tip leakage flow and vortex on local heat transfer from the blade near-tip and the tip surfaces, and provides detailed local and average heat/mass transfer data applicable to turbine blade tip cooling design.

Mitigation of tip vortex cavitation by means of air injection on a Kaplan turbine scale model

International Nuclear Information System (INIS)

Rivetti, A; Angulo, M; Lucino, C; Liscia, S

2014-01-01

Kaplan turbines operating at full-load conditions may undergo excessive vibration, noise and cavitation. In such cases, damage by erosion associated to tip vortex cavitation can be observed at the discharge ring. This phenomenon involves design features such as (1) overhang of guide vanes; (2) blade profile; (3) gap increasing size with blade opening; (4) suction head; (5) operation point; and (6) discharge ring stiffness, among others. Tip vortex cavitation may cause erosion at the discharge ring and draft tube inlet following a wavy pattern, in which the number of vanes can be clearly identified. Injection of pressurized air above the runner blade centerline was tested as a mean to mitigate discharge ring cavitation damage on a scale model. Air entrance was observed by means of a high-speed camera in order to track the air trajectory toward its mergence with the tip vortex cavitation core. Post-processing of acceleration signals shows that the level of vibration and the RSI frequency amplitude decrease proportionally with air flow rate injected. These findings reveal the potential mitigating effect of air injection in preventing cavitation damage and will be useful in further tests to be performed on prototype, aiming at determining the optimum air flow rate, size and distribution of the injectors

Mitigation of tip vortex cavitation by means of air injection on a Kaplan turbine scale model

Science.gov (United States)

Rivetti, A.; Angulo, M.; Lucino, C.; Liscia, S.

2014-03-01

Kaplan turbines operating at full-load conditions may undergo excessive vibration, noise and cavitation. In such cases, damage by erosion associated to tip vortex cavitation can be observed at the discharge ring. This phenomenon involves design features such as (1) overhang of guide vanes; (2) blade profile; (3) gap increasing size with blade opening; (4) suction head; (5) operation point; and (6) discharge ring stiffness, among others. Tip vortex cavitation may cause erosion at the discharge ring and draft tube inlet following a wavy pattern, in which the number of vanes can be clearly identified. Injection of pressurized air above the runner blade centerline was tested as a mean to mitigate discharge ring cavitation damage on a scale model. Air entrance was observed by means of a high-speed camera in order to track the air trajectory toward its mergence with the tip vortex cavitation core. Post-processing of acceleration signals shows that the level of vibration and the RSI frequency amplitude decrease proportionally with air flow rate injected. These findings reveal the potential mitigating effect of air injection in preventing cavitation damage and will be useful in further tests to be performed on prototype, aiming at determining the optimum air flow rate, size and distribution of the injectors.

Pre-Liver Transplant: Tips Versus Distal Splenorenal Shunt

Directory of Open Access Journals (Sweden)

Thomas W. Faust

1997-01-01

Full Text Available Recurrent variceal bleeding in liver transplant candidates with end-stage liver disease can complicate or even prohibit a subsequent transplant procedure (OLT. Endoscopic sclero-therapy and medical therapy are considered as first-line management with surgical shunts reserved for refractory situations. Surgical shunts can be associated with a high mortality in this population and may complicate subsequent OLT. The transjugular intrahepatic portosystemic shunt (TIPS has been recommended in these patients as a bridge to OLT. This is a new modality that has not been compared with previously established therapies such as the distal splenorenal shunt (DSRS. In this study we report our experience with 35 liver transplant recipients who had a previous TIPS (18 patients or DSRS (17 patients for variceal bleeding. The TIPS group had a significantly larger proportion of critically ill and Child-Pugh C patients. Mean operating time was more prolonged in the DSRS group (P=0.014 but transfusion requirements were similar. Intraoperative portal vein blood flow measurements averaged 2132±725 ml/min in the TIPS group compared with 1120±351ml/min in the DSRS group (P<0.001. Arterial flows were similar. Mean ICU and hospital stays were similar. There were 3 hospital mortalities in the DSRS group and none in the TIPS group (P=0.1. We conclude that TIPS is a valuable tool in the management of recurrent variceal bleeding prior to liver transplantation. Intra0Perative hemodynamic measurements suggest a theoretical advantage with TIPS. In a group of patients with advanced liver disease we report an outcome that is similar to patients treated with DSRS prior to liver transplantation. The role of TIPS in the treatment of nontransplant candidates remains to be clarified.

Variable Thumb Moment Arm Modeling and Thumb-Tip Force Production of a Human-Like Robotic Hand.

Science.gov (United States)

Niehues, Taylor D; Deshpande, Ashish D

2017-10-01

The anatomically correct testbed (ACT) hand mechanically simulates the musculoskeletal structure of the fingers and thumb of the human hand. In this work, we analyze the muscle moment arms (MAs) and thumb-tip force vectors in the ACT thumb in order to compare the ACT thumb's mechanical structure to the human thumb. Motion data are used to determine joint angle-dependent MA models, and thumb-tip three-dimensional (3D) force vectors are experimentally analyzed when forces are applied to individual muscles. Results are presented for both a nominal ACT thumb model designed to match human MAs and an adjusted model that more closely replicates human-like thumb-tip forces. The results confirm that the ACT thumb is capable of faithfully representing human musculoskeletal structure and muscle functionality. Using the ACT hand as a physical simulation platform allows us to gain a better understanding of the underlying biomechanical and neuromuscular properties of the human hand to ultimately inform the design and control of robotic and prosthetic hands.

Tip-modified Propellers

DEFF Research Database (Denmark)

Andersen, Poul

1999-01-01

The paper deals with tip-modified propellers and the methods which, over a period of two decades, have been applied to develop such propellers. The development is driven by the urge to increase the efficiency of propellers and can be seen as analogous to fitting end plates and winglets to aircraft...... propeller, have efficiency increases of a reasonable magnitude in both open-water and behind-ship conditions....

Processes regulating pCO2 in the surface waters of the central eastern Gotland Sea: a model study

Directory of Open Access Journals (Sweden)

Bernd Schneider

2011-09-01

Full Text Available This work presents a one-dimensional simulation of the seasonal changes in CO2 partial pressure (pCO2. The results of the model were constrained using data from observations, which improved the model's ability to estimate nitrogen fixation in the central Baltic Sea and allowed the impact of nitrogen fixation on the ecological state of the Baltic Sea to be studied. The model used here is the public domain water-column model GOTM (General Ocean Turbulence Model, which in this study was coupled with a modifed Baltic Sea ecosystem model, ERGOM (The Baltic Sea Research Institute's ecosystem model. To estimate nitrogen fixation rates in the Gotland Sea, the ERGOM model was modified by including an additional cyanobacteria group able to fix nitrogen from March to June. Furthermore, the model was extended by a simple CO2 cycle. Variable C:P and N:P ratios, controlled by phosphate concentrations in ambient water, were used to represent cyanobacteria, detritus and sediment detritus. This approach improved the model's ability to reproduce sea-surface phosphate and pCO2 dynamics. The resulting nitrogen fixation rates in 2005 for the two simulations, with and without the additional cyanobacteria group, were 259 and 278 mmol N m-2 year-1respectively.

RANS computations of tip vortex cavitation

Science.gov (United States)

Decaix, Jean; Balarac, Guillaume; Dreyer, Matthieu; Farhat, Mohamed; Münch, Cécile

2015-12-01

The present study is related to the development of the tip vortex cavitation in Kaplan turbines. The investigation is carried out on a simplified test case consisting of a NACA0009 blade with a gap between the blade tip and the side wall. Computations with and without cavitation are performed using a R ANS modelling and a transport equation for the liquid volume fraction. Compared with experimental data, the R ANS computations turn out to be able to capture accurately the development of the tip vortex. The simulations have also highlighted the influence of cavitation on the tip vortex trajectory.

A comprehensive modeling and vibration analysis of AFM microcantilevers subjected to nonlinear tip-sample interaction forces

International Nuclear Information System (INIS)

Eslami, Sohrab; Jalili, Nader

2012-01-01

Precise and accurate representation of an Atomic Force Microscopy (AFM) system is essential in studying the effects of boundary interaction forces present between the probe's tip and the sample. In this paper, a comprehensive analytical model for the AFM system utilizing a distributed-parameters based approach is proposed. More specifically, we consider two important attributes of these systems; namely the rotary inertia and shear deformation when compared with the Euler–Bernoulli beam theory. Moreover, a comprehensive nonlinear interaction force is assumed between probe's and sample in order to reveal the response of the system more realistically. This nanoscale interaction force is based on a general form consisting of both attractive and repulsive components as well as a function of the tip-sample distance and the microcantilever's base and sample oscillations. Mechanical properties of the sample could interact with the nanomechanical coupling field between the probe' tip and sample and be implemented in studying the composition information of the sample and the ultra-small features inside it. Therefore, by modulating the dynamics of the AFM system such as the driving amplitude of the microcantilever the procedure for the subsurface imaging is described. The presented approach here could be implemented for designing the AFM probes by examining the tip-sample interaction forces dominant by the van der Waals forces. Several numerical case studies are presented and the force–distance diagram reveals that the proposed nonlinear nanomechanical force along with the distributed-parameters model for the microcantilever is able to fulfill the mechanics of the Lennard–Jones potential. -- Highlights: ► We present a comprehensive distributed-parameters model for AFM microcantilever. ► Assuming a nonlinear and implicit interaction force between tip and sample. ► Timoshenko beam is compared with the Euler–Bernoulli having the same force model. ► Frequency

pH-Dependent isotope exchange and hydrogenation catalysed by water-soluble NiRu complexes as functional models for [NiFe]hydrogenases

OpenAIRE

Kure, Bunsho; Matsumoto, Takahiro; Ichikawa, Koji; Fukuzumi, Shunichi; Higuchi, Yoshiki; Yagi, Tatsuhiko; Ogo, Seiji

2008-01-01

The pH-dependent hydrogen isotope exchange reaction between gaseous isotopes and medium isotopes and hydrogenation of the carbonyl compounds have been investigated with water-soluble bis(mu-thiolate)(mu-hydride)NiRu complexes, Ni(II)(mu-SR)(2)(mu-H)Ru(II) {(mu-SR)(2) = N,N'-dimethyl-N,N'-bis(2-mercaptoethyl)-1,3-propanediamine}, as functional models for [NiFe]hydrogenases. In acidic media (at pH 4-6), the mu-H ligand of the Ni(II)(mu-SR)(2)(mu-H)Ru(II) complexes has H(+) properties, and the c...

Identification and functional analysis of endothelial tip cell-enriched genes.

Science.gov (United States)

del Toro, Raquel; Prahst, Claudia; Mathivet, Thomas; Siegfried, Geraldine; Kaminker, Joshua S; Larrivee, Bruno; Breant, Christiane; Duarte, Antonio; Takakura, Nobuyuki; Fukamizu, Akiyoshi; Penninger, Josef; Eichmann, Anne

2010-11-11

Sprouting of developing blood vessels is mediated by specialized motile endothelial cells localized at the tips of growing capillaries. Following behind the tip cells, endothelial stalk cells form the capillary lumen and proliferate. Expression of the Notch ligand Delta-like-4 (Dll4) in tip cells suppresses tip cell fate in neighboring stalk cells via Notch signaling. In DLL4(+/-) mouse mutants, most retinal endothelial cells display morphologic features of tip cells. We hypothesized that these mouse mutants could be used to isolate tip cells and so to determine their genetic repertoire. Using transcriptome analysis of retinal endothelial cells isolated from DLL4(+/-) and wild-type mice, we identified 3 clusters of tip cell-enriched genes, encoding extracellular matrix degrading enzymes, basement membrane components, and secreted molecules. Secreted molecules endothelial-specific molecule 1, angiopoietin 2, and apelin bind to cognate receptors on endothelial stalk cells. Knockout mice and zebrafish morpholino knockdown of apelin showed delayed angiogenesis and reduced proliferation of stalk cells expressing the apelin receptor APJ. Thus, tip cells may regulate angiogenesis via matrix remodeling, production of basement membrane, and release of secreted molecules, some of which regulate stalk cell behavior.

Pressurized air injection in an axial hydro-turbine model for the mitigation of tip leakage cavitation

Science.gov (United States)

Rivetti, A.; Angulo, M.; Lucino, C.; Liscia, S.

2015-12-01

Tip leakage vortex cavitation in axial hydro-turbines may cause erosion, noise and vibration. Damage due to cavitation can be found at the tip of the runner blades on the low pressure side and the discharge ring. In some cases, the erosion follows an oscillatory pattern that is related to the number of guide vanes. That might suggest that a relationship exists between the flow through the guide vanes and the tip vortex cavitating core that induces this kind of erosion. On the other hand, it is known that air injection has a beneficial effect on reducing the damage by cavitation. In this paper, a methodology to identify the interaction between guide vanes and tip vortex cavitation is presented and the effect of air injection in reducing this particular kind of erosion was studied over a range of operating conditions on a Kaplan scale model. It was found that air injection, at the expense of slightly reducing the efficiency of the turbine, mitigates the erosive potential of tip leakage cavitation, attenuates the interaction between the flow through the guide vanes and the tip vortex and decreases the level of vibration of the structural components.

Depletion of Tip60 from In Vivo Cardiomyocytes Increases Myocyte Density, Followed by Cardiac Dysfunction, Myocyte Fallout and Lethality.

Directory of Open Access Journals (Sweden)

Joseph B Fisher

Full Text Available Tat-interactive protein 60 (Tip60, encoded by the Kat5 gene, is a member of the MYST family of acetyltransferases. Cancer biology studies have shown that Tip60 induces the DNA damage response, apoptosis, and cell-cycle inhibition. Although Tip60 is expressed in the myocardium, its role in cardiomyocytes (CMs is unclear. Earlier studies here showed that application of cardiac stress to globally targeted Kat5+/-haploinsufficient mice resulted in inhibition of apoptosis and activation of the CM cell-cycle, despite only modest reduction of Tip60 protein levels. It was therefore of interest to ascertain the effects of specifically and substantially depleting Tip60 from CMs using Kat5LoxP/-;Myh6-Cre mice in the absence of stress. We report initial findings using this model, in which the effects of specifically depleting Tip60 protein from ventricular CMs, beginning at early neonatal stages, were assessed in 2-12 week-old mice. Although 5'-bromodeoxyuridine immunostaining indicated that CM proliferation was not altered at any of these stages, CM density was increased in 2 week-old ventricles, which persisted in 4 week-old hearts when TUNEL staining revealed inhibition of apoptosis. By week 4, levels of connexin-43 were depleted, and its patterning was dysmorphic, concomitant with an increase in cardiac hypertrophy marker expression and interstitial fibrosis. This was followed by systolic dysfunction at 8 weeks, after which extensive apoptosis and CM fallout occurred, followed by lethality as mice approached 12 weeks of age. In summary, chronic depletion of Tip60 from the ventricular myocardium beginning at early stages of neonatal heart development causes CM death after 8 weeks; hence, Tip60 protein has a crucial function in the heart.

Topotactic changes on η-Mo{sub 4}O{sub 11} caused by biased atomic force microscope tip and cw-laser

Energy Technology Data Exchange (ETDEWEB)

Borovšak, Miloš, E-mail: milos.borovsak@ijs.si [Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Faculty for Mathematics and Physics, Jadranska ulica 19, 1000 Ljubljana (Slovenia); Šutar, Petra; Goreshnik, Evgeny [Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Mihailovic, Dragan [Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); International Postgraduate School Jožef Stefan, Jamova cesta 39, 1000 Ljubljana (Slovenia)

2015-11-01

Highlights: • We report influencing electronic properties of η-Mo{sub 4}O{sub 11}. • With the biased AFM tip we induce the surface potential changes on η-Mo{sub 4}O{sub 11}. • We used cw-laser to induced similar effect on surface potential on η-Mo{sub 4}O{sub 11}. • We do not influence the surface and topography of the samples. • No change in topography of samples indicates the topotactic transformation. - Abstract: We present topotactic changes on Mo{sub 4}O{sub 11} crystals induced by a biased atomic force microscope tip and continuous laser. The transformation does not change the topography of the samples, while the surface potential shows remarkable changes on areas where the biased AFM tip was applied. No structural changes were observed by Raman spectroscopy, but AFM scans revealed changes to surface potential due to laser illumination. The observed phenomenon could be potentially useful for memristive memory devices considering the fact that properties of other molybdenum oxides vary from metallic to insulators.

Анализ моделей межмолекулярного взаимодействия воды на основе данных о линии Zeno

OpenAIRE

АНАШКИН И.П.; ХРИСТОЛЮБОВ Н.Р.; КЛИНОВ А.В.

2014-01-01

Были рассчитаны PVT свойства воды с использованием различных моделей взаимодействия: SPC, SPC/E, TIP4P, TIP4P/2005, TIP4P/Ew, PPC. По рассчитанным изотермам было определено положение линий Zeno для каждой из моделей. Лучшее описание экспериментальной линии Zeno показывает модель TIP4P/2005.PVT properties were calculated using different models of water: SPC, SPC/E, TIP4P, TIP4P/2005, TIP4P/Ew, PPC. The Zeno lines positions were determined by the calculated isotherms for each of the models. The...

Probing the probe: AFM tip-profiling via nanotemplates to determine Hamaker constants from phase–distance curves

International Nuclear Information System (INIS)

Rodriguez, Raul D.; Lacaze, Emmanuelle; Jupille, Jacques

2012-01-01

A method to determine the van der Waals forces from phase–distance curves recorded by atomic force microscopy (AFM) in tapping mode is presented. The relationship between the phase shift and the tip–sample distance is expressed as a function of the product of the Hamaker constant by tip radius. Silica-covered silicon tips are used to probe silica-covered silicon substrate in dry conditions to avoid capillary effects. Tips being assumed spherical, radii are determined in situ by averaging profiles recorded in different directions on hematite nanocrystals acting as nanotemplates, thus accounting for tip anisotropy. Through a series of reproducible measurements performed with tips of various radii (including the in-situ characterization of a damaged tip), a value of (6.3±0.4)×10 −20 J is found for the Hamaker constant of interacting silica surfaces in air, in good agreement with tabulated data. The results demonstrate that the onset of the tip–surface interaction is dominated by the van der Waals forces and that the total force can be modeled in the framework of the harmonic approximation. Based on the tip radius and the Hamaker constant associated to the tip–substrate system, the model is quite flexible. Once the Hamaker constant is known, a direct estimate of the tip size can be achieved whereas when the tip size is known, a quantitative evaluation of the van der Waals force becomes possible on different substrates with a spatial resolution at the nanoscale. -- Highlights: ► Van der Waal forces in tapping mode atomic force microscopy. ► Harmonic approximation model of phase–distance curves probed by simulations. ► Silica tips and surfaces as a model case. ► Tip geometry determined in situ by nanoparticles as nanotemplates. ► Method to derive the Hamaker constant for any tip/surface system.

Effects of the Tongue-in-Groove Maneuver on Nasal Tip Rotation.

Science.gov (United States)

Antunes, Marcelo B; Quatela, Vito C

2018-03-27

Changes in nasal tip rotation is a very common maneuver performed during rhinoplasty. Among the many techniques used to achieve this goal is the tongue-in-groove (TIG). This study addresses the long-term effect of the TIG on the nasal tip rotation 1 year after rhinoplasty. The authors prospectively identified patients who were submitted to a rhinoplasty with a TIG maneuver over a period of 1 year. The angle of rotation was measured along the nostril axis angle. The data was analyzed using the t-test and a linear regression model. Seventeen patients were included. The average preoperative tip rotation was 93.95° (SD, 3.12°). Immediate postoperative tip rotation averaged 114.47° (SD, 3.79°). At the 1-year follow-up appointment, the tip rotation averaged 106.55° (SD, 3.54°). There was a significant loss of rotation at the 1-year postoperative visit (pTIG is a more dependable technique than the ones that rely on healing and contraction to obtain rotation. Our data demonstrated a significant loss of rotation during the first year. This suggests that the surgeon needs to slightly overcorrect the tip rotation to account for this loss.

Comparison of simulation and experimental results for a model aqueous tert-butanol solution

Science.gov (United States)

Overduin, S. D.; Patey, G. N.

2017-07-01

Molecular dynamics simulations are used to investigate the behavior of aqueous tert-butanol (TBA) solutions for a range of temperatures, using the CHARMM generalized force field (CGenFF) to model TBA and the TIP4P/2005 or TIP4P-Ew water model. Simulation results for the density, isothermal compressibility, constant pressure heat capacity, and self-diffusion coefficients are in good accord with experimental measurements. Agreement with the experiment is particularly good at low TBA concentration, where experiments have revealed anomalies in a number of thermodynamic properties. Importantly, the CGenFF model does not exhibit liquid-liquid demixing at temperatures between 290 and 320 K (for systems of 32 000 molecules), in contrast with the situation for several other common TBA models [R. Gupta and G. N. Patey, J. Chem. Phys. 137, 034509 (2012)]. However, whereas real water and TBA are miscible at all temperatures where the liquid is stable, we observe some evidence of demixing at 340 K and above. To evaluate the structural properties at low concentrations, we compare with both neutron scattering and recent spectroscopic measurements. This reveals that while the CGenFF model is a definite improvement over other models that have been considered, the TBA molecules still exhibit a tendency to associate at low concentrations that is somewhat stronger than that indicated by experiments. Finally, we discuss the range and decay times of the long-range correlations, providing an indication of the system size and simulation times that are necessary in order to obtain reliable results for certain properties.

New tips for structure prediction by comparative modeling

Science.gov (United States)

Rayan, Anwar

2009-01-01

Comparative modelling is utilized to predict the 3-dimensional conformation of a given protein (target) based on its sequence alignment to experimentally determined protein structure (template). The use of such technique is already rewarding and increasingly widespread in biological research and drug development. The accuracy of the predictions as commonly accepted depends on the score of sequence identity of the target protein to the template. To assess the relationship between sequence identity and model quality, we carried out an analysis of a set of 4753 sequence and structure alignments. Throughout this research, the model accuracy was measured by root mean square deviations of Cα atoms of the target-template structures. Surprisingly, the results show that sequence identity of the target protein to the template is not a good descriptor to predict the accuracy of the 3-D structure model. However, in a large number of cases, comparative modelling with lower sequence identity of target to template proteins led to more accurate 3-D structure model. As a consequence of this study, we suggest new tips for improving the quality of omparative models, particularly for models whose target-template sequence identity is below 50%. PMID:19255646

CO2 diffusion in champagne wines: a molecular dynamics study.

Science.gov (United States)

Perret, Alexandre; Bonhommeau, David A; Liger-Belair, Gérard; Cours, Thibaud; Alijah, Alexander

2014-02-20

Although diffusion is considered as the main physical process responsible for the nucleation and growth of carbon dioxide bubbles in sparkling beverages, the role of each type of molecule in the diffusion process remains unclear. In the present study, we have used the TIP5P and SPC/E water models to perform force field molecular dynamics simulations of CO2 molecules in water and in a water/ethanol mixture respecting Champagne wine proportions. CO2 diffusion coefficients were computed by applying the generalized Fick's law for the determination of multicomponent diffusion coefficients, a law that simplifies to the standard Fick's law in the case of champagnes. The CO2 diffusion coefficients obtained in pure water and water/ethanol mixtures composed of TIP5P water molecules were always found to exceed the coefficients obtained in mixtures composed of SPC/E water molecules, a trend that was attributed to a larger propensity of SPC/E water molecules to form hydrogen bonds. Despite the fact that the SPC/E model is more accurate than the TIP5P model to compute water self-diffusion and CO2 diffusion in pure water, the diffusion coefficients of CO2 molecules in the water/ethanol mixture are in much better agreement with the experimental values of 1.4 - 1.5 × 10(-9) m(2)/s obtained for Champagne wines when the TIP5P model is employed. This difference was deemed to rely on the larger propensity of SPC/E water molecules to maintain the hydrogen-bonded network between water molecules and form new hydrogen bonds with ethanol, although statistical issues cannot be completely excluded. The remarkable agreement between the theoretical CO2 diffusion coefficients obtained within the TIP5P water/ethanol mixture and the experimental data specific to Champagne wines makes us infer that the diffusion coefficient in these emblematic hydroalcoholic sparkling beverages is expected to remain roughly constant whathever their proportions in sugars, glycerol, or peptides.

Experimental investigation of the wake behind a model of wind turbine in a water flume

International Nuclear Information System (INIS)

Okulov, V L; Mikkelsen, R; Sørensen, J N; Naumov, I N; Kabardin, I

2014-01-01

The flow behind the model of wind turbine rotor is investigated experimentally in a water flume using Particle Image Velocimetry. The study carried out involves rotors of three bladed wind turbine designed using Glauert's optimization. The transitional regime, generally characterized as in between the regime governed by stable organized vortical structures and the turbulent wake, develops from disturbances of the tip and root vorticies through vortex paring and further complex behaviour towards the fully turbulent wake. Our PIV measurements pay special attention to the onset of the instabilities. The near wake characteristics (development of expansion, tip vortex position, deficit velocity and rotation in the wake) have been measured for different tip speed ratio to compare with main assumptions and conclusions of various rotor theories

Experimental investigation of the wake behind a model of wind turbine in a water flume

DEFF Research Database (Denmark)

Okulov, Valery; Naumov, Igor; Kabardin, I.

2014-01-01

The flow behind the model of wind turbine rotor is investigated experimentally in a water flume using Particle Image Velocimetry. The study carried out involves rotors of three bladed wind turbine designed using Glauert’s optimization. The transitional regime, generally characterized as in between...... the regime governed by stable organized vortical structures and the turbulent wake, develops from disturbances of the tip and root vorticies through vortex paring and further complex behaviour towards the fully turbulent wake. Our PIV measurements pay special attention to the onset of the instabilities....... The near wake characteristics (development of expansion, tip vortex position, deficit velocity and rotation in the wake) have been measured for different tip speed ratio to compare with main assumptions and conclusions of various rotor theories....

Analysis of disturbances in a hypersonic boundary layer on a cone with heating/cooling of the nose tip

Science.gov (United States)

Bountin, Dmitry; Maslov, Anatoly; Gromyko, Yury

2018-05-01

Experimental results of the influence of local heating/cooling on the development of hypersonic boundary layer disturbances are reported. Local heating/cooling is applied at the cone nose tip. The experiments are carried out at the Mach number M = 5.95, stagnation temperature T0 = 360-418 K, and stagnation pressure P0 = 3.7-45 atm. The unit Reynolds number is varied in the interval Re1 = (4.5-63) × 106 m-1. The investigations are conducted in the boundary layer on a cone with an apex half-angle of 7° and varied bluntness radius of the nose tip [R = 0.03 (sharp nose), 0.75, and 1.5 mm] for different values of the local temperature factor. The nose tip is heated by an ohmic heater. Cooling is performed by supplying liquid nitrogen into the internal cavity of the model nose. A comparative analysis of pressure pulsation spectra on the cone surface is performed. It is demonstrated that heating/cooling in the case of a sharp cone leads to flow destabilization/stabilization. The opposite effect is observed for blunted cones: heating/cooling stabilizes/destabilizes the second-mode disturbances. This effect is enhanced by increasing the nose tip bluntness. All the observed effects vanish with distance downstream from the nose tip.

Quantum mechanical/molecular mechanical modeling finds Diels-Alder reactions are accelerated less on the surface of water than in water.

Science.gov (United States)

Thomas, Laura L; Tirado-Rives, Julian; Jorgensen, William L

2010-03-10

Quantum and molecular mechanics calculations for the Diels-Alder reactions of cyclopentadiene with 1,4-naphthoquinone, methyl vinyl ketone, and acrylonitrile have been carried out at the vacuum-water interface and in the gas phase. In conjunction with previous studies of these cycloadditions in dilute solution, a more complete picture of aqueous environmental effects emerges with implications for the origin of observed rate accelerations using heterogeneous aqueous suspensions, "on water" conditions. The pure TIP4P water slab maintains the bulk density and hydrogen-bonding properties in central water layers. The bulk region merges to vacuum over a ca. 5 A band with progressive diminution of the density and hydrogen bonding. The relative free energies of activation and transition structures for the reactions at the interface are found to be intermediate between those calculated in the gas phase and in bulk water; i.e., for the reaction with 1,4-naphthoquinone, the DeltaDeltaG(++) values relative to the gas phase are -3.6 and -7.3 kcal/mol at the interface and in bulk water, respectively. Thus, the results do not support the notion that a water surface is more effective than bulk water for catalysis of such pericyclic reactions. The trend is in qualitative agreement with expectations based on density considerations and estimates of experimental rate constants for the gas phase, a heterogeneous aqueous suspension, and a dilute aqueous solution for the reaction of cyclopentadiene with methyl vinyl ketone. Computed energy pair distributions reveal a uniform loss of 0.5-1.0 hydrogen bond for the reactants and transition states in progressing from bulk water to the vacuum-water interface. Orientational effects are apparent at the surface; e.g., the carbonyl group in the methyl vinyl ketone transition structure is preferentially oriented into the surface. Also, the transition structure for the 1,4-naphthoquinone case is buried more in the surface, and the free energy of

Modeling growth of three bakery product spoilage molds as a function of water activity, temperature and pH.

Science.gov (United States)

Dagnas, Stéphane; Onno, Bernard; Membré, Jeanne-Marie

2014-09-01

The objective of this study was to quantify the effect of water activity, pH and storage temperature on the growth of Eurotium repens, Aspergillus niger and Penicillium corylophilum, isolated from spoiled bakery products. Moreover, the behaviors of these three mold species were compared to assess whether a general modeling framework may be set and re-used in future research on bakery spoilage molds. The mold growth was modeled by building two distinct Gamma-type secondary models: one on the lag time for growth and another one on the radial growth rate. A set of 428 experimental growth curves was generated. The effect of temperature (15-35 °C), water activity (0.80-0.98) and pH (3-7) was assessed. Results showed that it was not possible to apply the same set of secondary model equations to the three mold species given that the growth rate varied significantly with the factors pH and water activity. In contrast, the temperature effect on both growth rate and lag time of the three mold species was described by the same equation. The equation structure and model parameter values of the Gamma models were also compared per mold species to assess whether a relationship between lag time and growth rate existed. There was no correlation between the two growth responses for E. repens, but a slight one for A. niger and P. corylophilum. These findings will help in determining bakery product shelf-life and guiding future work in the predictive mycology field. Copyright © 2014 Elsevier B.V. All rights reserved.

Tipping news in information accumulation system

Science.gov (United States)

Shin, J. K.

2010-05-01

As a continuous opinion dynamics model, the information accumulation system (IAS) includes three basic mechanisms of the news, the inheritance and the diffusion as contributing to the information accumulation process of a system. A system is composed of agents who diffuse information through internal interaction, while each of them has incomplete memory or inheritance rate. The news comes from external sources of information, such as mass media. Previously the model IAS was studied only for the small news problems. In this study, a tipping news problem is considered. A key question of the problem is: what is the minimum strength of advertisement that can tip the minority opinion to a majority one? Dynamics of the IAS is briefly revisited with a special interest on nonlinear behavior of the model. In particular, it is shown that a discrete map of the IAS for a single color problem can be transformed into a logistic map, from which the dynamics of the IAS can be better understood. To show the applicability of the IAS model, the result is applied to explain the concept of the critical population size, which claims that there is a minimum population size for a social knowledge system to be continuously inherited without being lost. And critical size of the tipping news is found analytically in terms of IAS parameters. Some of the key results from the present study are compared in detail with the results from the Brownian particle model, which is believed to be the most similar model to the IAS. The concept of tipping news is used to show that a traditional society can tip at an exceptionally low inter-community exposure. Finally, the result was applied to the language competition problem.

A Water and Energy Community of Practice (WECoP)

Science.gov (United States)

Houser, P. R.

2008-12-01

collaborate over an extended period to share ideas, find solutions, and build innovations. It refers as well to the stable group that is formed from such regular interactions. A CoP consists of three elements; developing these elements will cultivate the CoP: (1) A shared domain of interest - in this case water, (2) CoP members communicate, share information, engage in joint activities and learn from each other, and (3) Members of the CoP are engaged in a shared practice - developing a shared repertoire of resources, experiences, stories, case studies and tools. The NASA water-cycle solutions network project (WaterNet) mission is to improve our collective ability to routinely interact with and harness the results of scientific research so as to address water assessment, prediction and management challenges. This presentation will detail how WaterNet activities are helping to foster and enable a Water and Energy cycle CoP (WECoP), and how partnerships are cultivating an international Water Cycle Community of Practice, as follows: (1) Demonstration project and case studies. (2) Development of a web-based information portal, for sharing ideas and information. (3) Development of a knowledge base and water information search utility. (4) Fostering partnerships amon: CUAHSI, ESIP, NIDIS, GEOSS, GEWEX, NEWS, NCAR, etc. (5) Developing a newsletters and information guides. (6) Education and outreach activities. (7) Developing community-wide user needs, research capabilities and gap assessments. (8) Development of data integration capabilities. (9) Development of rapid-prototyping, test-bed and benchmarking capabilities. (10) Development and sharing of data, model and decision tool assets.

Deciphering the regulation of P2X4 receptor channel gating by ivermectin using Markov models.

Directory of Open Access Journals (Sweden)

Laurent Mackay

2017-07-01

Full Text Available The P2X4 receptor (P2X4R is a member of a family of purinergic channels activated by extracellular ATP through three orthosteric binding sites and allosterically regulated by ivermectin (IVM, a broad-spectrum antiparasitic agent. Treatment with IVM increases the efficacy of ATP to activate P2X4R, slows both receptor desensitization during sustained ATP application and receptor deactivation after ATP washout, and makes the receptor pore permeable to NMDG+, a large organic cation. Previously, we developed a Markov model based on the presence of one IVM binding site, which described some effects of IVM on rat P2X4R. Here we present two novel models, both with three IVM binding sites. The simpler one-layer model can reproduce many of the observed time series of evoked currents, but does not capture well the short time scales of activation, desensitization, and deactivation. A more complex two-layer model can reproduce the transient changes in desensitization observed upon IVM application, the significant increase in ATP-induced current amplitudes at low IVM concentrations, and the modest increase in the unitary conductance. In addition, the two-layer model suggests that this receptor can exist in a deeply inactivated state, not responsive to ATP, and that its desensitization rate can be altered by each of the three IVM binding sites. In summary, this study provides a detailed analysis of P2X4R kinetics and elucidates the orthosteric and allosteric mechanisms regulating its channel gating.

Sensitivities and Tipping Points of Power System Operations to Fluctuations Caused by Water Availability and Fuel Prices

Science.gov (United States)

O'Connell, M.; Macknick, J.; Voisin, N.; Fu, T.

2017-12-01

The western US electric grid is highly dependent upon water resources for reliable operation. Hydropower and water-cooled thermoelectric technologies represent 67% of generating capacity in the western region of the US. While water resources provide a significant amount of generation and reliability for the grid, these same resources can represent vulnerabilities during times of drought or low flow conditions. A lack of water affects water-dependent technologies and can result in more expensive generators needing to run in order to meet electric grid demand, resulting in higher electricity prices and a higher cost to operate the grid. A companion study assesses the impact of changes in water availability and air temperatures on power operations by directly derating hydro and thermo-electric generators. In this study we assess the sensitivities and tipping points of water availability compared with higher fuel prices in electricity sector operations. We evaluate the impacts of varying electricity prices by modifying fuel prices for coal and natural gas. We then analyze the difference in simulation results between changes in fuel prices in combination with water availability and air temperature variability. We simulate three fuel price scenarios for a 2010 baseline scenario along with 100 historical and future hydro-climate conditions. We use the PLEXOS electricity production cost model to optimize power system dispatch and cost decisions under each combination of fuel price and water constraint. Some of the metrics evaluated are total production cost, generation type mix, emissions, transmission congestion, and reserve procurement. These metrics give insight to how strained the system is, how much flexibility it still has, and to what extent water resource availability or fuel prices drive changes in the electricity sector operations. This work will provide insights into current electricity operations as well as future cases of increased penetration of variable

Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.

Science.gov (United States)

Bhatnagar, Navendu; Kamath, Ganesh; Chelst, Issac; Potoff, Jeffrey J

2012-07-07

The 1-octanol-water partition coefficient log K(ow) of a solute is a key parameter used in the prediction of a wide variety of complex phenomena such as drug availability and bioaccumulation potential of trace contaminants. In this work, adaptive biasing force molecular dynamics simulations are used to determine absolute free energies of hydration, solvation, and 1-octanol-water partition coefficients for n-alkanes from methane to octane. Two approaches are evaluated; the direct transfer of the solute from 1-octanol to water phase, and separate transfers of the solute from the water or 1-octanol phase to vacuum, with both methods yielding statistically indistinguishable results. Calculations performed with the TIP4P and SPC∕E water models and the TraPPE united-atom force field for n-alkanes show that the choice of water model has a negligible effect on predicted free energies of transfer and partition coefficients for n-alkanes. A comparison of calculations using wet and dry octanol phases shows that the predictions for log K(ow) using wet octanol are 0.2-0.4 log units lower than for dry octanol, although this is within the statistical uncertainty of the calculation.

Complex Regulation of Prolyl-4-Hydroxylases Impacts Root Hair Expansion

DEFF Research Database (Denmark)

Velasquez, Silvia M; Ricardi, Martiniano M; Poulsen, Christian Peter

2015-01-01

Root hairs are single cells that develop by tip growth, a process shared with pollen tubes, axons, and fungal hyphae. However, structural plant cell walls impose constraints to accomplish tip growth. In addition to polysaccharides, plant cell walls are composed of hydroxyproline-rich glycoproteins......5, and to a lesser extent P4H2 and P4H13, are pivotal for root hair tip growth. Second, we demonstrate that P4H5 has in vitro preferred specificity for EXT substrates rather than for other HRGPs. Third, by P4H promoter and protein swapping approaches, we show that P4H2 and P4H13 have interchangeable...... peptidyl-proline hydroxylation on EXTs, and possibly in other HRGPs, is required for proper cell wall self-assembly and hence root hair elongation in Arabidopsis thaliana....

The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

Energy Technology Data Exchange (ETDEWEB)

Demontis, Pierfranco; Suffritti, Giuseppe B. [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Gulín-González, Jorge [Grupo de Matemática y Física Computacionales, Universidad de las Ciencias Informáticas (UCI), Carretera a San Antonio de los Baños, Km 21/2, La Lisa, La Habana (Cuba); Masia, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di ricerca di Sassari, Via Vienna, 2, I-07100 Sassari (Italy); Istituto Officina dei Materiali del CNR, UOS SLACS, Via Vienna 2, 07100 Sassari (Italy); Sant, Marco [Dipartimento di Chimica e Farmacia, Università degli studi di Sassari, Sassari (Italy)

2015-06-28

In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible

Reduction of TIP30 in esophageal squamous cell carcinoma cells involves promoter methylation and microRNA-10b

Energy Technology Data Exchange (ETDEWEB)

Dong, Wenjie, E-mail: dongwenjie200581@126.com [Department of Internal Medicine-Oncology, The First Affiliated Hospital, Zhengzhou University (China); Shen, Ruizhe; Cheng, Shidan [Department of Gastroenterology, Rui-jin Hospital, Shanghai Jiao Tong University, Shanghai (China)

2014-10-31

Highlights: • TIP30 expression is frequently suppressed in ESCC. • TIP30 was hypermethylated in ESCC. • Reduction of TIP30 was significantly correlated with LN metastasis. • miR-10b is a direct regulator of TIP30. - Abstract: TIP30 is a putative tumor suppressor that can promote apoptosis and inhibit angiogenesis. However, the role of TIP30 in esophageal squamous cell carcinoma (ESCC) biology has not been investigated. Immunohistochemistry was used to investigate the expression of TIP30 in 70 ESCC. Hypermethylation of TIP30 was evaluated by the methylation specific PCR (MSP) method in ESCC (tumor and paired adjacent non-tumor tissues). Lost expression of TIP30 was observed in 50 of 70 (71.4%) ESCC. 61.4% (43 of 70) of primary tumors analyzed displayed TIP30 hypermethylation, indicating that this aberrant characteristic is common in ESCC. Moreover, a statistically significant inverse association was found between TIP30 methylation status and expression of the TIP30 protein in tumor tissues (p = 0.001). We also found that microRNA-10b (miR-10b) targets a homologous DNA region in the 3′untranslated region of the TIP30 gene and represses its expression at the transcriptional level. Reporter assay with 3′UTR of TIP30 cloned downstream of the luciferase gene showed reduced luciferase activity in the presence of miR-10b, providing strong evidence that miR-10b is a direct regulator of TIP30. These results suggest that TIP30 expression is regulated by promoter methylation and miR-10b in ESCC.

Ecohydrology and tipping points in semiarid australian rangelands

Science.gov (United States)

Saco, P. M.; Azadi, S.; Moreno de las Heras, M.; Willgoose, G. R.

2017-12-01

Semiarid landscapes are often characterised by a spatially heterogeneous vegetation cover forming mosaics of patches with dense vegetation within bare soil. This patchy vegetation cover, which is linked to the healthy function of these ecosystems, is sensitive to human disturbances that can lead to degradation. Previous work suggests that vegetation loss below a critical value can lead to a sudden decrease in landscape functionality following threshold behaviour. The decrease in vegetation cover is linked to erosion and substantial water losses by increasing landscape hydrological connectivity. We study these interactions and the possible existence of tipping points in the Mulga land bioregion, by combining remote sensing observations and results from an eco-geomorphologic model to investigate changes in ecosystem connectivity and the existence of threshold behaviour. More than 30 sites were selected along a precipitation gradient spanning a range from approximately 250 to 500 mm annual rainfall. The analysis of vegetation patterns is derived from high resolution remote sensing images (IKONOS, QuickBird, Pleiades) and MODIS NDVI, which combined with local precipitation data is used to compute rainfall use efficiency to assess the ecosystem function. A critical tipping point associated to loss of vegetation cover appears in the sites with lower annual precipitation. We found that this tipping point behaviour decreases for sites with higher rainfall. We use the model to investigate the relation between structural and functional connectivity and the emergence of threshold behaviour for selected plots along this precipitation gradient. Both observations and modelling results suggest that sites with higher rainfall are more resilient to changes in surface connectivity. The implications for ecosystem resilience and land management are discussed

Removal of artificial dental calculus by use of conventional and diamond ultrasound tips.

Directory of Open Access Journals (Sweden)

Roberto Carlos Mourão Pinho

2017-04-01

Full Text Available Introduction: Periodontal disease is considered a public health problem and may lead to serious complications as the general health of patient. The main therapeutic procedure is scaling and root planing, which can be performed by a variety of techniques and instruments Objective:The aim of the present study was to evaluate the removal of calculus, produced artificially, by using a conventional ultrasonic tip and a diamond – CVD tip. Method: The calculus was produced with artificial sawdust and glue-based cyanoacrylate and distributed in twenty areas also standardized on two plates of acrylic resin (chemical activated, holding 10 samples per plate. Standards / samples were divided by lot into two simple groups, being A (treated with conventional tip and B (treated with CVD tip. Results:The treatment in Group A, promoted an average area of 20.48 ± 4.20 mm2 free of artificial calculus which is significantly higher (p <0.05 than the area removed in Group B (15.37 ± 5.29 mm2. Conclusion:The results showed that the conventional tip presented higher results than CVD tip for efficacy in the removal of calculus.

Effects of transjugular intrahepatic portosystemic shunt (TIPS) on blood volume distribution in patients with cirrhosis

DEFF Research Database (Denmark)

Busk, Troels M; Bendtsen, Flemming; Henriksen, Jens H

2017-01-01

increased (+22%, prestores central hypovolaemia......BACKGROUND: Cirrhosis is accompanied by portal hypertension with splanchnic and systemic arterial vasodilation, and central hypovolaemia. A transjugular intrahepatic portosystemic shunt (TIPS) alleviates portal hypertension, but also causes major haemodynamic changes. AIMS: To investigate effects...... catheterization. Central and arterial blood volume (CBV) and cardiac output (CO) were determined with indicator dilution technique. RESULTS: After TIPS, the thoracic blood volume increased (+10.4% of total blood volume (TBV), p

Thermal conductivity of water: Molecular dynamics and generalized hydrodynamics results

Science.gov (United States)

Bertolini, Davide; Tani, Alessandro

1997-10-01

Equilibrium molecular dynamics simulations have been carried out in the microcanonical ensemble at 300 and 255 K on the extended simple point charge (SPC/E) model of water [Berendsen et al., J. Phys. Chem. 91, 6269 (1987)]. In addition to a number of static and dynamic properties, thermal conductivity λ has been calculated via Green-Kubo integration of the heat current time correlation functions (CF's) in the atomic and molecular formalism, at wave number k=0. The calculated values (0.67+/-0.04 W/mK at 300 K and 0.52+/-0.03 W/mK at 255 K) are in good agreement with the experimental data (0.61 W/mK at 300 K and 0.49 W/mK at 255 K). A negative long-time tail of the heat current CF, more apparent at 255 K, is responsible for the anomalous decrease of λ with temperature. An analysis of the dynamical modes contributing to λ has shown that its value is due to two low-frequency exponential-like modes, a faster collisional mode, with positive contribution, and a slower one, which determines the negative long-time tail. A comparison of the molecular and atomic spectra of the heat current CF has suggested that higher-frequency modes should not contribute to λ in this temperature range. Generalized thermal diffusivity DT(k) decreases as a function of k, after an initial minor increase at k=kmin. The k dependence of the generalized thermodynamic properties has been calculated in the atomic and molecular formalisms. The observed differences have been traced back to intramolecular or intermolecular rotational effects and related to the partial structure functions. Finally, from the results we calculated it appears that the SPC/E model gives results in better agreement with experimental data than the transferable intermolecular potential with four points TIP4P water model [Jorgensen et al., J. Chem. Phys. 79, 926 (1983)], with a larger improvement for, e.g., diffusion, viscosities, and dielectric properties and a smaller one for thermal conductivity. The SPC/E model shares

Topotactic changes on η-Mo4O11 caused by biased atomic force microscope tip and cw-laser

Science.gov (United States)

Borovšak, Miloš; Šutar, Petra; Goreshnik, Evgeny; Mihailovic, Dragan

2015-11-01

We present topotactic changes on Mo4O11 crystals induced by a biased atomic force microscope tip and continuous laser. The transformation does not change the topography of the samples, while the surface potential shows remarkable changes on areas where the biased AFM tip was applied. No structural changes were observed by Raman spectroscopy, but AFM scans revealed changes to surface potential due to laser illumination. The observed phenomenon could be potentially useful for memristive memory devices considering the fact that properties of other molybdenum oxides vary from metallic to insulators.

Wind-tunnel modelling of the tip-speed ratio influence on the wake evolution

Science.gov (United States)

Stein, Victor P.; Kaltenbach, Hans-Jakob

2016-09-01

Wind-tunnel measurements on the near-wake evolution of a three bladed horizontal axis wind turbine model (HAWT) in the scale 1:O(350) operating in uniform flow conditions and within a turbulent boundary layer at different tip speed ratios are presented. Operational conditions are chosen to exclude Reynolds number effects regarding the turbulent boundary layer as well as the rotor performance. Triple-wire anemometry is used to measure all three velocity components in the mid-vertical and mid-horizontal plane, covering the range from the near- to the far-wake region. In order to analyse wake properties systematically, power and thrust coefficients of the turbine were measured additionally. It is confirmed that realistic modelling of the wake evolution is not possible in a low-turbulence uniform approach flow. Profiles of mean velocity and turbulence intensity exhibit large deviations between the low-turbulence uniform flow and the turbulent boundary layer, especially in the far-wake region. For nearly constant thrust coefficients differences in the evolution of the near-wake can be identified for tip speed ratios in the range from 6.5 to 10.5. It is shown that with increasing downstream distances mean velocity profiles become indistinguishable whereas for turbulence statistics a subtle dependency on the tip speed ratio is still noticeable in the far-wake region.

Optimization of linear and branched alkane interactions with water to simulate hydrophobic hydration

Science.gov (United States)

Ashbaugh, Henry S.; Liu, Lixin; Surampudi, Lalitanand N.

2011-08-01

Previous studies of simple gas hydration have demonstrated that the accuracy of molecular simulations at capturing the thermodynamic signatures of hydrophobic hydration is linked both to the fidelity of the water model at replicating the experimental liquid density at ambient pressure and an accounting of polarization interactions between the solute and water. We extend those studies to examine alkane hydration using the transferable potentials for phase equilibria united-atom model for linear and branched alkanes, developed to reproduce alkane phase behavior, and the TIP4P/2005 model for water, which provides one of the best descriptions of liquid water for the available fixed-point charge models. Alkane site/water oxygen Lennard-Jones cross interactions were optimized to reproduce the experimental alkane hydration free energies over a range of temperatures. The optimized model reproduces the hydration free energies of the fitted alkanes with a root mean square difference between simulation and experiment of 0.06 kcal/mol over a wide temperature range, compared to 0.44 kcal/mol for the parent model. The optimized model accurately reproduces the temperature dependence of hydrophobic hydration, as characterized by the hydration enthalpies, entropies, and heat capacities, as well as the pressure response, as characterized by partial molar volumes.

Experiment and mathematical model for the heat transfer in water around 4 °C

Science.gov (United States)

Ogawa, Naohisa; Kaneko, Fumitoshi

2017-03-01

Water, which is the habitat for a variety of living creatures, has a maximum density at 4.0 °C. This crucial property is considered to play a very important role in the biology of a lake and also has a close relationship with the areas of environmentology and geoscience. It would be desirable for students to confirm this important property of water themselves by carrying out simple experiments. However, it is not easy to detect the maximum density at 4.0 °C because the temperature dependence of the water density is very small close to its freezing point. For example, the density of water is 0.999 975 g cm-3 at 4.0 °C and 0.999 850 g cm-3 at 0.1 °C. The aim in this manuscript is to demonstrate a simple experiment to detect 4.0 °C as the temperature of maximum density, in which the time dependence of the water temperature is measured at several different depths by chilling the water surface. This is a simple experiment that can also be performed by high school students. We also present a mathematical model that can explain the results of this experiment.

Phenomenological optical model for p-/sup 4/He elastic scattering. [560 to 1730 MeV: Dirac equation optical model analysis

Energy Technology Data Exchange (ETDEWEB)

Mercer, R L [International Business Machines Corp., Yorktown Heights, N.Y. (USA); Arnold, L G; Clark, B C [Ohio State Univ., Columbus (USA). Dept. of Physics

1978-01-30

The results of a Dirac equation optical model analysis of p-/sup 4/He elastic scattering data are reported. The optical potential obtained at 1029 MeV reproduces the systematics of p-/sup 4/He data over the energy range from 560 to 1730 MeV.

A surprisingly simple correlation between the classical and quantum structural networks in liquid water

Science.gov (United States)

Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

2017-08-01

Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to the structure, dynamics, spectroscopy, and transport. Although several of water's macroscopic properties can be reproduced by classical descriptions of the nuclei using interaction potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen-bonded structural networks in liquid water resulting from the classical (class) and quantum (qm) descriptions of the nuclei with two interaction potentials that are at the two opposite ends of the range in describing quantum effects, namely the flexible, pair-wise additive q-TIP4P/F, and the flexible, polarizable TTM3-F, we found that the (class) and (qm) results can be superimposed over the temperature range T = 250-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(qm) = α T(class) + ΔT, where α = 0.99 and ΔT = -6 K for q-TIP4P/F and α = 1.24 and ΔT = -64 K for TTM3-F. This simple relationship suggests that the structural networks resulting from the quantum and classical treatment of the nuclei with those two very different interaction potentials are essentially similar to each other over this extended temperature range once a model-dependent linear temperature scaling law is applied.

Cutting efficiency of apical preparation using ultrasonic tips with microprojections: confocal laser scanning microscopy study.

Science.gov (United States)

Kwak, Sang-Won; Moon, Young-Mi; Yoo, Yeon-Jee; Baek, Seung-Ho; Lee, WooCheol; Kim, Hyeon-Cheol

2014-11-01

The purpose of this study was to compare the cutting efficiency of a newly developed microprojection tip and a diamond-coated tip under two different engine powers. The apical 3-mm of each root was resected, and root-end preparation was performed with upward and downward pressure using one of the ultrasonic tips, KIS-1D (Obtura Spartan) or JT-5B (B&L Biotech Ltd.). The ultrasonic engine was set to power-1 or -4. Forty teeth were randomly divided into four groups: K1 (KIS-1D / Power-1), J1 (JT-5B / Power-1), K4 (KIS-1D / Power-4), and J4 (JT-5B / Power-4). The total time required for root-end preparation was recorded. All teeth were resected and the apical parts were evaluated for the number and length of cracks using a confocal scanning micrscope. The size of the root-end cavity and the width of the remaining dentin were recorded. The data were statistically analyzed using two-way analysis of variance and a Mann-Whitney test. There was no significant difference in the time required between the instrument groups, but the power-4 groups showed reduced preparation time for both instrument groups (p < 0.05). The K4 and J4 groups with a power-4 showed a significantly higher crack formation and a longer crack irrespective of the instruments. There was no significant difference in the remaining dentin thickness or any of the parameters after preparation. Ultrasonic tips with microprojections would be an option to substitute for the conventional ultrasonic tips with a diamond coating with the same clinical efficiency.

Modeling soil water content for vegetation modeling improvement

Science.gov (United States)

Cianfrani, Carmen; Buri, Aline; Zingg, Barbara; Vittoz, Pascal; Verrecchia, Eric; Guisan, Antoine

2016-04-01

Soil water content (SWC) is known to be important for plants as it affects the physiological processes regulating plant growth. Therefore, SWC controls plant distribution over the Earth surface, ranging from deserts and grassland to rain forests. Unfortunately, only a few data on SWC are available as its measurement is very time consuming and costly and needs specific laboratory tools. The scarcity of SWC measurements in geographic space makes it difficult to model and spatially project SWC over larger areas. In particular, it prevents its inclusion in plant species distribution model (SDMs) as predictor. The aims of this study were, first, to test a new methodology allowing problems of the scarcity of SWC measurements to be overpassed and second, to model and spatially project SWC in order to improve plant SDMs with the inclusion of SWC parameter. The study was developed in four steps. First, SWC was modeled by measuring it at 10 different pressures (expressed in pF and ranging from pF=0 to pF=4.2). The different pF represent different degrees of soil water availability for plants. An ensemble of bivariate models was built to overpass the problem of having only a few SWC measurements (n = 24) but several predictors to include in the model. Soil texture (clay, silt, sand), organic matter (OM), topographic variables (elevation, aspect, convexity), climatic variables (precipitation) and hydrological variables (river distance, NDWI) were used as predictors. Weighted ensemble models were built using only bivariate models with adjusted-R2 > 0.5 for each SWC at different pF. The second step consisted in running plant SDMs including modeled SWC jointly with the conventional topo-climatic variable used for plant SDMs. Third, SDMs were only run using the conventional topo-climatic variables. Finally, comparing the models obtained in the second and third steps allowed assessing the additional predictive power of SWC in plant SDMs. SWC ensemble models remained very good, with

Direction of the J-Tip of the Guidewire to Decrease the Malposition Rate of an Internal Jugular Vein Catheter

Directory of Open Access Journals (Sweden)

Byeong jun Ahn

2015-11-01

Full Text Available Background We hypothesized that the direction of the J-tip of the guidewire during insertion into the internal jugular vein (IJV might determine its ultimate location. Methods In this study, 300 patients between the ages of 18 and 99 years who required central venous catheterization via IJV in the emergency department enrolled for randomization. IVJ catheterization was successful in 285 of 300 patients. An independent operator randomly prefixed the direction of the J-tip of the guidewire to one of three directions. Based on the direction of the J-tip, patients were allocated into three groups: the J-tip medial-directed group (Group A, the lateral-directed group (Group B, or the downward-directed group (Group C. Postoperative chest radiography was performed on all patients in order to visualize the location of the catheter tip. A catheter is considered malpositioned if it is not located in the superior vena cava or right atrium. Results Of the total malpositioned catheter tips (8 of 285; 2.8%, the majority (5 of 8; 62.5% entered the contralateral subclavian vein, 2 (25.0% were complicated by looping, and 1 (12.5% entered the ipsilateral subclavian vein. According to the direction of the J-tip of the guidewire, the incidence of malpositioning of the catheter tip was 4 of 92 in Group A (4.3%, 4 of 96 in Group B (4.2%, and there were no malpositions in Group C. There were no significant differences among the three groups (p = 0.114. Conclusions The direction of the J-tip of the guidewire had no statistically significant effect on incidence of malpositioned tips.

Radio-frequency ablation in patients with malignant hepatic tumor and experimental model: comparison of expandable needle and water-cooled needle

Energy Technology Data Exchange (ETDEWEB)

Moon, Yong Ju; Jeong, Yong Yeon; Kim, Jeong; Yim, Nam yeol; Kang, Heoung Keun [School of Medicine, Chonnam National Univ., Gwangju (Korea, Republic of); Kim, Eun Ha; Yoon, Kwon Ha [School of Medicine, Wonkwang Univ., Iksan (Korea, Republic of); Ko, Seog Wan [School of Medicine, Chonbuk National Univ., Jeonju (Korea, Republic of)

2004-12-01

The purpose of this study was to compare the shape and volume of the radio-frequency induced lesions produced by two commercially available radio-frequency ablation (RFA) systems, the expandable and cooled-tip needles, in clinical patients and an experimental model. A twelve-array anchor expandable needle electrode and a single cooled-tip needle electrode were used to treat hepatic tumors with a single session in 23 patients (20 hepatocellular carcinomas and 3 hepatic metastases) and fourteen patients (10 hepatocellular carcinomas and 4 hepatic metastases), respectively. Twenty RFA induced lesions were created with each system in 10 explanted bovine livers. The shape of the RFA induced lesions were divided into oval lesions along or perpendicular to the axis of the electrode and spherical lesions, and we then calculated the volumes of the RFA induced lesions. Fourteen (61%) lesions of the 23 patients treated with the expandable system were oval perpendicular to the axis of the electrode and nine (39%) of the lesions were spherical. All the lesions (100%) of the 14 patients treated with the cooled-tip needle were ovaI along the axis of the electrode. In the ex vivo bovine livers, the shape of the all RFA induced lesions was oval perpendicular to the axis of the electrode for the expandable needle, and oval along the axis of the electrode for the cooled-tip needle. The mean diameter and volume of the RFA induced lesions in the patients were 3.35{+-}0.56 cm and 19.9{+-}6.53 cm{sup 3}, respectively, for the expandable needle and 3.58{+-}0.78 cm and 23.19{+-}5.27 cm{sup 3}, respectively, for the cooled-tip needle. In the ex vivo model, the mean diameter and volume of RFA induced lesions were 3.41{+-}0.59 cm and 26.59{+-}8.02 cm{sup 3}, respectively, for the expandable needle, and 4.04{+-}0.65 cm and 33.82{+-}6.16 cm{sup 3}, respectively, for the cooled-tip needle (p <0.05). These results indicate that the shape of RFA induced lesions with the expandable needle were oval

Comparison of GEANT4 very low energy cross section models with experimental data in water

DEFF Research Database (Denmark)

Incerti, S; Ivanchenko, A; Karamitros, M

2010-01-01

The GEANT4 general-purpose Monte Carlo simulation toolkit is able to simulate physical interaction processes of electrons, hydrogen and helium atoms with charge states (H0, H+) and (He0, He+, He2+), respectively, in liquid water, the main component of biological systems, down to the electron volt...... of electromagnetic interactions within the GEANT4 toolkit framework (since GEANT4 version 9.3 beta). This work presents a quantitative comparison of these physics models with a collection of experimental data in water collected from the literature....

Transcaval TIPS in patients with failed revision of occluded previous TIPS

Energy Technology Data Exchange (ETDEWEB)

Seong, Chang Kyu; Kim, Yong Joo; Shin, Tae Beom; Park, Hyo Yong; Kim, Tae Hun; Kang, Duk Sik [Kyungpook National University School of Medicine, Daegu (Korea, Republic of)

2001-12-01

To determine the feasibility of transcaval transjugular intrahepatic portosystemic shunt (TIPS) in patients with occluded previous TIPS. Between February 1996 and December 2000 we performed five transcaval TIPS procedures in four patients with recurrent gastric cardiac variceal bleeding. All four had occluded TIPS, which was between the hepatic and portal vein. The interval between initial TIPS placement and revisional procedures with transcaval TIPS varied between three and 31 months; one patient underwent transcaval TIPS twice, with a 31-month interval. After revision of the occluded shunt failed, direct cavoportal puncture at the retrohepatic segment of the IVC was attempted. Transcaval TIPS placement was technically successful in all cases. In three, tractography revealed slight leakage of contrast materials into hepatic subcapsular or subdiaphragmatic pericaval space. There was no evidence of propagation of extravasated contrast materials through the retroperitoneal space or spillage into the peritoneal space. After the tract was dilated by a bare stent, no patient experienced trans-stent bleeding and no serious procedure-related complications occurred. After successful shunt creation, variceal bleeding ceased in all patients. Transcaval TIPS placement is an effective and safe alternative treatment in patients with occluded previous TIPS and no hepatic veins suitable for new TIPS.

Variable-temperature independently driven four-tip scanning tunneling microscope

International Nuclear Information System (INIS)

Hobara, Rei; Nagamura, Naoka; Hasegawa, Shuji; Matsuda, Iwao; Yamamoto, Yuko; Miyatake, Yutaka; Nagamura, Toshihiko

2007-01-01

The authors have developed an ultrahigh vacuum (UHV) variable-temperature four-tip scanning tunneling microscope (STM), operating from room temperature down to 7 K, combined with a scanning electron microscope (SEM). Four STM tips are mechanically and electrically independent and capable of positioning in arbitrary configurations in nanometer precision. An integrated controller system for both of the multitip STM and SEM with a single computer has also been developed, which enables the four tips to operate either for STM imaging independently and for four-point probe (4PP) conductivity measurements cooperatively. Atomic-resolution STM images of graphite were obtained simultaneously by the four tips. Conductivity measurements by 4PP method were also performed at various temperatures with the four tips in square arrangement with direct contact to the sample surface

Tipping Point

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Full Text Available ... en español Blog About OnSafety CPSC Stands for Safety The Tipping Point Home > 60 Seconds of Safety (Videos) > The Tipping Point The Tipping Point by ... danger death electrical fall furniture head injury product safety television tipover tv Watch the video in Adobe ...

Downstream Hepatic Arterial Blood Pressure Changes Caused by Deployment of the Surefire AntiReflux Expandable Tip

International Nuclear Information System (INIS)

Rose, Steven C.; Kikolski, Steven G.; Chomas, James E.

2013-01-01

Purpose: The purpose of this work was to evaluate blood pressure changes caused by deployment of the Surefire antireflux expandable tip. The pressure measurements are relevant because they imply changes in hepatoenteric arterial blood flow within this liver compartment during hepatic artery delivery of cytotoxic agents. Methods: After positioning the Surefire antireflux system in the targeted hepatic artery, blood pressure was obtained initially with the tip collapsed (or through a femoral artery sheath), then again after the tip was expanded before chemoembolization or yttrium 90 ( 90 Y) radioembolization. Results: Eighteen patients with liver malignancy underwent 29 procedures in 29 hepatic arteries (3 common hepatic, 22 lobar, 4 segmental). Systolic, diastolic, and mean blood pressure were all decreased by a mean of 29 mm Hg (p = 0.000004), 14 mm Hg (p = 0.0000004), and 22 mm Hg (p = 0.00000001), respectively. Conclusion: When the Surefire expandable tip is deployed to prevent retrograde reflux of agents, it also results in a significant decrease in blood pressure in the antegrade distribution, potentially resulting in hepatopedal blood flow in vessels that are difficult to embolize, such as the supraduodenal arteries

Tipping point of a conifer forest ecosystem under severe drought

Science.gov (United States)

Huang, Kaicheng; Yi, Chuixiang; Wu, Donghai; Zhou, Tao; Zhao, Xiang; Blanford, William J.; Wei, Suhua; Wu, Hao; Ling, Du; Li, Zheng

2015-02-01

Drought-induced tree mortality has recently received considerable attention. Questions have arisen over the necessary intensity and duration thresholds of droughts that are sufficient to trigger rapid forest declines. The values of such tipping points leading to forest declines due to drought are presently unknown. In this study, we have evaluated the potential relationship between the level of tree growth and concurrent drought conditions with data of the tree growth-related ring width index (RWI) of the two dominant conifer species (Pinus edulis and Pinus ponderosa) in the Southwestern United States (SWUS) and the meteorological drought-related standardized precipitation evapotranspiration index (SPEI). In this effort, we determined the binned averages of RWI and the 11 month SPEI within the month of July within each bin of 30 of RWI in the range of 0-3000. We found a significant correlation between the binned averages of RWI and SPEI at the regional-scale under dryer conditions. The tipping point of forest declines to drought is predicted by the regression model as SPEItp = -1.64 and RWItp = 0, that is, persistence of the water deficit (11 month) with intensity of -1.64 leading to negligible growth for the conifer species. When climate conditions are wetter, the correlation between the binned averages of RWI and SPEI is weaker which we believe is most likely due to soil water and atmospheric moisture levels no longer being the dominant factor limiting tree growth. We also illustrate a potential application of the derived tipping point (SPEItp = -1.64) through an examination of the 2002 extreme drought event in the SWUS conifer forest regions. Distinguished differences in remote-sensing based NDVI anomalies were found between the two regions partitioned by the derived tipping point.

Tipping point of a conifer forest ecosystem under severe drought

International Nuclear Information System (INIS)

Huang, Kaicheng; Zhou, Tao; Wu, Hao; Ling, Du; Li, Zheng; Yi, Chuixiang; Blanford, William J; Wei, Suhua; Wu, Donghai; Zhao, Xiang

2015-01-01

Drought-induced tree mortality has recently received considerable attention. Questions have arisen over the necessary intensity and duration thresholds of droughts that are sufficient to trigger rapid forest declines. The values of such tipping points leading to forest declines due to drought are presently unknown. In this study, we have evaluated the potential relationship between the level of tree growth and concurrent drought conditions with data of the tree growth-related ring width index (RWI) of the two dominant conifer species (Pinus edulis and Pinus ponderosa) in the Southwestern United States (SWUS) and the meteorological drought-related standardized precipitation evapotranspiration index (SPEI). In this effort, we determined the binned averages of RWI and the 11 month SPEI within the month of July within each bin of 30 of RWI in the range of 0–3000. We found a significant correlation between the binned averages of RWI and SPEI at the regional-scale under dryer conditions. The tipping point of forest declines to drought is predicted by the regression model as SPEI tp  = −1.64 and RWI tp  = 0, that is, persistence of the water deficit (11 month) with intensity of −1.64 leading to negligible growth for the conifer species. When climate conditions are wetter, the correlation between the binned averages of RWI and SPEI is weaker which we believe is most likely due to soil water and atmospheric moisture levels no longer being the dominant factor limiting tree growth. We also illustrate a potential application of the derived tipping point (SPEI tp  = −1.64) through an examination of the 2002 extreme drought event in the SWUS conifer forest regions. Distinguished differences in remote-sensing based NDVI anomalies were found between the two regions partitioned by the derived tipping point. (letter)

Leading bureaucracies to the tipping point: An alternative model of multiple stable equilibrium levels of corruption.

Science.gov (United States)

Caulkins, Jonathan P; Feichtinger, Gustav; Grass, Dieter; Hartl, Richard F; Kort, Peter M; Novak, Andreas J; Seidl, Andrea

2013-03-16

We present a novel model of corruption dynamics in the form of a nonlinear optimal dynamic control problem. It has a tipping point, but one whose origins and character are distinct from that in the classic Schelling (1978) model. The decision maker choosing a level of corruption is the chief or some other kind of authority figure who presides over a bureaucracy whose state of corruption is influenced by the authority figure's actions, and whose state in turn influences the pay-off for the authority figure. The policy interpretation is somewhat more optimistic than in other tipping models, and there are some surprising implications, notably that reforming the bureaucracy may be of limited value if the bureaucracy takes its cues from a corrupt leader.

Leading bureaucracies to the tipping point: An alternative model of multiple stable equilibrium levels of corruption

Science.gov (United States)

Caulkins, Jonathan P.; Feichtinger, Gustav; Grass, Dieter; Hartl, Richard F.; Kort, Peter M.; Novak, Andreas J.; Seidl, Andrea

2013-01-01

We present a novel model of corruption dynamics in the form of a nonlinear optimal dynamic control problem. It has a tipping point, but one whose origins and character are distinct from that in the classic Schelling (1978) model. The decision maker choosing a level of corruption is the chief or some other kind of authority figure who presides over a bureaucracy whose state of corruption is influenced by the authority figure’s actions, and whose state in turn influences the pay-off for the authority figure. The policy interpretation is somewhat more optimistic than in other tipping models, and there are some surprising implications, notably that reforming the bureaucracy may be of limited value if the bureaucracy takes its cues from a corrupt leader. PMID:23565027

Superconductivity, carrier concentration, and the ionic model of Sn/sub 4/P/sub 3/ and Sn/sub 4/As/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Van Maaren, M H

1969-06-01

Superconductivity is reported for Sn/sub 4/P/sub 2.65/ at T/sub c/ 1.2/sup 0/K. Hall constant and reflectivity measurements indicate a mixed type of conduction for Sn/sub 4/P/sub 2.65/ and Sn/sub 3.80/ As/sub 3/. The ionic model of Geller and Hull is not applicable.

Molecular dynamics simulations of ultrathin water film confined between flat diamond plates

Directory of Open Access Journals (Sweden)

A.V. Khomenko

2008-12-01

Full Text Available Molecular dynamics simulations of ultrathin water film confined between atomically flat rigid diamond plates are described. Films with thickness of one and two molecular diameters are concerned and TIP4P model is used for water molecules. Dynamical and equilibrium characteristics of the system for different values of the external load and shear force are investigated. An increase of the external load causes the transition of the film to a solidlike state. This is manifested in a decrease of the diffusion constant and in the ordering of the liquid molecules into quasidiscrete layers. For two-layer film under high loads, the molecules also become ordered parallel to the surfaces. Time dependencies of the friction force and the changes of its average value with the load are obtained. In general, the behaviour of the studied model is consistent with the experimental results obtained for simple liquids with spherical molecules.

Crack Tip Mechanics in Distortion Gradient Plasticity

DEFF Research Database (Denmark)

Fuentes-Alonso, Sandra; Martínez Pañeda, Emilio

2017-01-01

Gradient Plasticity (DGP), the influence on crack tip mechanics of DGP's distinguishing features that entail superior modelling capabilities has not been investigated yet. In this work crack tip fields are thoroughly examined by implementing the higher order theory of DGP in an implicit finite element...

Evidence on Tips for Supporting Reading Skills at Home

Science.gov (United States)

What Works Clearinghouse, 2018

2018-01-01

This document begins by providing four tips parents and care takers can use to supporting childrens' reading skills at home: (1) Have conversations before, during, and after reading together; (2) Help children learn how to break sentences into words and words into syllables; (3) Help children sound out words smoothly; and (4) Model reading…

Improved Interaction Potentials for Charged Residues in Proteins

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2008-01-01

Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self-consistent, exper......Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self......, TIP4P or TIP3P; i.e., each water model requires specific water-charged molecule interaction potentials. New models (models 1 and 3) are thus described for both water models. Uncertainties in relative free energies of charged residues are ~2 kcal/mol with the new parameters, due to variations in system...

Intermolecular interaction of photoexcited Cu(/TMpy-P4) with water studied by transient resonance Raman and picosecond absorption spectroscopies

NARCIS (Netherlands)

Kruglik, S.; Kruglik, Sergei G.; Ermolenkov, Vladimir V.; Shvedko, Alexander G.; Orlovich, Valentine A.; Galievsky, Victor A.; Chirvony, Vladimir S.; Otto, Cornelis; Turpin, Pierre-Yves

1997-01-01

photoinduced complex between Cu(TMpy-P4) and water molecules, reversibly axially coordinated to the central metal, was observed in picosecond transient absorption and nanosecond resonance Raman experiments. This complex is rapidly created (τ1 = 15 ± 5 ps) in the excited triplet (π, π*) state of

Electron field emission characteristics of carbon nanotube on tungsten tip

International Nuclear Information System (INIS)

Phan Ngoc Hong; Bui Hung Thang; Nguyen Tuan Hong; Phan Ngoc Minh; Lee, Soonil

2009-01-01

Electron field emission characteristic of carbon nanotubes on tungsten tip was investigated in 2x10 -6 Torr vacuum. The measurement results showed that the CNTs/W tip could emit electron at 0.7 V/μm (nearly 10 times lower than that of the W tip itself) and reach up to 26 μA at the electric field of 1 V/μm. The emission characteristic follows the Fowler-Nordheim mechanism. Analysis of the emission characteristic showed that the CNTs/W tip has a very high value of field enhancement factor (β = 4.1 x 10 4 cm -1 ) that is much higher than that of the tungsten tip itself. The results confirmed the excellent field emission behavior of the CNTs materials and the CNTs/W tip is a prospective candidate for advanced electron field emitter.

Water nanoelectrolysis: A simple model

Science.gov (United States)

Olives, Juan; Hammadi, Zoubida; Morin, Roger; Lapena, Laurent

2017-12-01

A simple model of water nanoelectrolysis—defined as the nanolocalization at a single point of any electrolysis phenomenon—is presented. It is based on the electron tunneling assisted by the electric field through the thin film of water molecules (˜0.3 nm thick) at the surface of a tip-shaped nanoelectrode (micrometric to nanometric curvature radius at the apex). By applying, e.g., an electric potential V1 during a finite time t1, and then the potential -V1 during the same time t1, we show that there are three distinct regions in the plane (t1, V1): one for the nanolocalization (at the apex of the nanoelectrode) of the electrolysis oxidation reaction, the second one for the nanolocalization of the reduction reaction, and the third one for the nanolocalization of the production of bubbles. These parameters t1 and V1 completely control the time at which the electrolysis reaction (of oxidation or reduction) begins, the duration of this reaction, the electrolysis current intensity (i.e., the tunneling current), the number of produced O2 or H2 molecules, and the radius of the nanolocalized bubbles. The model is in good agreement with our experiments.

Does Digital Ad Exposure Influence Information-Seeking Behavior Online? Evidence From the 2012 Tips From Former Smokers National Tobacco Prevention Campaign.

Science.gov (United States)

Kim, Annice; Hansen, Heather; Duke, Jennifer; Davis, Kevin; Alexander, Robert; Rowland, Amy; Mitchko, Jane

2016-03-16

Measuring the impact of online health campaigns is challenging. Ad click-through rates are traditionally used to measure campaign reach, but few Internet users ever click on ads. Alternatively, self-reported exposure to digital ads would be prone to recall bias. Furthermore, there may be latency effects whereby people do not click on ads when exposed but visit the promoted website or conduct campaign-related searches later. Online panels that unobtrusively collect panelists' Web behavior data and link ad exposure to website visits and searches can more reliably assess the impact of digital ad exposure. From March to June 2012, the Centers for Disease Control and Prevention aired the national Tips From Former Smokers (Tips 2012) media campaign designed to encourage current smokers to quit. Advertisements ran across media channels, and the digital ads directed users to the Tips 2012 campaign website. Our aim was to examine whether exposure to Tips 2012 digital ads influenced information-seeking behaviors online. ComScore mined its panelists' Web behavior data for unique codes that would indicate exposure to Tips 2012 ads, regardless of whether panelists clicked the ad or not. A total of 15,319 US adults were identified as having been exposed to a Tips 2012 campaign ad. An equal number of unexposed adults (N=15,319) were identified and matched on demographics and Internet use behavior to the exposed group. Panelists' Web behavior data were mined for up to 4 weeks after initial Tips 2012 ad exposure to determine whether they visited the Tips 2012 campaign website or other cessation-related websites (eg, nicotine replacement therapy site) or conducted searches for campaign-related topics (eg, quit smoking). The proportion of exposed adults visiting the Tips 2012 sites increased from 0.4% in Week 1 to 0.9% 4 weeks after ad exposure, and these rates were significantly higher than in the unexposed group (0.1% in Week 1 to 0.4% in Week 4, P<.001) across all weeks examined

Superconducting phase transition in STM tips

Energy Technology Data Exchange (ETDEWEB)

Eltschka, Matthias; Jaeck, Berthold; Assig, Maximilian; Etzkorn, Markus; Ast, Christian R. [Max Planck Institute for Solid State Research, Stuttgart (Germany); Kern, Klaus [Max Planck Institute for Solid State Research, Stuttgart (Germany); Ecole Polytechnique Federale de Lausanne (Switzerland)

2015-07-01

The superconducting properties of systems with dimensions comparable to the London penetration depth considerably differ from macroscopic systems. We have studied the superconducting phase transition of vanadium STM tips in external magnetic fields. Employing Maki's theory we extract the superconducting parameters such as the gap or the Zeeman splitting from differential conductance spectra. While the Zeeman splitting follows the theoretical description of a system with s=1/2 and g=2, the superconducting gaps as well as the critical fields depend on the specific tip. For a better understanding of the experimental results, we solve a one dimensional Usadel equation modeling the superconducting tip as a cone with the opening angle α in an external magnetic field. We find that only a small region at the apex of the tip is superconducting in high magnetic fields and that the order of the phase transition is directly determined by α. Further, the spectral broadening increases with α indicating an intrinsic broadening mechanism due to the conical shape of the tip. Comparing these calculations to our experimental results reveals the order of the superconducting phase transition of the STM tips.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

Science.gov (United States)

Willatt, Michael J.; Ceriotti, Michele; Althorpe, Stuart C.

2018-03-01

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Modelling the removal of p-TSA (para-toluenesulfonamide) during rapid sand filtration used for drinking water treatment.

Science.gov (United States)

Meffe, Raffaella; Kohfahl, Claus; Holzbecher, Ekkehard; Massmann, Gudrun; Richter, Doreen; Dünnbier, Uwe; Pekdeger, Asaf

2010-01-01

A finite element model was set-up to determine degradation rate constants for p-TSA during rapid sand filtration (RSF). Data used for the model originated from a column experiment carried out in the filter hall of a drinking water treatment plant in Berlin (Germany). Aerated abstracted groundwater was passed through a 1.6m long column-shaped experimental sand filter applying infiltration rates from 2 to 6mh(-1). Model results were fitted to measured profiles and breakthrough curves of p-TSA for different infiltration rates using both first-order reaction kinetics and Michaelis-Menten kinetics. Both approaches showed that degradation rates varied both in space and time. Higher degradation rates were observed in the upper part of the column, probably related to higher microbial activity in this zone. Measured and simulated breakthrough curves revealed an adaption phase with lower degradation rates after infiltration rates were changed, followed by an adapted phase with more elevated degradation rates. Irrespective of the mathematical approach and the infiltration rate, degradation rates were very high, probably owing to the fact that filter sands have been in operation for decades, receiving high p-TSA concentrations with the raw water.

APTR is a prognostic marker in cirrhotic patients with portal hypertension during TIPS procedure.

Science.gov (United States)

Yu, Shanshan; Qi, Yanhua; Jiang, Jue; Wang, Hua; Zhou, Qi

2018-03-01

Portal hypertension is a major cause of mortality and morbidity in cirrhotic patients. In this study, we aimed to analyze the clinical characteristics of Alu-mediated p21 transcriptional regulator (APTR) during transjugular intrahepatic portosystemic shunt (TIPS) procedure. Portal and hepatic venous blood was drawn from 84 patients with liver cirrhosis and portal hypertension before and after TIPS treatment. Then, we detected biochemical, hemodynamic parameters and APTR expression before and after TIPS treatment. Indeed, TIPS treatment could markedly ameliorate the serum blood urea nitrogen (BUN) level and portal vein hemodynamics in cirrhotic patients. We found that portal venous levels of APTR was significantly decreased after TIPS treatment and its aberrant expression levels were positively correlated with Model for End Stage Liver Disease (MELD), portal hepatic venous pressure gradient (PHPG) in patients. Higher APTR expression in portal vein was associated with poor prognosis. APTR level in portal vein was an independent predictors of mortality. Our data indicated that APTR may serve as a novel biomarker for cirrhotic patients with portal hypertension before and after receiving TIPS. Copyright © 2017 Elsevier B.V. All rights reserved.

Towards easy and reliable AFM tip shape determination using blind tip reconstruction

International Nuclear Information System (INIS)

Flater, Erin E.; Zacharakis-Jutz, George E.; Dumba, Braulio G.; White, Isaac A.; Clifford, Charles A.

2014-01-01

Quantitative determination of the geometry of an atomic force microscope (AFM) probe tip is critical for robust measurements of the nanoscale properties of surfaces, including accurate measurement of sample features and quantification of tribological characteristics. Blind tip reconstruction, which determines tip shape from an AFM image scan without knowledge of tip or sample shape, was established most notably by Villarrubia [J. Res. Natl. Inst. Stand. Tech. 102 (1997)] and has been further developed since that time. Nevertheless, the implementation of blind tip reconstruction for the general user to produce reliable and consistent estimates of tip shape has been hindered due to ambiguity about how to choose the key input parameters, such as tip matrix size and threshold value, which strongly impact the results of the tip reconstruction. These key parameters are investigated here via Villarrubia's blind tip reconstruction algorithms in which we have added the capability for users to systematically vary the key tip reconstruction parameters, evaluate the set of possible tip reconstructions, and determine the optimal tip reconstruction for a given sample. We demonstrate the capabilities of these algorithms through analysis of a set of simulated AFM images and provide practical guidelines for users of the blind tip reconstruction method. We present a reliable method to choose the threshold parameter corresponding to an optimal reconstructed tip shape for a given image. Specifically, we show that the trend in how the reconstructed tip shape varies with threshold number is so regular that the optimal, or Goldilocks, threshold value corresponds with the peak in the derivative of the RMS difference with respect to the zero threshold curve vs. threshold number. - Highlights: • Blind tip reconstruction algorithms have been implemented and augmented to determine the optimal input parameters. • We demonstrate the capabilities of the algorithms using a simulated AFM

Modeling phytoremediation of nitrogen-polluted water using water hyacinth (Eichhornia crassipes)

Science.gov (United States)

Mayo, Aloyce W.; Hanai, Emmanuel E.

2017-08-01

Water hyacinth (Eichhornia crassipes) has a great potential for purification of wastewater through physical, chemical and biological mechanisms. In an attempt to improve the quality of effluents discharged from waste stabilization ponds at the University of Dar es Salaam, a pilot plant was constructed to experiment the effectiveness of this plants for transformation and removal of nitrogen. Samples of wastewater were collected and examined for water quality parameters, including pH, temperature, dissolved oxygen, and various forms of nitrogen, which were used as input parameters in a kinetic mathematical model. A conceptual model was then developed to model various processes in the system using STELLA 6.0.1 software. The results show that total nitrogen was removed by 63.9%. Denitrification contributed 73.8% of the removed nitrogen. Other dominant nitrogen removal mechanisms are net sedimentation and uptake by water hyacinth, which contributed 16.7% and 9.5% of the removed nitrogen, respectively. The model indicated that in presence of water hyacinth biofilm about 1.26 g Nm-2day-1 of nitrogen was removed. However, in the absence of biofilm in water hyacinth pond, the permanent nitrogen removal was only 0.89 g Nm-2day-1. This suggests that in absence of water hyacinth, the efficiency of nitrogen removal would decrease by 29.4%.

Contact assembly of cell-laden hollow microtubes through automated micromanipulator tip locating

International Nuclear Information System (INIS)

Wang, Huaping; Shi, Qing; Guo, Yanan; Li, Yanan; Sun, Tao; Huang, Qiang; Fukuda, Toshio

2017-01-01

This paper presents an automated contact assembly method to fabricate a cell-laden microtube based on accurate locating of the micromanipulator tip. Essential for delivering nutrients in thick engineered tissues, a vessel-mimetic microtube can be precisely assembled through microrobotic contact biomanipulation. The biomanipulation is a technique to spatially order and immobilize cellular targets with high precision. However, due to image occlusion during contact, it is challenging to locate the micromanipulator tip for fully automated assembly. To achieve pixel-wise tracking and locating of the tip in contact, a particle filter algorithm integrated with a determined level set model is employed here. The model ensures precise convergence of the micromanipulator’s contour during occlusion. With the converged active contour, the algorithm is able to pixel-wisely separate the micromanipulator from the low-contrast background and precisely locate the tip with error around 1 pixel (2 µ m at 4  ×  magnification). As a result, the cell-laden microtube is automatically assembled at six layers/min, which is effective enough to fabricate vessel-mimetic constructs for vascularization in tissue engineering. (paper)

Cutting efficiency of apical preparation using ultrasonic tips with microprojections: confocal laser scanning microscopy study

Directory of Open Access Journals (Sweden)

Sang-Won Kwak

2014-11-01

Full Text Available Objectives The purpose of this study was to compare the cutting efficiency of a newly developed microprojection tip and a diamond-coated tip under two different engine powers. Materials and Methods The apical 3-mm of each root was resected, and root-end preparation was performed with upward and downward pressure using one of the ultrasonic tips, KIS-1D (Obtura Spartan or JT-5B (B&L Biotech Ltd.. The ultrasonic engine was set to power-1 or -4. Forty teeth were randomly divided into four groups: K1 (KIS-1D / Power-1, J1 (JT-5B / Power-1, K4 (KIS-1D / Power-4, and J4 (JT-5B / Power-4. The total time required for root-end preparation was recorded. All teeth were resected and the apical parts were evaluated for the number and length of cracks using a confocal scanning micrscope. The size of the root-end cavity and the width of the remaining dentin were recorded. The data were statistically analyzed using two-way analysis of variance and a Mann-Whitney test. Results There was no significant difference in the time required between the instrument groups, but the power-4 groups showed reduced preparation time for both instrument groups (p < 0.05. The K4 and J4 groups with a power-4 showed a significantly higher crack formation and a longer crack irrespective of the instruments. There was no significant difference in the remaining dentin thickness or any of the parameters after preparation. Conclusions Ultrasonic tips with microprojections would be an option to substitute for the conventional ultrasonic tips with a diamond coating with the same clinical efficiency.

Thulium fiber laser lithotripsy using a muzzle brake fiber tip

Science.gov (United States)

Hutchens, Thomas C.; Gonzalez, David A.; Irby, Pierce B.; Fried, Nathaniel M.

2017-02-01

The Thulium fiber laser (TFL) is being explored as an alternative to Holmium:YAG laser for lithotripsy. TFL beam profile allows coupling of higher power into smaller fibers than multimode Holmium laser beam, without proximal fiber tip degradation. A smaller fiber provides more space in ureteroscope working channel for increased saline irrigation and allows maximum ureteroscope flexion. However, distal fiber tip burnback increases as fiber diameter decreases. Previous studies utilizing hollow steel sheaths around recessed distal fiber tips reduced fiber burnback, but increased retropulsion. In this study, a "fiber muzzle brake" was tested for reducing fiber burnback and stone retropulsion. TFL lithotripsy studies were performed at 1908 nm, 35 mJ, 500 μs, and 300 Hz using a 100-μm-core fiber. The optimal stainless steel muzzle brake tip tested consisted of a 1-cm-long, 560-μm-OD, 360-μm-ID tube with 275-μm thru hole located 250-μm from the distal end. The fiber tip was recessed a distance of 500 μm. Stone phantom retropulsion, fiber tip burnback, and calcium oxalate stone ablation studies were performed, ex vivo. Small stones with a mass of 40 +/- 4 mg and 4-mm-diameter were ablated over a 1.5-mm sieve in 25 +/- 4 s (n=10), without distal fiber tip burnback. Reduction in stone phantom retropulsion distance by 50% and 85% was observed when using muzzle brake tips versus 100-μm-core bare fibers and hollow steel tip fibers. The muzzle brake fiber tip provided efficient stone ablation, reduced stone retropulsion, and minimal fiber degradation during TFL lithotripsy.

Avaliação da intensidade de contaminação de pontas de seringa tríplice Evaluation of the bacterial contamination of air/water syringes tips

Directory of Open Access Journals (Sweden)

Eliza Maria Agueda RUSSO

2000-09-01

Full Text Available O controle de infecção cruzada em consultórios odontológicos inclui cuidados especiais com as seringas tríplices. Os autores pesquisaram a intensidade de contaminação pela microbiota bucal, de pontas de seringas tríplices usadas no atendimento a pacientes de Dentística Restauradora. Cinqüenta pontas descartáveis (Riskcontrol, Injecta Prod. Odontológicos foram avaliadas: 10, imediatamente após a abertura da embalagem; 30, após o uso em pacientes; e 10, após o uso e a desinfecção com álcool etílico 70% P/V, friccionado por um minuto. Em câmara de fluxo laminar, as pontas foram "roladas" sobre a superfície de Tryptic Soy Agar, suplementado com 5% de sangue desfibrinado de carneiro. Após 96 horas de incubação anaeróbia, foi feita a avaliação da quantidade de unidades formadoras de colônias (ufc desenvolvidas. Confirmando a informação do fabricante, as pontas estavam estéreis quando retiradas da embalagem. Em todas as pontas usadas em pacientes, observou-se um número incontável de ufc (maior que 300, revelando intensa contaminação. Nas pontas usadas e desinfetadas com álcool etílico 70% P/V, verificou-se apreciável redução na contagem de colônias (1 a 100 ufc, mas incompatível com a segurança biológica. Os resultados sugerem, como condição ideal, o uso de pontas descartáveis nas seringas tríplices.Effective infection control procedures to prevent cross-contamination in the dental office include care with air/water syringes. The authors had the purpose to verify the bacterial contamination of air/water syringes used in patients seen at the Restorative Dental Clinic, School of Dentistry, University of São Paulo, Brazil. Fifty disposable tips (Riskcontrol, Injecta Prod. Odontológicos were analysed: 10, immediately after the package was opened; 10, after a single use followed by disinfection with 70% alcohol for one minute; 30, after a single use without any posterior disinfection. The samples were

Determination of dextromethorphan in human plasma using pipette tip solid-phase extraction and gas chromatography-mass spectrometry.

Science.gov (United States)

Hasegawa, Chika; Kumazawa, Takeshi; Uchigasaki, Seisaku; Lee, Xiao-Pen; Sato, Keizo; Terada, Masaru; Kurosaki, Kunihiko

2011-10-01

Dextromethorphan was extracted from human plasma samples (100 μL) using MonoTip C(18) tips, which are packed with C(18)-bonded monolithic silica gel that is attached to the inside of the tip. The samples, which contained dextromethorphan and trimeprazine as an internal standard (IS), were mixed with 200 μL of distilled water and 50 μL of 1 mol/L glycine-sodium hydroxide buffer (pH 10). The mixture was extracted to the C(18) phase of the tip by 20 sequential aspirating/dispensing cycles using a manual micropipettor. The analytes retained on the C(18) phase were then eluted with methanol by five sequential aspirating/dispensing cycles. The eluate was injected directly into a gas chromatograph and detected by a mass spectrometer with selected ion monitoring in positive electron ionization mode. An Equity-5 fused silica capillary column (30 m × 0.32 mm i.d., film thickness 0.5 μm) gave adequate separation of the dextromethorphan, IS, and impurities. The recoveries of dextromethorphan and the IS spiked into plasma were >87.4%. The regression equation for dextromethorphan showed excellent linearity from 2.5 to 320 ng/mL of plasma, and the limit of detection was 1.25 ng/mL of plasma. The intraday and interday coefficients of variation were less than 10.5% and 14.7%, respectively. The accuracy ranged from 91.9% to 107%. The validated method was successfully used to quantify the plasma concentration of dextromethorphan in a human subject after oral administration of the drug. © Springer-Verlag 2011

Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions

Energy Technology Data Exchange (ETDEWEB)

Krishnan, Vengadesan [UNESCO Regional Centre for Biotechnology (RCB), Gurgaon 122 016, Haryana (India); Dwivedi, Prabhat [University of Texas Health Science Center, Houston, TX 77030 (United States); Kim, Brandon J. [San Diego State University, 5500 Campanile Drive, San Diego, CA 92182 (United States); Samal, Alexandra; Macon, Kevin [University of Alabama at Birmingham, Birmingham, AL 35294 (United States); Ma, Xin; Mishra, Arunima [University of Texas Health Science Center, Houston, TX 77030 (United States); Doran, Kelly S. [San Diego State University, 5500 Campanile Drive, San Diego, CA 92182 (United States); Ton-That, Hung [University of Texas Health Science Center, Houston, TX 77030 (United States); Narayana, Sthanam V. L., E-mail: narayana@uab.edu [University of Alabama at Birmingham, Birmingham, AL 35294 (United States); UNESCO Regional Centre for Biotechnology (RCB), Gurgaon 122 016, Haryana (India)

2013-06-01

The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. In addition, a homology model of the remaining two domains of GBS104 was built and a model of full-length GBS104 was generated by combining the homology model (the N1 and N4 domains) and the crystal structure of the 75 kDa fragment (the N2 and N3 domains). This rod-shaped GBS104 model is constructed of three IgG-like domains (the N1, N2 and N4 domains) and one vWFA-like domain (the N3 domain). The N1 and N2 domains of GBS104 are assembled with distinct and remote segments contributed by the N- and C-termini. The metal-binding site in the N3 domain of GBS104 is in the closed/low-affinity conformation. Interestingly, this domain hosts two long arms that project away from the metal-binding site. Using site-directed mutagenesis, two cysteine residues that lock the N3 domain of GBS104 into the open/high-affinity conformation were introduced. Both wild-type and disulfide-locked recombinant proteins were tested for binding to extracellular matrix proteins such as collagen, fibronectin, fibrinogen and laminin, and an increase in fibronectin binding affinity was identified for the disulfide-locked N3 domain, suggesting that induced conformational changes may play a possible role in receptor binding.

Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions

International Nuclear Information System (INIS)

Krishnan, Vengadesan; Dwivedi, Prabhat; Kim, Brandon J.; Samal, Alexandra; Macon, Kevin; Ma, Xin; Mishra, Arunima; Doran, Kelly S.; Ton-That, Hung; Narayana, Sthanam V. L.

2013-01-01

The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. In addition, a homology model of the remaining two domains of GBS104 was built and a model of full-length GBS104 was generated by combining the homology model (the N1 and N4 domains) and the crystal structure of the 75 kDa fragment (the N2 and N3 domains). This rod-shaped GBS104 model is constructed of three IgG-like domains (the N1, N2 and N4 domains) and one vWFA-like domain (the N3 domain). The N1 and N2 domains of GBS104 are assembled with distinct and remote segments contributed by the N- and C-termini. The metal-binding site in the N3 domain of GBS104 is in the closed/low-affinity conformation. Interestingly, this domain hosts two long arms that project away from the metal-binding site. Using site-directed mutagenesis, two cysteine residues that lock the N3 domain of GBS104 into the open/high-affinity conformation were introduced. Both wild-type and disulfide-locked recombinant proteins were tested for binding to extracellular matrix proteins such as collagen, fibronectin, fibrinogen and laminin, and an increase in fibronectin binding affinity was identified for the disulfide-locked N3 domain, suggesting that induced conformational changes may play a possible role in receptor binding

Characterization of SCC crack tip and hydrogen distribution in alloy 600

Energy Technology Data Exchange (ETDEWEB)

Fujii, Katsuhiko; Nakajima, Nobuo; Fukuya, Koji [Institute of Nuclear Safety System Inc., Mihama, Fukui (Japan); Hatano, Yuji [Toyama Univ. (Japan)

2001-09-01

In order to identify the mechanism of primary water stress corrosion cracking (SCC), direct observations of SCC crack tip microstructure and hydrogen distribution in alloy 600 were carried out. A new technique has been developed to prepare electron transparent foils including the crack tip using focused-ion beam (FIB) micro-processing technique. Cr-rich oxide and metal-Ni phase were identified in the crack tip and grain boundary ahead of the crack. >From the fact that similar microstructure was observed in the surface oxide layer, it is suggested that the oxidation mechanism is identical at the crack tip region and the surface. It became clear that the crack tip region and the oxidized grain boundary don't work as strong trapping sites of solute hydrogen under unloaded condition, because a homogeneous hydrogen distribution around the crack tip region was detected by tritium microautoradiography. (author)

Jagged gives endothelial tip cells an edge.

Science.gov (United States)

Suchting, Steven; Eichmann, Anne

2009-06-12

Sprouting blood vessels have tip cells that lead and stalk cells that follow. Benedito et al. (2009) now show that competition between endothelial cells for the tip position is regulated by glycosylation of Notch receptors and by the opposing actions of the Notch ligands Jagged1 and Delta-like 4.

Numerical investigation of tip clearance cavitation in Kaplan runners

Science.gov (United States)

Nikiforova, K.; Semenov, G.; Kuznetsov, I.; Spiridonov, E.

2016-11-01

There is a gap between the Kaplan runner blade and the shroud that makes for a special kind of cavitation: cavitation in the tip leakage flow. Two types of cavitation caused by the presence of clearance gap are known: tip vortex cavitation that appears at the core of the rolled up vortex on the blade suction side and tip clearance cavitation that appears precisely in the gap between the blade tip edge and the shroud. In the context of this work numerical investigation of the model Kaplan runner has been performed taking into account variable tip clearance for several cavitation regimes. The focus is put on investigation of structure and origination of mechanism of cavitation in the tip leakage flow. Calculations have been performed with the help of 3-D unsteady numerical model for two-phase medium. Modeling of turbulent flow in this work has been carried out using full equations of Navier-Stokes averaged by Reynolds with correction for streamline curvature and system rotation. For description of this medium (liquid-vapor) simplification of Euler approach is used; it is based on the model of interpenetrating continuums, within the bounds of this two- phase medium considered as a quasi-homogeneous mixture with the common velocity field and continuous distribution of density for both phases. As a result, engineering techniques for calculation of cavitation conditioned by existence of tip clearance in model turbine runner have been developed. The detailed visualization of the flow was carried out and vortex structure on the suction side of the blade was reproduced. The range of frequency with maximum value of pulsation was assigned and maximum energy frequency was defined; it is based on spectral analysis of the obtained data. Comparison between numerical computation results and experimental data has been also performed. The location of cavitation zone has a good agreement with experiment for all analyzed regimes.

Macrophyte and pH buffering updates to the Klamath River water-quality model upstream of Keno Dam, Oregon

Science.gov (United States)

Sullivan, Annett B.; Rounds, Stewart A.; Asbill-Case, Jessica R.; Deas, Michael L.

2013-01-01

A hydrodynamic, water temperature, and water-quality model of the Link River to Keno Dam reach of the upper Klamath River was updated to account for macrophytes and enhanced pH buffering from dissolved organic matter, ammonia, and orthophosphorus. Macrophytes had been observed in this reach by field personnel, so macrophyte field data were collected in summer and fall (June-October) 2011 to provide a dataset to guide the inclusion of macrophytes in the model. Three types of macrophytes were most common: pondweed (Potamogeton species), coontail (Ceratophyllum demersum), and common waterweed (Elodea canadensis). Pondweed was found throughout the Link River to Keno Dam reach in early summer with densities declining by mid-summer and fall. Coontail and common waterweed were more common in the lower reach near Keno Dam and were at highest density in summer. All species were most dense in shallow water (less than 2 meters deep) near shore. The highest estimated dry weight biomass for any sample during the study was 202 grams per square meter for coontail in August. Guided by field results, three macrophyte groups were incorporated into the CE-QUAL-W2 model for calendar years 2006-09. The CE-QUAL-W2 model code was adjusted to allow the user to initialize macrophyte populations spatially across the model grid. The default CE-QUAL-W2 model includes pH buffering by carbonates, but does not include pH buffering by organic matter, ammonia, or orthophosphorus. These three constituents, especially dissolved organic matter, are present in the upper Klamath River at concentrations that provide substantial pH buffering capacity. In this study, CE-QUAL-W2 was updated to include this enhanced buffering capacity in the simulation of pH. Acid dissociation constants for ammonium and phosphoric acid were taken from the literature. For dissolved organic matter, the number of organic acid groups and each group's acid dissociation constant (Ka) and site density (moles of sites per mole of

Validation of the WATEQ4 geochemical model for uranium

International Nuclear Information System (INIS)

Krupka, K.M.; Jenne, E.A.; Deutsch, W.J.

1983-09-01

As part of the Geochemical Modeling and Nuclide/Rock/Groundwater Interactions Studies Program, a study was conducted to partially validate the WATEQ4 aqueous speciation-solubility geochemical model for uranium. The solubility controls determined with the WATEQ4 geochemical model were in excellent agreement with those laboratory studies in which the solids schoepite [UO 2 (OH) 2 . H 2 O], UO 2 (OH) 2 , and rutherfordine ((UO 2 CO 3 ) were identified as actual solubility controls for uranium. The results of modeling solution analyses from laboratory studies of uranyl phosphate solids, however, identified possible errors in the characterization of solids in the original solubility experiments. As part of this study, significant deficiencies in the WATEQ4 thermodynamic data base for uranium solutes and solids were corrected. Revisions included recalculation of selected uranium reactions. Additionally, thermodynamic data for the hydroxyl complexes of U(VI), including anionic (VI) species, were evaluated (to the extent permitted by the available data). Vanadium reactions were also added to the thermodynamic data base because uranium-vanadium solids can exist in natural ground-water systems. This study is only a partial validation of the WATEQ4 geochemical model because the available laboratory solubility studies do not cover the range of solid phases, alkaline pH values, and concentrations of inorganic complexing ligands needed to evaluate the potential solubility of uranium in ground waters associated with various proposed nuclear waste repositories. Further validation of this or other geochemical models for uranium will require careful determinations of uraninite solubility over the pH range of 7 to 10 under highly reducing conditions and of uranyl hydroxide and phosphate solubilities over the pH range of 7 to 10 under oxygenated conditions

Survival benefit of TIPS versus serial paracentesis in patients with refractory ascites: a single institution case-control propensity score analysis

International Nuclear Information System (INIS)

Gaba, R.C.; Parvinian, A.; Casadaban, L.C.; Couture, P.M.; Zivin, S.P.; Lakhoo, J.; Minocha, J.; Ray, C.E.; Knuttinen, M.G.; Bui, J.T.

2015-01-01

Aim: To compare the impact of covered stent-graft transjugular intrahepatic portosystemic shunt (TIPS) versus serial paracentesis on survival of patients with medically refractory ascites. Materials and methods: In this retrospective study, cirrhotic patients who underwent covered stent-graft TIPS for refractory ascites from 2003–2013 were compared with similar patients who underwent serial paracentesis during 2009–2013. Demographic and liver disease data, Model for End-Stage Liver Disease (MELD) scores, and survival outcomes were obtained from hospital electronic medical records and the social security death index. After propensity score weighting to match study group characteristics, survival outcomes were compared using Kaplan–Meier statistics with log-rank analysis. Results: Seventy TIPS (70% men, mean age 55.7 years, mean MELD 15.1) and 80 paracentesis (58% men, mean age 53.5 years, mean MELD 22.5) patients were compared. The TIPS haemodynamic success rate was 100% (mean portosystemic pressure gradient reduction 13 mmHg). Paracentesis patients underwent a mean of 7.9 procedures. After propensity score weighting to balance group features, TIPS patients showed a trend toward enhanced survival compared with paracentesis patients (median survival 1037 versus 262 days, p = 0.074). TIPS conferred a significant increase or trend toward improved survival compared with paracentesis at 1 (66% versus 44%, p = 0.018), 2 (56% versus 38%, p = 0.057), and 3 year (49% versus 32%, p = 0.077) time points. Thirty and 90 day mortality rates were not statistically increased by TIPS. Conclusion: Covered stent-graft TIPS improves intermediate- to long-term survival without significantly increasing short-term mortality of ascites patients, and suggests a greater potential role for TIPS in properly selected ascitic patients when medical management fails. - Highlights: • The survival benefit of TIPS for patients with refractory ascites remains unproven. • A case

Experimental Study of Unshrouded Impeller Pump Stage Sensitivity to Tip Clearance

Science.gov (United States)

Williams, Robert W.; Zoladz, Thomas; Storey, Anne K.; Skelley, Stephen E.

2002-01-01

This viewgraph presentation provides information on an experiment. Its objective is to experimentally determine unshrouded impeller performance sensitivity to tip clearance. The experiment included: Determining impeller efficiency at scaled operating conditions in water at MSFC's Pump Test Equipment (PTE) Facility; Testing unshrouded impeller at three different tip clearances; Testing each tip clearance configuration at on- and off-design conditions, and collecting unsteady- and steady-state data in each configuration; Determining impeller efficiency directly using drive line torquemeter and pump inlet and exit total pressure measurements.

Development of backward equations T(p,h), T(p,s) and p(h,s) for heavy water liquid and vapor

International Nuclear Information System (INIS)

Nick P Petropoulos; Simos E Simopoulos

2005-01-01

Full text of publication follows: Backward equations for heavy water (a) temperature as a function of pressure and enthalpy T(p,h), (b) temperature as a function of pressure and entropy T(p,s) and (c) pressure as a function of enthalpy and entropy p(h,s) presented in this work, are based on the 'IAPS Formulation 1984 for the Thermodynamic Properties of Heavy Water Substance' [1], and also on the respective equations for the ordinary water substance as presented in 'The IAPWS Industrial Formulation 1997 for the Thermodynamic Properties of Water and Steam' [2]. Heavy water and steam thermodynamic properties can be calculated using the basic equations and saturation equations that are included in [1]. However, [1] does not contain any backward functions T(p,h), T(p,s) and p(h,s), which are needed for heavy water thermodynamic process modeling. The development of the two temperature backward functions efficiently increases computational speed for temperature calculations more than three times as pointed out in the similar case problem for ordinary water, addressed successfully in [2]. Without these temperature backward functions calculations may be performed only iteratively using the heavy water state equations at a much greater computing cost. Moreover, the development of the pressure backward function saves even more computing time in modeling problems since two-dimensional iterations from the h(p,T) and s(p,T) heavy water functions may by effectively avoided. In addition, given the pressure function p(h,s), the heavy water temperature T(h,s) can be calculated by the temperature function T(p,h). The numerical consistencies of calculated T and p to the state equations included in [1] are sufficient for most applications in the heavy water nuclear reactors heat cycles. For applications, where the demands on numerical consistency and accuracy are rather high, iterations with the approved state equations may be necessary. In these cases both temperature and pressure

Modelling of crack chemistry in sensitized stainless steel in boiling water reactor environments

International Nuclear Information System (INIS)

Turnbull, A.

1997-01-01

An advanced model has been used to predict the chemistry and potential in a stress corrosion crack in sensitized stainless steel in a boiling water reactor (BWR) environment. The model assumes trapezoidal crack geometry, incorporates anodic reaction and cathodic reduction within the crack, and takes into account the limited solubility of cations in high temperature water. The results indicate that the crack tip potential is not independent of the external potential, and that the reactions on the walls of the crack must be included for reliable prediction. Accordingly, both the modelling assumptions of Ford and Andresen and of Macdonald and Urquidi-Macdonald, whilst having merit, are not fully satisfactory. Extended application of the model for improved prediction of stress corrosion crack growth rate is constrained by limitations in electrochemical data which are currently inadequate. (author)

Anesthetic efficacy of the supplemental X-tip intraosseous injection using 4% articaine with 1:100,000 adrenaline in patients with irreversible pulpitis: An in vivo study.

Science.gov (United States)

Bhuyan, Atool Chandra; Latha, Satheesh Sasidharan; Jain, Shefali; Kataki, Rubi

2014-11-01

Pain management remains the utmost important qualifying criteria in minimizing patient agony and establishing a strong dentist-patient rapport. Symptomatic irreversible pulpitis is a painful condition necessitating immediate attention and supplemental anesthetic techniques are often resorted to in addition to conventional inferior alveolar nerve block. The purpose of the study was to evaluate the anesthetic efficacy of X-tip intraosseous injection in patients with symptomatic irreversible pulpitis, in mandibular posterior teeth, using 4% Articaine with 1:100,000 adrenaline as local anesthetic, when the conventional inferior alveolar nerve block proved ineffective. X-tip system was used to administer 1.7 ml of 4% articaine with 1:100,000 adrenaline in 30 patients diagnosed with irreversible pulpitis of mandibular posterior teeth with moderate to severe pain on endodontic access after administration of an inferior alveolar nerve block. The results of the study showed that 25 X-tip injections (83.33%) were successful and 5 X-tip injections (16.66%) were unsuccessful. When the inferior alveolar nerve block fails to provide adequate pulpal anesthesia, X-tip system using 4% articaine with 1:100,000 adrenaline was successful in achieving pulpal anesthesia in patients with irreversible pulpitis.

Energy Saver: Tips on Saving Money & Energy at Home

Energy Technology Data Exchange (ETDEWEB)

None

2017-09-01

Provides consumers with home energy and money savings tips such as insulation, weatherization, heating, cooling, water heating, energy efficient windows, landscaping, lighting, and energy efficient appliances.

Energy Savers: Tips on Saving Money & Energy at Home

Energy Technology Data Exchange (ETDEWEB)

None

2011-12-01

Provides consumers with home energy and money savings tips such as insulation, weatherization, heating, cooling, water heating, energy efficient windows, landscaping, lighting, and energy efficient appliances.

Energy Savers: Tips on Saving Money & Energy at Home

Energy Technology Data Exchange (ETDEWEB)

None

2014-05-01

Provides consumers with home energy and money savings tips such as insulation, weatherization, heating, cooling, water heating, energy efficient windows, landscaping, lighting, and energy efficient appliances.

Energy Savers Tips on Saving Energy& Money at Home

Energy Technology Data Exchange (ETDEWEB)

2003-06-01

Provides consumers with home energy and money savings tips such as insulation, weatherization, heating, cooling, water heating, energy efficient windows, landscaping, lighting, and energy efficient appliances

Osmotic Pressure Simulations of Amino Acids and Peptides Highlight Potential Routes to Protein Force Field Parameterization

Science.gov (United States)

Miller, Mark S.; Lay, Wesley K.

2016-01-01

Recent molecular dynamics (MD) simulations of proteins have suggested that common force fields overestimate the strength of amino acid interactions in aqueous solution. In an attempt to determine the causes of these effects, we have measured the osmotic coefficients of a number of amino acids using the AMBER ff99SB-ILDN force field with two popular water models, and compared the results with available experimental data. With TIP4P-Ew water, interactions between aliphatic residues agree well with experiment, but interactions of the polar residues serine and threonine are found to be excessively attractive. For all tested amino acids, the osmotic coefficients are lower when the TIP3P water model is used. Additional simulations performed on charged amino acids indicate that the osmotic coefficients are strongly dependent on the parameters assigned to the salt ions, with a reparameterization of the sodium:carboxylate interaction reported by the Aksimentiev group significantly improving description of the osmotic coefficient for glutamate. For five neutral amino acids, we also demonstrate a decrease in solute-solute attractions using the recently reported TIP4P-D water model and using the KBFF force field. Finally, we show that for four two-residue peptides improved agreement with experiment can be achieved by re-deriving the partial charges for each peptide. PMID:27052117

Tip Saves Energy, Money for Pennsylvania Plant

Science.gov (United States)

A wastewater treatment plant in Berks County, Pennsylvania is saving nearly $45,000 a year and reducing hundreds of metric tons of greenhouse gases since employing an energy conservation tip offered by the Water Protection Division in EPA’s R3 and PADEP.

Comparison of different types of phacoemulsification tips. I. Quantitative analysis of elemental composition and tip surface microroughness.

Science.gov (United States)

Tsaousis, Konstantinos T; Werner, Liliana; Perez, Jesus Paulo; Li, He J; Reiter, Nicholas; Guan, Jia J; Mamalis, Nick

2016-09-01

To evaluate the elemental composition of phacoemulsification tips and their surface roughness in the microscale. John A. Moran Eye Center and Utah Nanofab, College of Engineering, University of Utah, Salt Lake City, Utah, USA. Experimental study. Seven types of phacoemulsification tips were studied. The phaco tips were examined through energy-dispersive x-ray spectroscopy (EDS) and x-ray photoelectron spectroscopy (XPS) for elemental composition. In addition, the roughness of the opening in all tips was assessed through 3-dimensional white-light interferometry. Elemental analysis showed considerable differences in the surface layers between manufacturers. Alcon tips had a thinner oxidized titanium (Ti) layer in their surface. Through XPS, vanadium was not detected in the superficial layers of any tip, but only in deeper levels. The microroughness surface analysis showed comparable results regarding their root-mean-square (RMS) metric. Maximum peak valley distance values varied and appeared to be dependent on the quality of material process rather than the material itself. Phacoemulsification tips are made of Ti alloys and showed differences between models, especially regarding their composition in the superficial layers. Their opening end roughness showed an overall appropriate RMS value of less than 1.0 μm in all cases. The existence of small defected areas highlights the importance of adequate quality control of these critical surgical instruments. None of the authors has a financial or proprietary interest in any material or method mentioned. Copyright © 2016 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

Facile formation of 2D Co2P@Co3O4 microsheets through in-situ toptactic conversion and surface corrosion: Bifunctional electrocatalysts towards overall water splitting

Science.gov (United States)

Yao, Lihua; Zhang, Nan; Wang, Yin; Ni, Yuanman; Yan, Dongpeng; Hu, Changwen

2018-01-01

Exploring efficient non-precious electrocatalysts for both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is crucial for many renewable energy conversion processes. In this work, we report that 2D Co2P@Co3O4 microsheets can be prepared through an in-situ toptactic conversion from single-crystal β-Co(OH)2 microplatelets, associated with a surface phosphatization and corrosion process. The resultant Co2P@Co3O4 2D hybrid materials can further serve as self-supported bifunctional catalytic electrodes to drive the overall water splitting for HER and OER simultaneously, with low overpotentials and high long-term stability. Furthermore, a water electrolyzer based on Co2P@Co3O4 hybrid as both anode and cathode is fabricated, which achieves 10 mA cm-2 current at only 1.57 V during water splitting process. Therefore, this work provides a facile strategy to obtain 2D Co2P-based micro/nanostructures, which act as low-cost and highly active electrocatalysts towards overall water splitting application.

Observations of tip vortex cavitation inception from a model marine propeller

Science.gov (United States)

Lodha, R. K.; Arakeri, V. H.

1984-01-01

Cavitation inception characteristics of a model marine propeller having three blades, developed area ratio of 0.34 and at three different pitch to diameter ratios of 0.62, 0.83 and 1.0 are reported. The dominant type of cavitation observed at inception was the tip vortex type. The measured magnitude of inception index is found to agree well with a proposed correlation due to Strasberg. Performance calculations of the propeller based on combined vortex and blade element theory are also presented.

The effect of tip speed ratio on a vertical axis wind turbine at high Reynolds numbers

Science.gov (United States)

Parker, Colin M.; Leftwich, Megan C.

2016-05-01

This work visualizes the flow surrounding a scaled model vertical axis wind turbine at realistic operating conditions. The model closely matches geometric and dynamic properties—tip speed ratio and Reynolds number—of a full-size turbine. The flow is visualized using particle imaging velocimetry (PIV) in the midplane upstream, around, and after (up to 4 turbine diameters downstream) the turbine, as well as a vertical plane behind the turbine. Time-averaged results show an asymmetric wake behind the turbine, regardless of tip speed ratio, with a larger velocity deficit for a higher tip speed ratio. For the higher tip speed ratio, an area of averaged flow reversal is present with a maximum reverse flow of -0.04U_∞. Phase-averaged vorticity fields—achieved by syncing the PIV system with the rotation of the turbine—show distinct structures form from each turbine blade. There were distinct differences in results by tip speed ratios of 0.9, 1.3, and 2.2 of when in the cycle structures are shed into the wake—switching from two pairs to a single pair of vortices being shed—and how they convect into the wake—the middle tip speed ratio vortices convect downstream inside the wake, while the high tip speed ratio pair is shed into the shear layer of the wake. Finally, results show that the wake structure is much more sensitive to changes in tip speed ratio than to changes in Reynolds number.

An osmotic model of the growing pollen tube.

Directory of Open Access Journals (Sweden)

Adrian E Hill

Full Text Available Pollen tube growth is central to the sexual reproduction of plants and is a longstanding model for cellular tip growth. For rapid tip growth, cell wall deposition and hardening must balance the rate of osmotic water uptake, and this involves the control of turgor pressure. Pressure contributes directly to both the driving force for water entry and tip expansion causing thinning of wall material. Understanding tip growth requires an analysis of the coordination of these processes and their regulation. Here we develop a quantitative physiological model which includes water entry by osmosis, the incorporation of cell wall material and the spreading of that material as a film at the tip. Parameters of the model have been determined from the literature and from measurements, by light, confocal and electron microscopy, together with results from experiments made on dye entry and plasmolysis in Lilium longiflorum. The model yields values of variables such as osmotic and turgor pressure, growth rates and wall thickness. The model and its predictive capacity were tested by comparing programmed simulations with experimental observations following perturbations of the growth medium. The model explains the role of turgor pressure and its observed constancy during oscillations; the stability of wall thickness under different conditions, without which the cell would burst; and some surprising properties such as the need for restricting osmotic permeability to a constant area near the tip, which was experimentally confirmed. To achieve both constancy of pressure and wall thickness under the range of conditions observed in steady-state growth the model reveals the need for a sensor that detects the driving potential for water entry and controls the deposition rate of wall material at the tip.

An Osmotic Model of the Growing Pollen Tube

Science.gov (United States)

Hill, Adrian E.; Shachar-Hill, Bruria; Skepper, Jeremy N.; Powell, Janet; Shachar-Hill, Yair

2012-01-01

Pollen tube growth is central to the sexual reproduction of plants and is a longstanding model for cellular tip growth. For rapid tip growth, cell wall deposition and hardening must balance the rate of osmotic water uptake, and this involves the control of turgor pressure. Pressure contributes directly to both the driving force for water entry and tip expansion causing thinning of wall material. Understanding tip growth requires an analysis of the coordination of these processes and their regulation. Here we develop a quantitative physiological model which includes water entry by osmosis, the incorporation of cell wall material and the spreading of that material as a film at the tip. Parameters of the model have been determined from the literature and from measurements, by light, confocal and electron microscopy, together with results from experiments made on dye entry and plasmolysis in Lilium longiflorum. The model yields values of variables such as osmotic and turgor pressure, growth rates and wall thickness. The model and its predictive capacity were tested by comparing programmed simulations with experimental observations following perturbations of the growth medium. The model explains the role of turgor pressure and its observed constancy during oscillations; the stability of wall thickness under different conditions, without which the cell would burst; and some surprising properties such as the need for restricting osmotic permeability to a constant area near the tip, which was experimentally confirmed. To achieve both constancy of pressure and wall thickness under the range of conditions observed in steady-state growth the model reveals the need for a sensor that detects the driving potential for water entry and controls the deposition rate of wall material at the tip. PMID:22615784

Aeroelastic behavior of composite rotor blades with swept tips

Science.gov (United States)

Yuan, Kuo-An; Friedmann, Peretz P.; Venkatesan, Comandur

1992-01-01

This paper presents an analytical study of the aeroelastic behavior of composite rotor blades with straight and swept tips. The blade is modeled by beam type finite elements. A single finite element is used to model the swept tip. The nonlinear equations of motion for the finite element model are derived using Hamilton's principle and based on a moderate deflection theory and accounts for: arbitrary cross-sectional shape, pretwist, generally anisotropic material behavior, transverse shears and out-of-plane warping. Numerical results illustrating the effects of tip sweep, anhedral and composite ply orientation on blade aeroelastic behavior are presented. It is shown that composite ply orientation has a substantial effect on blade stability. At low thrust conditions, certain ply orientations can cause instability in the lag mode. The flap-torsion coupling associated with tip sweep can also induce aeroelastic instability in the blade. This instability can be removed by appropriate ply orientation in the composite construction.

An attempt to optimize potassium sorbate use to preserve low pH (4.5-5.5) intermediate moisture bakery products by modelling Eurotium spp., Aspergillus spp. and Penicillium corylophilum growth.

Science.gov (United States)

Guynot, M Elena; Marín, Sonia; Sanchis, Vicente; Ramos, Antonio J

2005-05-25

Mould growth was modelled on fermented bakery product analogues (FBPA) of two different pH (4.5 and 5.5), different water activity (a(w)) levels (0.80-0.90) and potassium sorbate concentrations (0-0.3%) by using seven moulds commonly causing spoilage of bakery products (Eurotium spp., Aspergillus spp. and Penicillium corylophilum). For the description of fungal growth (growth rates) as a function of a(w), potassium sorbate concentration and pH, 10-terms polynomial models were developed. Modelling enables prediction of spoilage during storage as a function of the factors affecting fungal growth. At pH 4.5 the concentration of potassium sorbate could be reduced to some extent only at low levels of a(w), whereas at pH 5.5 fungal growth was observed even by adding 0.3% of potassium sorbate. However, this preservative could be a valuable alternative as antifungal in such bakery product, of slightly acidic pH, if a long shelf life has not to be achieved.

Influence of CVD diamond tips and Er:YAG laser irradiation on bonding of different adhesive systems to dentin.

Science.gov (United States)

da Silva, Melissa Aline; Di Nicolo, Rebeca; Barcellos, Daphne Camara; Batista, Graziela Ribeiro; Pucci, Cesar Rogerio; Rocha Gomes Torres, Carlos; Borges, Alessandra Bühler

2013-01-01

The aim of this study was to compare the microtensile bond strength of three adhesive systems, using different methods of dentin preparation. A hundred and eight bovine teeth were used. The dentin from buccal face was exposed and prepared with three different methods, divided in 3 groups: Group 1 (DT)- diamond tip on a high-speed handpiece; Group 2 (CVD)-CVD tip on a ultrasonic handpiece; Group 3 (LA)-Er: YAG laser. The teeth were divided into 3 subgroups, according adhesive systems used: Subgroup 1-Adper Single Bond Plus/3M ESPE (SB) total-etch adhesive; Subgroup 2-Adper Scotchbond SE/3M ESPE (AS) selfetching adhesive; Subgroup 3-Clearfil SE Bond/Kuraray (CS) selfetching adhesive. Blocks of composite (Filtek Z250-3M ESPE) 4 mm high were built up and specimens were stored in deionized water for 24 hours at 37°C. Serial mesiodistal and buccolingual cuts were made and stick-like specimens were obtained, with transversal section of 1.0 mm(2). The samples were submitted to microtensile test at 1 mm/min and load of 10 kg in a universal testing machine. Data (MPa) were subjected to ANOVA and Tukey's tests (p adhesive produced significantly lower bond strength values compared to other groups. Surface treatment with Er: YAG laser associated with Single Bond Plus or Clearfil SE Bond adhesives and surface treatment with CVD tip associated with Adper Scotchbond SE adhesive produced significantly lower bond strength values compared to surface treatment with diamond or CVD tips associated with Single Bond Plus or Adper Scotchbond SE adhesives. Interactions between laser and the CVD tip technologies and the different adhesive systems can produce a satisfactory bonding strength result, so that these associations may be beneficial and enhance the clinical outcomes.

Is Your Drinking Water Acidic? A Comparison of the Varied pH of Popular Bottled Waters.

Science.gov (United States)

Wright, Kellie F

2015-06-01

Dental professionals continually educate patients on the dangers of consuming acidic foods and beverages due to their potential to contribute to dental erosion and tooth decay. Excess acid in the diet can also lead to acidosis, which causes negative systemic side effects. However, water is not typically categorized as acidic. The purpose of this in-vitro study was to investigate the pH levels of several popular brands of bottled water and compare them to various other acidic beverages. Two different brands of marketed alkaline water (with a pH of 8.8 or higher) were also studied, tested for acidity and described. A pilot in-vitro study was conducted to determine the pH levels of a convenience sample of popular brands of bottled water, tap water and other known acidic beverages in comparison with the pH values reported on the respective manufacturers' website. Each beverage was tested in a laboratory using a calibrated Corning pH meter model 240, and waters were compared to the corresponding company's testified pH value. Waters were also compared and contrasted based on their process of purification. The data was then compiled and analyzed descriptively. The pH values for the tested beverages and bottled waters were found to be predominantly acidic. Ten out of the 14 beverages tested were acidic (pHwaters were neutral (pH=7) and 2 bottled waters were alkaline (pH>7). The majority of waters tested had a more acidic pH when tested in the lab than the value listed in their water quality reports. It is beneficial for the health care provider to be aware of the potential acidity of popular bottled drinking waters and educate patients accordingly. Copyright © 2015 The American Dental Hygienists’ Association.

P4-ATPases

DEFF Research Database (Denmark)

Lopez Marques, Rosa Laura; Theorin, Lisa; Palmgren, Michael Broberg

2014-01-01

) comprises lipid flippases that catalyze the translocation of phospholipids from the exoplasmic to the cytosolic leaflet of cell membranes. While initially characterized as aminophospholipid translocases, recent studies of individual P4-ATPase family members from fungi, plants, and animals show that P4......Cellular membranes, notably eukaryotic plasma membranes, are equipped with special proteins that actively translocate lipids from one leaflet to the other and thereby help generate membrane lipid asymmetry. Among these ATP-driven transporters, the P4 subfamily of P-type ATPases (P4-ATPases...... to include the regulation of membrane traffic, cytoskeletal dynamics, cell division, lipid metabolism, and lipid signaling. In this review, we will summarize the basic features of P4-ATPases and the physiological implications of their lipid transport activity in the cell....

Characterization of SCC crack tips and surface oxide layers in alloy 600

Energy Technology Data Exchange (ETDEWEB)

Fujii, Katsuhiko; Fukuya, Koji [Inst. of Nuclear Safety System Inc., Mihama, Fukui (Japan)

2002-09-01

In order to investigate the mechanism of primary water stress corrosion cracking (SCC), direct observation of microstructures of SCC crack tips and surface oxide layers in alloy 600 were carried out. A focused-ion beam (FIB) micro-processing technique was applied to prepare electron transparent foils including the crack tip and the surface oxide layer without any damage to those microstructures. Transmission electron microscopy and analysis were used to characterize the crack tips and surface oxide layers. Cr-rich oxides and a metal-Ni phase were identified in the crack tips and grain boundaries ahead of the crack tips independent of dissolved hydrogen concentrations. >From the fact that the Cr-rich oxides and metal-Ni phase were observed in the inner surface oxide layer, the same oxidation mechanism as the surface is proposed for the crack tip region and internal oxidation accompanying selective Cr oxidation is suggested as the mechanism. (author)

Anesthetic efficacy of the supplemental X-tip intraosseous injection using 4% articaine with 1:100,000 adrenaline in patients with irreversible pulpitis: An in vivo study

Science.gov (United States)

Bhuyan, Atool Chandra; Latha, Satheesh Sasidharan; Jain, Shefali; Kataki, Rubi

2014-01-01

Introduction: Pain management remains the utmost important qualifying criteria in minimizing patient agony and establishing a strong dentist–patient rapport. Symptomatic irreversible pulpitis is a painful condition necessitating immediate attention and supplemental anesthetic techniques are often resorted to in addition to conventional inferior alveolar nerve block. Aim: The purpose of the study was to evaluate the anesthetic efficacy of X-tip intraosseous injection in patients with symptomatic irreversible pulpitis, in mandibular posterior teeth, using 4% Articaine with 1:100,000 adrenaline as local anesthetic, when the conventional inferior alveolar nerve block proved ineffective. Materials and Methods: X-tip system was used to administer 1.7 ml of 4% articaine with 1:100,000 adrenaline in 30 patients diagnosed with irreversible pulpitis of mandibular posterior teeth with moderate to severe pain on endodontic access after administration of an inferior alveolar nerve block. Results: The results of the study showed that 25 X-tip injections (83.33%) were successful and 5 X-tip injections (16.66%) were unsuccessful. Conclusion: When the inferior alveolar nerve block fails to provide adequate pulpal anesthesia, X-tip system using 4% articaine with 1:100,000 adrenaline was successful in achieving pulpal anesthesia in patients with irreversible pulpitis. PMID:25506137

Geant4-DNA simulation of electron slowing-down spectra in liquid water

Energy Technology Data Exchange (ETDEWEB)

Incerti, S., E-mail: sebastien.incerti@tdt.edu.vn [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Univ. Bordeaux, CENBG, UMR 5797, F-33170, Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Kyriakou, I. [Medical Physics Laboratory, University of Ioannina Medical School, 45110 Ioannina (Greece); Tran, H.N. [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam)

2017-04-15

This work presents the simulation of monoenergetic electron slowing-down spectra in liquid water by the Geant4-DNA extension of the Geant4 Monte Carlo toolkit (release 10.2p01). These spectra are simulated for several incident energies using the most recent Geant4-DNA physics models, and they are compared to literature data. The influence of Auger electron production is discussed. For the first time, a dedicated Geant4-DNA example allowing such simulations is described and is provided to Geant4 users, allowing further verification of Geant4-DNA track structure simulation capabilities.

PARTIAL TRISOMY 4p AND PARTIAL MONOSOMY 13q: CASE REPORT AND A LITERATURE REVIEW.

Science.gov (United States)

Puvabanditsin, S; Herrera-Garcia, G; Gengel, N; Hussein, K; February, M; Mayne, J; Mehta, R

2016-01-01

We report on a term first born dichorionic-diamniotic twin with deletion of the distal long arm of chromosome 13, partial trisomy of the short arm of chromosome 4, intrauterine growth retardation, and multiple anomalies including microcephaly, colpocephaly, absent corpus callosum, bulbous tip of the nose, large and low set ears, macroglossia, thin upper lip, double outlet right ventricle, atria/ventricular septal defect, cleft mitral valve, pulmonary stenosis, single umbilical artery, multicystic dysplastic left kidney, sacral dimple, anterior displacement of anus, simian creases, abnormal thumb (congenital clasped thumb), overlapping toes, and congenital hypothyroidism. This is the first report of a patient with partial trisomy 4p and partial monosomy 13q.

Optical model analysis of intermediate energy p-4He scattering

International Nuclear Information System (INIS)

Greben, J.M.; Gourishankar, R.

1983-03-01

Recent Wolfenstein R-parameter data are used to explain and resolve previous problems with optical model descriptions of p- 4 He elastic scattering at 500 MeV. An essential component in this optical model analysis is a qualitative interpretation of different features of the elastic data in terms of the Born approximation. First we show that the R-data require the real spin-orbit potential to have certain geometrical properties which were missing in previous analyses. We can then show that the fast fall-off of the cross-section for small angles, together with the rapid increase and subsequent decrease of the polarization, establishes the need for an attractive tail in the real central potentials can also be inferred from this qualitative analysis, in particular a strong reduction of the spin-orbit potential. Our final potential gives a reduction of the X 2 /datapoint by about 20 in comparison to previous potentials, and underlines the usefulness of the qualitative Born analysis

Comparison of Tongue-in-Groove and Columellar Strut on Rotation and Projection in Droopy Nasal Tip: Contribution of a Cap Graft.

Science.gov (United States)

Demir, Uygar Levent

2018-05-01

Underrotation of the nasal tip with narrow nasolabial angle is a common nasal deformity that leads to a long nose appearance, named drooping nose. In these patients, there are various techniques described to correct droopy tip and to achieve a desirable nasal tip rotation such as lateral crural steal, lateral crural overlay, tongue-ingroove, columellar strut graft, tip rotation sutures, cephalic trimming, and others. In this study, the effects of tongue-in-groove (TIG) and columellar strut graft (CS) and the contribution of cap graft on nasal tip rotation and projection were evaluated. Twenty-eight consecutive patients who underwent open approach rhinoplasty by the same senior author (ULD) between January 2015 and December 2016 with the diagnosis of septonasal deformity and droopy nasal tip were included. In 9 of these patients nasal tip was constructed with strut graft, in 6 patients with both strut and cap grafts, in 6 patients with TIG technique and in 7 patients with both TIG and cap graft. Standardized right lateral images were taken preoperatively and 6 months postoperatively to use for further assessments. The nasal tip rotation was evaluated by measuring nasolabial angle (NLA) and the nasal projection (NP) was evaluated by using the Goode method. Finally, the postoperative values of NLA and NP at the 6th month were compared with preoperative recorded values in between groups. Each group showed increase at nasal projection; however, significance was present only in CS graft and TIG groups (P=0.011 and P=0.027 relatively). Each 4 groups showed significant increase in nasal tip rotation. In addition, the comparison of percent changes between preoperative and postoperative NP and NLA revealed no difference (P=0.56 and P=0.431 relatively). In conclusion, the authors argued that TIG and CS graft techniques are both reliable methods to correct droopy nasal tip and using additional cap graft over dome area when required is safe and useful.

Short communication: QTL mapping for ear tip-barrenness in maize

Energy Technology Data Exchange (ETDEWEB)

Ding, J.; Ma, J.; Chen, J.; Ai, T.; Li, Z.; Tian, Z.; Wu, S.; Chen, W.; Wu, J.

2016-11-01

Barren tip on corn ear is an important agronomic trait in maize, which is highly associated with grain yield. Understanding the genetic basis of tip-barrenness may help to reduce the ear tip-barrenness in breeding programs. In this study, ear tip-barrenness was evaluated in two environments in a F2:3 population, and it showed significant genotypic variation for ear tip-barrenness in both environments. Using mixed-model composite interval mapping method, three additive effects quantitative trait loci (QTL) for ear tip-barrenness were mapped on chromosomes 2, 3 and 6, respectively. They explained 16.6% of the phenotypic variation, and no significant QTL × Environment interactions and digenic interactions were detected. The results indicated that additive effect was the main genetic basis for ear tip-barrenness in maize. This is the first report of QTL mapped for ear tip-barrenness in maize. (Author)

Scaled multiple holes suction tip for microneurosurgery; Technical note

Directory of Open Access Journals (Sweden)

Abdolkarim Rahmanian, Associate Professor of Neurosurgery

2017-12-01

Conclusion: The new suction tip permits easy and precise adjustment of suction power in microneurosirgical operations. Our scaled 3 and 4-hole suction tip is a simple and useful device for controlling the suction power during the microneurosurgeical procedures.

The temperature dependence of intermediate range oxygen-oxygen correlations in liquid water

International Nuclear Information System (INIS)

Schlesinger, Daniel; Pettersson, Lars G. M.; Wikfeldt, K. Thor; Skinner, Lawrie B.; Benmore, Chris J.; Nilsson, Anders

2016-01-01

We analyze the recent temperature dependent oxygen-oxygen pair-distribution functions from experimental high-precision x-ray diffraction data of bulk water by Skinner et al. [J. Chem. Phys. 141, 214507 (2014)] with particular focus on the intermediate range where small, but significant, correlations are found out to 17 Å. The second peak in the pair-distribution function at 4.5 Å is connected to tetrahedral coordination and was shown by Skinner et al. to change behavior with temperature below the temperature of minimum isothermal compressibility. Here we show that this is associated also with a peak growing at 11 Å which strongly indicates a collective character of fluctuations leading to the enhanced compressibility at lower temperatures. We note that the peak at ∼13.2 Å exhibits a temperature dependence similar to that of the density with a maximum close to 277 K or 4 °C. We analyze simulations of the TIP4P/2005 water model in the same manner and find excellent agreement between simulations and experiment albeit with a temperature shift of ∼20 K.

The temperature dependence of intermediate range oxygen-oxygen correlations in liquid water

Energy Technology Data Exchange (ETDEWEB)

Schlesinger, Daniel; Pettersson, Lars G. M., E-mail: Lars.Pettersson@fysik.su.se [Department of Physics, AlbaNova University Center, Stockholm University, SE-106 91 Stockholm (Sweden); Wikfeldt, K. Thor [Department of Physics, AlbaNova University Center, Stockholm University, SE-106 91 Stockholm (Sweden); Science Institute, University of Iceland, VR-III, 107 Reykjavik (Iceland); Skinner, Lawrie B.; Benmore, Chris J. [X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Nilsson, Anders [Department of Physics, AlbaNova University Center, Stockholm University, SE-106 91 Stockholm (Sweden); Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

2016-08-28

We analyze the recent temperature dependent oxygen-oxygen pair-distribution functions from experimental high-precision x-ray diffraction data of bulk water by Skinner et al. [J. Chem. Phys. 141, 214507 (2014)] with particular focus on the intermediate range where small, but significant, correlations are found out to 17 Å. The second peak in the pair-distribution function at 4.5 Å is connected to tetrahedral coordination and was shown by Skinner et al. to change behavior with temperature below the temperature of minimum isothermal compressibility. Here we show that this is associated also with a peak growing at 11 Å which strongly indicates a collective character of fluctuations leading to the enhanced compressibility at lower temperatures. We note that the peak at ∼13.2 Å exhibits a temperature dependence similar to that of the density with a maximum close to 277 K or 4 °C. We analyze simulations of the TIP4P/2005 water model in the same manner and find excellent agreement between simulations and experiment albeit with a temperature shift of ∼20 K.

The 4s24p3-4s4p4 transition in AsI-like AgXV

International Nuclear Information System (INIS)

Dong Chenzhong; Zhao Jinbao

1992-01-01

Some terms of the 4s 4p 4 configuration in RuXII, RhXIII and PdXIV ions can be improved and all the energy values of the configuration in AgXV can be predicted theoretically by means of a configuration-interaction ab initio analysis for the level structure of the 4s 4p 4 configuration along the AsI sequence of KrIV-AgXV ions. Calculations of the wavelengths and oscillator strenghts are presented for the 4s 2 4p 3 -4s 4p 4 transition in AgXV. (orig.)

Newborn Care: 10 Tips for Stressed-Out Parents

Science.gov (United States)

... a veteran, consider 10 practical tips to keep stress under control. Resist the urge to count caffeine as a major food group or a substitute for sleep. Instead, eat a healthy diet, drink plenty of water and get some ...

Tipping Point

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Full Text Available ... death electrical fall furniture head injury product safety television tipover tv Watch the video in Adobe Flash ... tv tip-overs. The force of a large television falling from tipping furniture can be staggering. A ...

Tipping Point

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Full Text Available ... and furniture, appliance and tv tip-overs. The force of a large television falling from tipping furniture ... 50 lb. TV falls with about the same force as child falling from the third story of ...

Tipping Point

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Full Text Available ... Tipping Point by CPSC Blogger September 22, 2009 appliance child Childproofing CPSC danger death electrical fall furniture ... about horrible accidents involving young children and furniture, appliance and tv tip-overs. The force of a ...

Quaternary association in β-prism I fold plant lectins: Insights from X ...

Indian Academy of Sciences (India)

The importance of quaternary association in the structure and function of proteins .... a locally maintained PDB-FTP anonymous server at the. Bioinformatics ... TIP4P water model using the program genbox available in the GROMACS suite.

Tips pentacene crystal alignment for improving performance of solution processed organic thin film transistors

Science.gov (United States)

He, Zhengran

A newly-developed p-type organic semiconductor 6,13-bis (triisopropylsilylethynyl) pentacene (TIPS pentacene) demonstrates various advantages such as high mobility, air stability and solution processibility, but at the same time its application is restricted by major issues, such as crystal misorientation and performance variation of organic thin-film transistors (OTFTs). This dissertation demonstrates several different approaches to address these issues. As a result, both crystal orientation and areal coverage can be effectively improved, leading to an enhancement of average mobility and performance consistency of OTFTs. Chapter 1 presents an introduction and background of this dissertation. Chapter 2 explores the usage of inorganic silica nanoparticles to manipulate the morphology of TIPS pentacene thin films and the performance of solution-processed organic OTFTs. The resultant drop-cast films yield improved morphological uniformity at ~10% SiO2 loading, which also leads to a 3-fold increase in average mobility and nearly 4-times reduction in the ratio of standard deviation of mobility (μStdev) to average mobility (μAvg). The experimental results suggest that the SiO2 nanoparticles mostly aggregate at TIPS pentacene grain boundaries, and that 10% nanoparticle concentration effectively reduces the undesirable crystal misorientation without considerably compromising TIPS pentacene crystallinity. Chapter 3 discusses the utilization of air flow to effectively reduce the TIPS pentacene crystal anisotropy and enhance performance consistency in OTFTs. Under air-flow navigation (AFN), TIPS pentacene forms thin films with improved crystal orientation and increased areal coverage, which subsequently lead to a four-fold increase of average hole mobility and one order of magnitude enhancement in performance consistency. Chapter 4 investigates the critical roles of lateral and vertical phase separation in the performance of the next-generation organic and hybrid electronic

Understanding and Mitigating Tip Leakage and Endwall Losses in High Pressure Ratio Cores

Science.gov (United States)

Christophel, Jesse

2015-01-01

Reducing endwall and tip secondary flow losses will be a key enabler for the next generation of commercial and military air transport and will be an improvement on the state-of-the-art in turbine loss reduction strategies. The objective of this research is three-fold: 1) To improve understanding of endwall secondary flow and tip clearance losses 2) To develop novel technologies to mitigate these losses and test them in low-speed cascade and rig environments 3) To validate predictive tools To accomplish these objectives, Pratt & Whitney (P&W) has teamed with Pennsylvania State University (PSU) to experimentally test new features designed by P&W. P&W will create new rim-cavity features to reduce secondary flow loss and improve purge flow cooling effectiveness and new blade tip features to manage leakage flows and reduce tip leakage secondary flow loss. P&W is currently developing technologies in these two areas that expect to be assimilated in the N+2/N+3 generation of commercial engines.

Tips for TIPS

NARCIS (Netherlands)

Cuijpers, C.F.

2015-01-01

The transjugular intrahepatic portosystemic shunt (TIPS) procedure is one of the most technically challenging procedures in interventional radiology. During the procedure, interventional radiologists (IRs) insert very thin and long instruments through a little incision in the patient’s neck. They

CPAP Tips

Science.gov (United States)

... now Try it free Find out why Close CPAP Tips from FDA USFoodandDrugAdmin Loading... Unsubscribe from USFoodandDrugAdmin? ... apnea and use a continuous positive airway pressure (CPAP) device when sleeping? Here are some tips from ...

STREAMFLOW AND WATER QUALITY REGRESSION MODELING ...

African Journals Online (AJOL)

... downstream Obigbo station show: consistent time-trends in degree of contamination; linear and non-linear relationships for water quality models against total dissolved solids (TDS), total suspended sediment (TSS), chloride, pH and sulphate; and non-linear relationship for streamflow and water quality transport models.

Trade and Industrial Policy Strategies (TIPS) Core Grant - Phase IV ...

International Development Research Centre (IDRC) Digital Library (Canada)

Established in 1996, Trade and Industrial Policy Strategies (TIPS) is an organization that coordinates a network of researchers that seeks to provide the Government of ... International Water Resources Association, in close collaboration with IDRC, is holding a webinar titled “Climate change and adaptive water management: ...

Tipping Point

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Full Text Available ... OnSafety CPSC Stands for Safety The Tipping Point Home > 60 Seconds of Safety (Videos) > The Tipping Point ... 24 hours a day. For young children whose home is a playground, it’s the best way to ...

Counter-measures to reduce the effects of spoil tips on the quality of ground water-standard-setting boundary conditions and implementation; Gegenmassnahmen zur Verminderung der Auswirkungen von Abraumkippen auf die Grundwasserbeschaffenheit. Normative Rahmenbedingungen und Umsetzung

Energy Technology Data Exchange (ETDEWEB)

Cremer, Nils [Erfverband, Bergheim (Germany). Abt. Grundwasser; Bolle, Christian [Ministerium fuer Wirtschaft, Energie, Bauen, Wohnen und Verkehr des Landes Nordrhein-Westfalen, Duesseldorf (Germany)

2010-10-15

The lignite mining industry in North Rhine-Westphalia gives rise to large spoil tips because of the mining methods. In the Rhenish lignite districts spoil quantities of over 30 bn m{sup 3} will accumulate in tips covering a total area of 300 km{sup 2} by the end of open-cast mining in the 2040s. It is important to counteract by suitable measures the effects of these waste tips, which are characterised essentially by pyrite oxidation, on the future quality of ground water after its renewed rise. This contribution describes the counter-measures already used for some time to reduce the effects on the ground water quality both from standard-setting, chemical and technical points of view. Furthermore the effectiveness of the measures described and thus the contribution to ground water protection and also to safeguard of the water supply can be specified. (orig.)

SYNTHESIS OF TETRA-p-PROPENYLTETRAESTERCALIX[4]ARENE AND TETRA-p-PROPENYLTETRACARBOXYLICACIDCALIX[4]ARENE FROM p-t-BUTYLPHENOL

Directory of Open Access Journals (Sweden)

Triana Kusumaningsih

2010-06-01

Full Text Available A research has been conducted to synthesize tetra-p-propenyltetraestercalix[4]arene and tetra-p-propenyltetracarboxylicacidcalix[4] arene using p-t-butylphenol as a starting material. The synthesis was carried out in following stages, i.e (1 synthesis of p-t-butylcalix[4]arene from p-t-butylphenol, (2 debutylation of p-t-butylcalix[4]arene, (3 tetraallilation of 25,26,27,28-tetrahydroxycalix[4]arene with NaH and allilbromida in dry tetrahydrofuran, (4 Claissen rearrangement of 25,26,27,28-tetrapropenyloxycalix[4]arene, (5 esterification of tetra-p-propenyltetrahydroxycalix[4]arene, (6 hydrolisis of tetra-p-propenyltetraestercalix[4]arene. The all structures of products were observed by means of melting point, FTIR, and 1H-NMR spectrometers. Tetra-p-propenyltetraestercalix[4]arene compound was obtained as yellow liquid product in 55.08% yield. Tetra-p-propenyltetracarboxylicacidcalix[4]arene compound was obtained as white solid product with the melting point 135-137 °C at decomposed and in 70.05% yield.   Keywords: calix[4]arene, Claissen rearrangement, esterification, hydrolisis

Effect of Tip-Speed Constraints on the Optimized Design of a Wind Turbine

Energy Technology Data Exchange (ETDEWEB)

Dykes, K.; Resor, B.; Platt, A.; Guo, Y.; Ning, A.; King, R.; Parsons, T.; Petch, D.; Veers, P.

2014-10-01

This study investigates the effect of tip-velocity constraints on system levelized cost of energy (LCOE). The results indicate that a change in maximum tip speed from 80 to 100~m/s could produce a 32% decrease in gearbox weight (a 33% reduction in cost) which would result in an overall reduction of 1%-9% in system LCOE depending on the design approach. Three 100~m/s design cases were considered including a low tip-speed ratio/high-solidity rotor design, a high tip-speed ratio/ low-solidity rotor design, and finally a flexible blade design in which a high tip-speed ratio was used along with removing the tip deflection constraint on the rotor design. In all three cases, the significant reduction in gearbox weight caused by the higher tip-speed and lower overall gear ratio was counterbalanced by increased weights for the rotor and/or other drivetrain components and the tower. As a result, the increased costs of either the rotor or drivetrain components offset the overall reduction in turbine costs from down-sizing the gearbox. Other system costs were not significantly affected, whereas energy production was slightly reduced in the 100~m/s case low tip-speed ratio case and increased in the high tip-speed ratio case. This resulted in system cost of energy reductions moving from the 80~m/s design to the 100~m/s designs of 1.2% for the low tip-speed ratio, 4.6% for the high tip-speed ratio, and 9.5% for the final flexible case (the latter result is optimistic because the impact of deflection of the flexible blade on power production was not modeled). Overall, the results demonstrate that there is a trade-off in system design between the maximum tip velocity and the overall wind plant cost of energy, and there are many trade-offs within the overall system in designing a turbine for a high maximum tip velocity.

CPAP Tips

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Full Text Available ... now Try it free Find out why Close CPAP Tips from FDA USFoodandDrugAdmin Loading... Unsubscribe from USFoodandDrugAdmin? ... apnea and use a continuous positive airway pressure (CPAP) device when sleeping? Here are some tips from ...

Modeling of electrodes and implantable pulse generator cases for the analysis of implant tip heating under MR imaging

International Nuclear Information System (INIS)

Acikel, Volkan; Atalar, Ergin; Uslubas, Ali

2015-01-01

the proposed lumped circuit models. These results were compared with those from the MoM simulations. The mean square error was less than 9%. During the MRI experiments, when the IPG case was introduced, the resonance lengths were calculated to have an error less than 13%. Also the change in tip temperature rise at resonance lengths was predicted with less than 4% error. For the electrode experiments, the value of the matching impedance was predicted with an error less than 1%. Conclusions: Electrical models for the IPG case and electrode are suggested, and the method is proposed to determine the parameter values. The concept of matching of the electrode to the lead is clarified using the defined electrode impedance and the lead Thevenin impedance. The effect of the IPG case and electrode on tip heating can be predicted using the proposed theory. With these models, understanding the tissue heating due to the implants becomes easier. Also, these models are beneficial for implant safety testers and designers. Using these models, worst case conditions can be determined and the corresponding implant test experiments can be planned

A novel method for accurate needle-tip identification in trans-rectal ultrasound-based high-dose-rate prostate brachytherapy.

Science.gov (United States)

Zheng, Dandan; Todor, Dorin A

2011-01-01

In real-time trans-rectal ultrasound (TRUS)-based high-dose-rate prostate brachytherapy, the accurate identification of needle-tip position is critical for treatment planning and delivery. Currently, needle-tip identification on ultrasound images can be subject to large uncertainty and errors because of ultrasound image quality and imaging artifacts. To address this problem, we developed a method based on physical measurements with simple and practical implementation to improve the accuracy and robustness of needle-tip identification. Our method uses measurements of the residual needle length and an off-line pre-established coordinate transformation factor, to calculate the needle-tip position on the TRUS images. The transformation factor was established through a one-time systematic set of measurements of the probe and template holder positions, applicable to all patients. To compare the accuracy and robustness of the proposed method and the conventional method (ultrasound detection), based on the gold-standard X-ray fluoroscopy, extensive measurements were conducted in water and gel phantoms. In water phantom, our method showed an average tip-detection accuracy of 0.7 mm compared with 1.6 mm of the conventional method. In gel phantom (more realistic and tissue-like), our method maintained its level of accuracy while the uncertainty of the conventional method was 3.4mm on average with maximum values of over 10mm because of imaging artifacts. A novel method based on simple physical measurements was developed to accurately detect the needle-tip position for TRUS-based high-dose-rate prostate brachytherapy. The method demonstrated much improved accuracy and robustness over the conventional method. Copyright © 2011 American Brachytherapy Society. Published by Elsevier Inc. All rights reserved.

Water-rock interactions and the pH stability of groundwater from Yucca Mountain, Nevada

International Nuclear Information System (INIS)

Ebinger, M.H.

1992-01-01

Titrations of acidic solutions in waters from the tuff and carbonate aquifers at Yucca Mountain were simulated using the geochemical codes PHREEQE and EQ3/6. The simulations tested pH stability of the waters in the presence of different minerals and in their absence. Two acidic solutions, 10 -4 HCl and 10 -4 M UO 2 (NO 3 ) 2 , were titrated in to the water. Little pH and/or compositional change resulted in the groundwater when the HCl solution was titrated, but significant pH and CO 2 fugacity changes were observed when UO 2 (NO 3 ) 2 was titrated. Water interactions with alkali feldspar, quartz or cristobalite, and Ca-smectite buffered the pH and compositional changes in the carbonate water and decreased the magnitude of pH and compositional changes when small volumes of UO 2 (NO 3 ) 2 added to the tuffaceous waters

ZBrush Professional Tips and Techniques

CERN Document Server

Gaboury, Paul

2012-01-01

Learn to work effectively and creatively with all versions of ZBrush! ZBrush is used by top artists in Hollywood to model and sculpt characters in such films as Avatar, Iron Man, and Pirates of the Caribbean. In addition, this amazing technology is also used in jewelry design, forensic science, aerospace, video games, toy creation, and the medical field. Written by Pixologic's in-house ZBrush expert Paul Gaboury, this full-color, beautifully illustrated guide provides you with the ultimate tips and tricks to maximize your use of all versions of ZBrush. Reveals numerous little-known tips and tr

Tipping Point

Medline Plus

Full Text Available ... 60 Seconds of Safety (Videos) > The Tipping Point The Tipping Point by CPSC Blogger September 22, 2009 appliance child Childproofing CPSC danger death electrical fall furniture head injury product safety television tipover tv Watch the video in Adobe Flash ...

Population inversion and gain calculations for 4p54d-4p55p and 4p55s - 4p55p Kr-like transitions in Y IV, Zr V, Nb VI and Mo VII

International Nuclear Information System (INIS)

Fournier, K.B.; Goldstein, W.H.; Stutman, D.; Finkenthal, M.; Soukhanovskii, V.; May, M.J.

1999-01-01

We present calculations of the quasi-steady state gain coefficient for the 4p 5 4d 1 P-4p 5 5p 1/2[1/2] 0 transition in Kr-like Y IV, Zr V, Nb VI and Mo VII ions. Gain coefficients which can lead to FUV-VUV (∝260 to 60 nm) lasing are found in all ions. Large gain coefficients are found for each ion at temperatures in excess of the ion's equilibrium temperature; realizing lasing in these systems will require a transient excitation mechanism. The density at which the maximal gain coefficient obtains increases for increasing ionization state. The 4p 5 5s 1/2[1/2] 1 -4p 5 5p 1/2[1/2] 0 and 4p 5 5s 3/2[3/2] 1 -4p 5 5p 1/2[1/2] 0 transitions also show population inversion and modest gain coefficients. Attractive features of these ions as potential lasents are the large ratio between the energy of the lasing transition and the excitation energy of the upper level of the lasing transition as well as the case with which they are produced in a low temperature, table-top scale plasma source. (orig.)

Effects of bromine on mitosis in root-tips of Allium cepa

Energy Technology Data Exchange (ETDEWEB)

Chury, J; Slouka, V

1949-01-01

The root-tips of Allium cepa, 1.5-2 cm. long, were exposed to pure bromine vapor for five minutes. The root-tips were then washed for ten minutes in water, and kept in fresh-water at a temperature of 20-24/sup 0/C. Squash preparations were made and stained according to the method of Darlington and La Cour. Bromine acting for five minutes on the root-tips of Allium has a specific effect on the cell nucleus in the resting stage. The effects induced are shown thirty-six hours after treatment by spindle abnormalities in metaphase and anaphase, and result in polyploidy in a large number of cells. Bromine produces chromosome and chromatid fragmentation; the latter may be followed by reunion. The effect of the bromine is cumulative and depends on the time which elapses between treatment and fixation. The cytological effects induced by bromine strongly suggest that it is another specific mutafacient chemical.

Water Distribution and Removal Model

International Nuclear Information System (INIS)

Y. Deng; N. Chipman; E.L. Hardin

2005-01-01

The design of the Yucca Mountain high level radioactive waste repository depends on the performance of the engineered barrier system (EBS). To support the total system performance assessment (TSPA), the Engineered Barrier System Degradation, Flow, and Transport Process Model Report (EBS PMR) is developed to describe the thermal, mechanical, chemical, hydrological, biological, and radionuclide transport processes within the emplacement drifts, which includes the following major analysis/model reports (AMRs): (1) EBS Water Distribution and Removal (WD and R) Model; (2) EBS Physical and Chemical Environment (P and CE) Model; (3) EBS Radionuclide Transport (EBS RNT) Model; and (4) EBS Multiscale Thermohydrologic (TH) Model. Technical information, including data, analyses, models, software, and supporting documents will be provided to defend the applicability of these models for their intended purpose of evaluating the postclosure performance of the Yucca Mountain repository system. The WD and R model ARM is important to the site recommendation. Water distribution and removal represents one component of the overall EBS. Under some conditions, liquid water will seep into emplacement drifts through fractures in the host rock and move generally downward, potentially contacting waste packages. After waste packages are breached by corrosion, some of this seepage water will contact the waste, dissolve or suspend radionuclides, and ultimately carry radionuclides through the EBS to the near-field host rock. Lateral diversion of liquid water within the drift will occur at the inner drift surface, and more significantly from the operation of engineered structures such as drip shields and the outer surface of waste packages. If most of the seepage flux can be diverted laterally and removed from the drifts before contacting the wastes, the release of radionuclides from the EBS can be controlled, resulting in a proportional reduction in dose release at the accessible environment

Water Distribution and Removal Model

Energy Technology Data Exchange (ETDEWEB)

Y. Deng; N. Chipman; E.L. Hardin

2005-08-26

The design of the Yucca Mountain high level radioactive waste repository depends on the performance of the engineered barrier system (EBS). To support the total system performance assessment (TSPA), the Engineered Barrier System Degradation, Flow, and Transport Process Model Report (EBS PMR) is developed to describe the thermal, mechanical, chemical, hydrological, biological, and radionuclide transport processes within the emplacement drifts, which includes the following major analysis/model reports (AMRs): (1) EBS Water Distribution and Removal (WD&R) Model; (2) EBS Physical and Chemical Environment (P&CE) Model; (3) EBS Radionuclide Transport (EBS RNT) Model; and (4) EBS Multiscale Thermohydrologic (TH) Model. Technical information, including data, analyses, models, software, and supporting documents will be provided to defend the applicability of these models for their intended purpose of evaluating the postclosure performance of the Yucca Mountain repository system. The WD&R model ARM is important to the site recommendation. Water distribution and removal represents one component of the overall EBS. Under some conditions, liquid water will seep into emplacement drifts through fractures in the host rock and move generally downward, potentially contacting waste packages. After waste packages are breached by corrosion, some of this seepage water will contact the waste, dissolve or suspend radionuclides, and ultimately carry radionuclides through the EBS to the near-field host rock. Lateral diversion of liquid water within the drift will occur at the inner drift surface, and more significantly from the operation of engineered structures such as drip shields and the outer surface of waste packages. If most of the seepage flux can be diverted laterally and removed from the drifts before contacting the wastes, the release of radionuclides from the EBS can be controlled, resulting in a proportional reduction in dose release at the accessible environment. The purposes

Evaluation of Karl Storz CMAC TipTM Device Versus Traditional Airway Suction in a Cadaver Model

Directory of Open Access Journals (Sweden)

Demis N. Lipe

2014-07-01

Full Text Available Introduction: We compared the efficacy of Karl Storz CMAC TipTM with inline suction to CMAC with traditional suction device in cadaveric models simulating difficult airways, using media mimicking pulmonary edema and vomit. Methods: This was a prospective, cohort study in which we invited emergency medicine faculty and residents to participate. Each participant intubated 2 cadavers (one with simulated pulmonary edema and one with simulated vomit, using CMAC with inline suction and CMAC with traditional suction. Thirty emergency medicine providers performed 4 total intubations each in a crossover trial comparing the CMAC with inline suction and CMAC with traditional suction. Two intubations were performed with simulated vomit and two with simulated pulmonary edema. The primary outcome was time to successful intubation; and the secondary outcome was proportion of successful intubation. Results: The median time to successful intubation using the CMAC with inline suction versus traditional suction in the pulmonary edema group was 29s and 30s respectively (p=0.54. In the vomit simulation, the median time to successful intubation was 40s using the CMAC with inline suction and 41s using the CMAC with traditional suction (p=0.70. There were no significant differences in time to successful intubation between the 2 devices. Similarly, the proportions of successful intubation were also not statistically significant between the 2 devices. The proportions of successful intubations using the inline suction were 96.7% and 73.3%, for the pulmonary edema and vomit groups, respectively. Additionally using the handheld suction device, the proportions for the pulmonary edema and vomit group were 100% and 66.7%, respectively. Conclusion: CMAC with inline suction was no different than CMAC with traditional suction and was associated with no statistically significant differences in median time to intubation or proportion of successful intubations. [West J Emerg Med

Effect of tip geometry on photo-electron-emission from nanostructures.

Science.gov (United States)

Teki, Ranganath; Lu, Toh-Ming; Koratkar, Nikhil

2009-03-01

We show in this paper the strong effect of tip geometry on the photo-electron-emission behavior of nanostructured surfaces. To study the effect of tip geometry we compared the photo-emissivity of Ru and Pt nanorods with pyramidal shaped tips to that of carbon nanorods that display flat top (planar) tips. Flat top architectures gave no significant increase in the emission current, while nanostructures with pyramidal shaped tips showed 3-4 fold increase in photo-emission compared to a thin film of the same material. Pyramidal tip geometries increase the effective surface area that is exposed to the incident photon-flux thereby enhancing the photon-collection probability of the system. Such nano-structured surfaces show promise in a variety of device applications such as photo-detectors, photon counters and photo-multiplier tubes.

Prediction of pure water stress corrosion cracking (PWSCC) in nickel base alloys using crack growth rate models

International Nuclear Information System (INIS)

Thompson, C.D.; Krasodomski, H.T.; Lewis, N.; Makar, G.L.

1995-01-01

The Ford/Andresen slip dissolution SCC model, originally developed for stainless steel components in BWR environments, has been applied to Alloy 600 and Alloy X-750 tested in deaerated pure water chemistry. A method is described whereby the crack growth rates measured in compact tension specimens can be used to estimate crack growth in a component. Good agreement was found between model prediction and measured SCC in X-750 threaded fasteners over a wide range of temperatures, stresses, and material condition. Most data support the basic assumption of this model that cracks initiate early in life. The evidence supporting a particular SCC mechanism is mixed. Electrochemical repassivation data and estimates of oxide fracture strain indicate that the slip dissolution model can account for the observed crack growth rates, provided primary rather than secondary creep rates are used. However, approximately 100 cross-sectional TEM foils of SCC cracks including crack tips reveal no evidence of enhanced plasticity or unique dislocation patterns at the crack tip or along the crack to support a classic slip dissolution mechanism. No voids, hydrides, or microcracks are found in the vicinity of the crack tips creating doubt about classic hydrogen related mechanisms. The bulk oxide films exhibit a surface oxide which is often different than the oxides found within a crack. Although bulk chromium concentration affects the rate of SCC, analytical data indicates the mechanism does not result from chromium depletion at the grain boundaries. The overall findings support a corrosion/dissolution mechanism but not one necessarily related to slip at the crack tip

Kaplan turbine tip vortex cavitation - analysis and prevention

Science.gov (United States)

Motycak, L.; Skotak, A.; Kupcik, R.

2012-11-01

The work is focused on one type of Kaplan turbine runner cavitation - a tip vortex cavitation. For detailed description of the tip vortex, the CFD analysis is used. On the basis of this analysis it is possible to estimate the intensity of cavitating vortex core, danger of possible blade surface and runner chamber cavitation pitting. In the paper, the ways how to avoid the pitting effect of the tip vortex are described. In order to prevent the blade surface against pitting, the following possibilities as the change of geometry of the runner blade, dimension of tip clearance and finally the installation of the anti-cavitation lips are discussed. The knowledge of the shape and intensity of the tip vortex helps to design the anti-cavitation lips more sophistically. After all, the results of the model tests of the Kaplan runner with or without anti-cavitation lips and the results of the CFD analysis are compared.

Thermophysical properties of supercritical water and bond flexibility.

Science.gov (United States)

Shvab, I; Sadus, Richard J

2015-07-01

Molecular dynamics results are reported for the thermodynamic properties of supercritical water using examples of both rigid (TIP4P/2005) and flexible (TIP4P/2005f) transferable interaction potentials. Data are reported for pressure, isochoric and isobaric heat capacities, the thermal expansion coefficient, isothermal and adiabatic compressibilities, Joule-Thomson coefficient, speed of sound, self-diffusion coefficient, viscosities, and thermal conductivity. Many of these properties have unusual behavior in the supercritical phase such as maximum and minimum values. The effectiveness of bond flexibility on predicting these properties is determined by comparing the results to experimental data. The influence of the intermolecular potential on these properties is both variable and state point dependent. In the vicinity of the critical density, the rigid and flexible potentials yield very different values for the compressibilities, heat capacities, and thermal expansion coefficient, whereas the self-diffusion coefficient, viscosities, and thermal conductivities are much less potential dependent. Although the introduction of bond flexibility is a computationally expedient way to improve the accuracy of an intermolecular potential, it can be counterproductive in some cases and it is not an adequate replacement for incorporating the effects of polarization.

Twelve tips for "flipping" the classroom.

Science.gov (United States)

Moffett, Jennifer

2015-04-01

The flipped classroom is a pedagogical model in which the typical lecture and homework elements of a course are reversed. The following tips outline the steps involved in making a successful transition to a flipped classroom approach. The tips are based on the available literature alongside the author's experience of using the approach in a medical education setting. Flipping a classroom has a number of potential benefits, for example increased educator-student interaction, but must be planned and implemented carefully to support effective learning.

Graded-index fiber tip optical tweezers: numerical simulation and trapping experiment.

Science.gov (United States)

Gong, Yuan; Ye, Ai-Yan; Wu, Yu; Rao, Yun-Jiang; Yao, Yao; Xiao, Song

2013-07-01

Optical fiber tweezers based on a graded-index multimode fiber (GIMMF) tip is proposed. Light propagation characteristics and gradient force distribution near the GIMMF tip are numerically investigated, which are further compared with that of optical fiber tips based on conventional single mode fibers. The simulated results indicated that by selecting optimal GIMMF length, the gradient force of the GIMMF tip tweezers is about 4 times higher than that of the SMF tip tweezers with a same shape. To prove the feasibility of such a new concept, optical trapping of yeast cells with a diameter of ~5 μm using the chemically-etched GIMMF tip is experimentally demonstrated and the trapping force is also calculated.

Effect of surface water on tritium release behavior from Li4SiO4

International Nuclear Information System (INIS)

Hanada, T.; Fukada, S.; Nishikawa, M.; Suematsu, K.; Yamashita, N.; Kanazawa, T.

2010-01-01

The tritium release model to represent the release behavior of bred tritium from solid breeder materials has been developed by the blanket group of Kyushu University. It has been found that water is released to the purge gas from solid breeder materials and that this water affects the tritium release behavior. In this study, the amount of surface water released from Li 4 SiO 4 is quantified by the experiment. In addition, the tritium release behavior from Li 4 SiO 4 are estimated based on the tritium release model using parameters obtained in our studies under conditions of commercial reactor operation and ITER test blanket module operation. The effect of the surface water on tritium release behavior is discussed from the obtained results. Moreover, the tritium inventory of Li 4 SiO 4 is discussed based on calculation under the unsteady state condition. Further, the effects of grain size and temperature on distribution of tritium inventory under the steady state condition are evaluated, and the optimal grain size is discussed from the view point of tritium release from Li 4 SiO 4 .

Exposure to the Tips From Former Smokers Campaign Among Adolescents in the United States.

Science.gov (United States)

Zhao, Xiaoquan; Cai, Xiaomei

2016-05-01

Evaluation of the Tips from Former Smokers (Tips) campaign in the United States so far has focused exclusively on adult smokers. This study provides evidence on the level of exposure to Tips among adolescents in the United States, an important secondary audience for the campaign. Data came from the 2013 National Youth Tobacco Survey (N = 18 406). Exposure to Tips was measured by ad recall. Characteristics of adolescents reporting exposure versus no exposure were examined through a series of bivariate analysis linking exposure to smoking status, demographics, and important risk factors. Most adolescents in the United States (63%, 95% confidence interval [CI] = 60.6%, 65.3%) were exposed to at least one Tips ad. Current smokers (70.6%, 95% CI = 67.7%, 73.4%), noncurrent smokers (67.7%, 95% CI = 65.5%, 69.7%), and high-risk never-smokers (63.8%, 95% CI = 60.2%, 67.2%) reported greater exposure than low-risk never-smokers (60.7%, 95% CI = 57.8%, 63.5%; all P advertising from one or more sources; and have skipped classes in the past 30 days. Tips has significant reach among adolescents in the United States, particularly among those with smoking experience and those whose life environments include more pro-smoking influences. Close monitoring of the Tips' impact on this important population is needed. This study shows substantial adolescent awareness of the Tips campaign in the United States. This evidence has important implications for the comprehensive evaluation of the public health impact of Tips. So far research on Tips has focused almost entirely on adult smokers. Findings of this study suggest that the potential impact of Tips on adolescents, particularly those at high risk of smoking, should become an integral part of the evaluation research agenda. © The Author 2015. Published by Oxford University Press on behalf of the Society for Research on Nicotine and Tobacco. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Numerical analysis of turbine blade tip treatments

Science.gov (United States)

Gopalaswamy, Nath S.; Whitaker, Kevin W.

1992-01-01

Three-dimensional solutions of the Navier-Stokes equations for a turbine blade with a turning angle of 180 degrees have been computed, including blade tip treatments involving cavities. The geometry approximates a preliminary design for the GGOT (Generic Gas Oxidizer Turbine). The data presented here will be compared with experimental data to be obtained from a linear cascade using original GGOT blades. Results have been computed for a blade with 1 percent clearance, based on chord, and three different cavity sizes. All tests were conducted at a Reynolds number of 4 x 10 exp 7. The grid contains 39,440 points with 10 spanwise planes in the tip clearance region of 5.008E-04 m. Streamline plots and velocity vectors together with velocity divergence plots reveal the general flow behavior in the clearance region. Blade tip temperature calculations suggest placement of a cavity close to the upstream side of the blade tip for reduction of overall blade tip temperature. The solutions do not account for the relative motion between the endwall and the turbine blade. The solutions obtained are generally consistent with previous work done in this area,

Nanobits: customizable scanning probe tips

DEFF Research Database (Denmark)

Kumar, Rajendra; Shaik, Hassan Uddin; Sardan Sukas, Özlem

2009-01-01

We present here a proof-of-principle study of scanning probe tips defined by planar nanolithography and integrated with AFM probes using nanomanipulation. The so-called 'nanobits' are 2-4 mu m long and 120-150 nm thin flakes of Si3N4 or SiO2, fabricated by electron beam lithography and standard s...

Parallel Changes in Intracellular Water Volume and pH Induced by NH3/NH4+ Exposure in Single Neuroblastoma Cells

Directory of Open Access Journals (Sweden)

Víctor M. Blanco

2013-12-01

Full Text Available Background: Increased blood levels of ammonia (NH3 and ammonium (NH4+, i.e. hyperammonemia, leads to cellular brain edema in humans with acute liver failure. The pathophysiology of this edema is poorly understood. This is partly due to incomplete understanding of the osmotic effects of the pair NH3/NH4+ at the cellular and molecular levels. Cell exposure to solutions containing NH3/NH4+ elicits changes in intracellular pH (pHi, which can in turn affect cell water volume (CWV by activating transport mechanisms that produce net gain or loss of solutes and water. The occurrence of CWV changes caused by NH3/NH4+ has long been suspected, but the mechanisms, magnitude and kinetics of these changes remain unknown. Methods: Using fluorescence imaging microscopy we measured, in real time, parallel changes in pHi and CWV caused by brief exposure to NH3/NH4+ of single cells (N1E-115 neuroblastoma or NG-108 neuroblastoma X glioma loaded with the fluorescent indicator BCECF. Changes in CWV were measured by exciting BCECF at its intracellular isosbestic wavelength (∼438 nm, and pHi was measured ratiometrically. Results: Brief exposure to isosmotic solutions (i.e. having the same osmolality as that of control solutions containing NH4Cl (0.5- 30 mM resulted in a rapid, dose-dependent swelling, followed by isosmotic regulatory volume decrease (iRVD. NH4Cl solutions in which either extracellular [NH3] or [NH4+] was kept constant while the other was changed by varying the pH of the solution, demonstrated that [NH3]o rather than [NH4+]o is the main determinant of the NH4Cl-induced swelling. The iRVD response was sensitive to the anion channel blocker NPPB, and partly dependent on external Ca2+. Upon removal of NH4Cl, cells shrank and displayed isosmotic regulatory volume increase (iRVI. Regulatory volume responses could not be activated by comparable CWV changes produced by anisosmotic solutions, suggesting that membrane stretch or contraction by themselves are

Four Medication Safety Tips for Older Adults

Science.gov (United States)

... Products For Consumers Home For Consumers Consumer Updates 4 Medication Safety Tips for Older Adults Share Tweet ... you are experiencing could be due to medications. 4. Review Medications with Your Health Care Provider Ideally, ...

Measurement of pH, alkalinity and acidity in ultra-soft waters

African Journals Online (AJOL)

drinie

2001-10-04

Oct 4, 2001 ... A blend composed of the raw water, sodium chloride (to increase conductivity), and standard bicarbonate (to increase buffering capacity) was titrated with standard strong acid in two pH regions: 6.3 pH < 4.0. In both methods, total alkalinity was determined using the latter set of points, ...

Tip-induced nanoreactor for silicate

Science.gov (United States)

Gao, Ming; Ma, Liran; Liang, Yong; Gao, Yuan; Luo, Jianbin

2015-09-01

Nanoscale scientific issues have attracted an increasing amount of research interest due to their specific size-effect and novel structure-property. From macro to nano, materials present some unique chemical reactivity that bulk materials do not own. Here we introduce a facile method to generate silicate with nanoscale control based on the establishment of a confined space between a meso/nanoscale tungsten tip and a smooth silica/silicon substrate. During the process, local water-like droplets deposition can be obviously observed in the confinement between the Si/SiO2 surfaces and the KOH-modified tungsten tip. By the combination of in-situ optical microscopy and Raman spectroscopy, we were able to take a deep insight of both the product composition and the underlying mechanism of such phenomena. It was indicated that such nanoreactor for silicate could be quite efficient as a result of the local capillarity and electric field effect, with implications at both nano and meso scales.

Sensitive Detection of Small Particles in Fluids Using Optical Fiber Tip with Dielectrophoresis

Directory of Open Access Journals (Sweden)

Yi-Hsin Tai

2016-02-01

Full Text Available This work presents using a tapered fiber tip coated with thin metallic film to detect small particles in water with high sensitivity. When an AC voltage applied to the Ti/Al coated fiber tip and indium tin oxide (ITO substrate, a gradient electric field at the fiber tip induced attractive/repulsive force to suspended small particles due to the frequency-dependent dielectrophoresis (DEP effect. Such DEP force greatly enhanced the concentration of the small particles near the tip. The increase of the local concentration also increased the scattering of surface plasmon wave near the fiber tip. Combined both DEP effect and scattering optical near-field, we show the detection limit of the concentration for 1.36 μm polystyrene beads can be down to 1 particle/mL. The detection limit of the Escherichia coli (E. coli bacteria was 20 CFU/mL. The fiber tip sensor takes advantages of ultrasmall volume, label-free and simple detection system.

Large-space cluster model calculations for the 3He(3He,2p)4He and 3H(3H,2n)4He reactions

International Nuclear Information System (INIS)

Csoto, Attila; Langanke, Karlheinz

1999-01-01

The 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He reactions are studied in a microscopic cluster model. We search for resonances in the 3 He+ 3 He and 4 He + p + p channels using methods that treat the two- and three-body resonance asymptotics correctly. Our results show that the existence of a low-energy resonance or virtual state, which could influence the 7 Be and 8 B solar neutrino fluxes, is rather unlikely. Our calculated 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He cross sections are in a good general agreement with the experimental data

On short cracks that depart from elastoplastic notch tips

Directory of Open Access Journals (Sweden)

Verônica Miquelin Machado

2017-07-01

Full Text Available The behavior of short cracks that depart from elastoplastic notch tips is modeled to estimate the stresses required to initiate and to propagate cracks in notched structural components, and to evaluate the size of tolerable crack-like defects under general loading conditions. This analysis can model both fatigue and environmentally assisted cracking problems; can evaluate notch sensitivity in both cases; and can as well be used to establish design or acceptance criteria for tolerable non-propagating crack-like defects in such cases. The growth of short cracks is assumed driven by the applied stresses and by the stress gradient ahead the notch tip, and supported by the material resistances to crack initiation and to long crack propagation by fatigue or EAC. In the elastoplastic case, the stress gradient ahead of the notch tip is quantified by a J-field to consider the short crack behavior. The tolerable short crack predictions made by this model are evaluated by suitable fatigue and EAC tests of notched specimens specially designed to start nonpropagating cracks from the notch tips, both under elastic and elastoplastic conditions.

Technology Tips

Science.gov (United States)

Mathematics Teacher, 2004

2004-01-01

Some inexpensive or free ways that enable to capture and use images in work are mentioned. The first tip demonstrates the methods of using some of the built-in capabilities of the Macintosh and Windows-based PC operating systems, and the second tip describes methods to capture and create images using SnagIt.

Copper Selenidophosphates Cu4P2Se6, Cu4P3Se4, Cu4P4Se3, and CuP2Se, Featuring Zero-, One-, and Two-Dimensional Anions.

Science.gov (United States)

Kuhn, Alexander; Schoop, Leslie M; Eger, Roland; Moudrakovski, Igor; Schwarzmüller, Stefan; Duppel, Viola; Kremer, Reinhard K; Oeckler, Oliver; Lotsch, Bettina V

2016-08-15

Five new compounds in the Cu/P/Se phase diagram have been synthesized, and their crystal structures have been determined. The crystal structures of these compounds comprise four previously unreported zero-, one-, and two-dimensional selenidophosphate anions containing low-valent phosphorus. In addition to two new modifications of Cu4P2Se6 featuring the well-known hexaselenidohypodiphosphate(IV) ion, there are three copper selenidophosphates with low-valent P: Cu4P3Se4 contains two different new anions, (i) a monomeric (zero-dimensional) selenidophosphate anion [P2Se4](4-) and (ii) a one-dimensional selenidophosphate anion [Formula: see text], which is related to the well-known gray-Se-like [Formula: see text] Zintl anion. Cu4P4Se3 contains one-dimensional [Formula: see text] polyanions, whereas CuP2Se contains the 2D selenidophosphate [Formula: see text] polyanion. It consists of charge-neutral CuP2Se layers separated by a van der Waals gap which is very rare for a Zintl-type phase. Hence, besides black P, CuP2Se constitutes a new possible source of 2D oxidized phosphorus containing layers for intercalation or exfoliation experiments. Additionally, the electronic structures and some fundamental physical properties of the new compounds are reported. All compounds are semiconducting with indirect band gaps of the orders of around 1 eV. The phases reported here add to the structural diversity of chalcogenido phosphates. The structural variety of this family of compounds may translate into a variety of tunable physical properties.

Modulating p56Lck in T-Cells by a Chimeric Peptide Comprising Two Functionally Different Motifs of Tip from Herpesvirus saimiri

Directory of Open Access Journals (Sweden)

Jean-Paul Vernot

2015-01-01

Full Text Available The Lck interacting protein Tip of Herpesvirus saimiri is responsible for T-cell transformation both in vitro and in vivo. Here we designed the chimeric peptide hTip-CSKH, comprising the Lck specific interacting motif CSKH of Tip and its hydrophobic transmembrane sequence (hTip, the latter as a vector targeting lipid rafts. We found that hTip-CSKH can induce a fivefold increase in proliferation of human and Aotus sp. T-cells. Costimulation with PMA did not enhance this proliferation rate, suggesting that hTip-CSKH is sufficient and independent of further PKC stimulation. We also found that human Lck phosphorylation was increased earlier after stimulation when T-cells were incubated previously with hTip-CSKH, supporting a strong signalling and proliferative effect of the chimeric peptide. Additionally, Lck downstream signalling was evident with hTip-CSKH but not with control peptides. Importantly, hTip-CSKH could be identified in heavy lipid rafts membrane fractions, a compartment where important T-cell signalling molecules (LAT, Ras, and Lck are present during T-cell activation. Interestingly, hTip-CSKH was inhibitory to Jurkat cells, in total agreement with the different signalling pathways and activation requirements of this leukemic cell line. These results provide the basis for the development of new compounds capable of modulating therapeutic targets present in lipid rafts.

Modulating p56Lck in T-Cells by a Chimeric Peptide Comprising Two Functionally Different Motifs of Tip from Herpesvirus saimiri.

Science.gov (United States)

Vernot, Jean-Paul; Perdomo-Arciniegas, Ana María; Pérez-Quintero, Luis Alberto; Martínez, Diego Fernando

2015-01-01

The Lck interacting protein Tip of Herpesvirus saimiri is responsible for T-cell transformation both in vitro and in vivo. Here we designed the chimeric peptide hTip-CSKH, comprising the Lck specific interacting motif CSKH of Tip and its hydrophobic transmembrane sequence (hTip), the latter as a vector targeting lipid rafts. We found that hTip-CSKH can induce a fivefold increase in proliferation of human and Aotus sp. T-cells. Costimulation with PMA did not enhance this proliferation rate, suggesting that hTip-CSKH is sufficient and independent of further PKC stimulation. We also found that human Lck phosphorylation was increased earlier after stimulation when T-cells were incubated previously with hTip-CSKH, supporting a strong signalling and proliferative effect of the chimeric peptide. Additionally, Lck downstream signalling was evident with hTip-CSKH but not with control peptides. Importantly, hTip-CSKH could be identified in heavy lipid rafts membrane fractions, a compartment where important T-cell signalling molecules (LAT, Ras, and Lck) are present during T-cell activation. Interestingly, hTip-CSKH was inhibitory to Jurkat cells, in total agreement with the different signalling pathways and activation requirements of this leukemic cell line. These results provide the basis for the development of new compounds capable of modulating therapeutic targets present in lipid rafts.

Effects of irradiation on physicochemical and sensory qualities of fermented shoot tip of sweet potato

International Nuclear Information System (INIS)

Cui Li; Liu Chunquan; Li Dajing; Song Jiangfeng; Jiang Ning; Liu Chunju; Wu Haihong; Zhu Danyu

2011-01-01

The effect of irradiation on sensory quality, physicochemical and functional prosperities of fermented shoot tips of sweet potatoes were studied. The results showed that total content of free amino acids in fermented shoot tips of sweet potato were not influenced at 4 kGy irradiation, but increased at 6 kGy. Total content of organic acids in shoot tips were not influenced by 2 ∼ 6 kGy of irradiation. The total viable cells of the tips was reduced from 7.35 to 4.67 log CFU/g at 2 kGy irradiation, and no growth of total viable cells was observed at 4 and 6 kGy irradiated fermented shoot tips. It is recommended that 4 kGy was the endurance irradiation dose for fermented shoot tips of sweet potato to ensure the maximum retention of taste quality and health-relevant functionality. (authors)

Aerodynamic performance of winglets covering the tip gap inlet in a turbine cascade

International Nuclear Information System (INIS)

Lee, Sang Woo; Kim, Seon Ung; Kim, Kyoung Hoon

2012-01-01

Highlights: ► We test aerodynamics of PS and LEPS winglets for three winglet widths. ► PS winglet reduces tip leakage loss but increases loss in the passage vortex region. ► Mass-averaged loss reductions by PS and LEPS winglets are marginal. ► The loss reductions are much smaller than that by a cavity squealer tip. - Abstract: The aerodynamic performance of two different kinds of winglets covering the tip gap inlet of a plane tip, a “pressure-side” (PS) winglet and a “leading-edge and pressure-side” (LEPS) winglet, has been investigated in a turbine cascade. For a tip gap height-to-chord ratio of h/c = 2.0%, their width-to-pitch ratio is changed to be w/p = 2.64, 5.28, and 10.55%. The PS winglet reduces aerodynamic loss in the tip leakage vortex region as well as in an area downstream of the winglet-pressure surface corner, whereas it increases aerodynamic loss in the central area of the passage vortex region. The additional leading-edge winglet portion of the LEPS winglet reduces aerodynamic loss considerably on the casing wall side of the passage vortex region but delivers a noticeable aerodynamic loss increase on its mid-span side. These local trends are deepened with increasing w/p. However, the mass-averaged aerodynamic loss reductions by installing the PS and LEPS winglets in comparison with the baseline no winglet data are only marginal even for w/p = 10.55% and found much smaller than that by employing a cavity squealer tip.

Dsl1p, Tip20p, and the novel Dsl3(Sec39) protein are required for the stability of the Q/t-SNARE complex at the endoplasmic reticulum in yeast

DEFF Research Database (Denmark)

Kraynack, Bryan A; Chan, Angela; Rosenthal, Eva Helga

2005-01-01

The "Dsl1p complex" in Saccharomyces cerevisiae, consisting of Dsl1p and Tip20p, is involved in Golgi-ER retrograde transport and it is functionally conserved from yeast to mammalian cells. To further characterize this complex, we analyzed the function of Dsl3p, a protein that interacts with Dsl1p...... in yeast two hybrids screens. DSL3, recently identified in a genome wide analysis of essential genes as SEC39, encodes a cytosolic protein of 82 kDa that is peripherally associated with membranes derived from the ER. There is strong genetic interaction between DSL3 and other factors required for Golgi...

Structural and dynamical properties of water confined between two hydrophilic surfaces

Energy Technology Data Exchange (ETDEWEB)

Di Napoli, Solange, E-mail: dinapoli@tandar.cnea.gov.a [Depto. de Fisica - CAC, Comision Nacional de Energia Atomica, Av. Gral Paz 1499, (1650) San Martin, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Gamba, Zulema, E-mail: gamba@tandar.cnea.gov.a [Depto. de Fisica - CAC, Comision Nacional de Energia Atomica, Av. Gral Paz 1499, (1650) San Martin, Buenos Aires (Argentina)

2009-10-01

The properties of water in the vicinity of surfaces and under confinement have been extensively studied because of the relevance of a quantitative understanding of many processes that not only take place in biological systems, like cells, membranes and microemulsions, but also in many others such as confined water in rocks, ionic channels and interestellar matter. In this work we perform molecular dynamic calculations of the nanoscopic structure of TIP5P model water confined between two hydrophilic surfaces. We calculate the diffusion coefficients and the atomic density profile of water molecules and polar ions in the system as a function of the number of water molecules per amphiphilic (n{sub W}). We also study the dependence of the water layer thickness and the profiles of water dipole orientation with this parameter.

Structural and dynamical properties of water confined between two hydrophilic surfaces

International Nuclear Information System (INIS)

Di Napoli, Solange; Gamba, Zulema

2009-01-01

The properties of water in the vicinity of surfaces and under confinement have been extensively studied because of the relevance of a quantitative understanding of many processes that not only take place in biological systems, like cells, membranes and microemulsions, but also in many others such as confined water in rocks, ionic channels and interestellar matter. In this work we perform molecular dynamic calculations of the nanoscopic structure of TIP5P model water confined between two hydrophilic surfaces. We calculate the diffusion coefficients and the atomic density profile of water molecules and polar ions in the system as a function of the number of water molecules per amphiphilic (n W ). We also study the dependence of the water layer thickness and the profiles of water dipole orientation with this parameter.

Study of p-4He Total Reaction cross section using Glauber and Modified Glauber Models

International Nuclear Information System (INIS)

Tag El Din, I.M.A.; Taha, M.M.; Hassan, S.S.A.

2012-01-01

The total nuclear reaction cross-section for p - 4 He in the energy range from 25 to 1000 MeV is calculated within Glauber and modified Glauber models. The modified Glauber model is introduced via both Coulomb trajectory of the projectile and calculation of the effective radius of interaction. The effects of density dependent total cross-section and phase variation of nucleon-nucleon scattering amplitude are studied. It is pointed out that the phase variation of the nucleon-nucleon amplitude plays a significant role in describing σR at E p 2 at e = e0 = 0 and γ=2fm 2 at e = e0 = 0.17fm -3 .

pH Control of Untreated Water for Irrigation

Science.gov (United States)

Poyen, Faruk Bin; Kundu, Palash K.; Ghosh, Apurba K.

2018-05-01

Irrigation in India still plays a pivotal role in the country's economic and employment structure. But due to unawareness and lack of technological upgradations and ill and careless agricultural practices, the yield from the fields is poor and not to its best capacity. There exists a lot of reasons and factors that brings down the crop productivity. One among them is the quality of irrigation water that is supplied to the fields. It is a common practice in India and other sub-continental countries not to access the water qualitatively before getting fed to the fields. Albeit, it does not have catastrophic effects on the productivity, but it affects the nourishment of the crops to some good extent. Water pH has a strong effect on the soil and crop, when it comes to absorption of nutrients by the plant bodies. With properly regulating the pH level of the irrigation water, it is possible to create an ambiance where the symbiotic effects between the soil and the plant can be optimized. In this paper, it is tried to regulate the pH levels of the water based on the type of soil and the optimal requirement by the crop. The work in this paper involves neutralization of acidic or alkaline water before it is being supplied to the farmlands. The process model is simulation based which gave considerably good and acceptable results.

Integration of thermal digital 3D model and a MASW (Multichannel Analysis of Surface Wave) as a means of improving monitoring of spoil tip stability

Science.gov (United States)

Lewińska, Paulina; Matuła, Rafał; Dyczko, Artur

2018-01-01

Spoil tips are anthropogenic terrain structures built of leftover (coal) mining materials. They consist mostly of slate and sandstone or mudstone but also include coal and highly explosive coal dust. Coal soil tip fires cause an irreversible degradation to the environment. Government organizations notice the potential problem of spoil tip hazard and are looking for ways of fast monitoring of their temperature and inside structure. In order to test new monitoring methods an experimental was performed in the area of spoil tip of Lubelski Węgiel "Bogdanka" S.A. A survey consisted of creating a 3D discreet thermal model. This was done in order to look for potential fire areas. MASW (Multichannel analysis of surface wave) was done in order to find potential voids within the body of a tip. Existing data was digitalized and a 3D model of object's outside and inside was produced. This article provides results of this survey and informs about advantages of such an approach.

Integration of thermal digital 3D model and a MASW (Multichannel Analysis of Surface Wave as a means of improving monitoring of spoil tip stability

Directory of Open Access Journals (Sweden)

Lewińska Paulina

2018-01-01

Full Text Available Spoil tips are anthropogenic terrain structures built of leftover (coal mining materials. They consist mostly of slate and sandstone or mudstone but also include coal and highly explosive coal dust. Coal soil tip fires cause an irreversible degradation to the environment. Government organizations notice the potential problem of spoil tip hazard and are looking for ways of fast monitoring of their temperature and inside structure. In order to test new monitoring methods an experimental was performed in the area of spoil tip of Lubelski Węgiel „Bogdanka” S.A. A survey consisted of creating a 3D discreet thermal model. This was done in order to look for potential fire areas. MASW (Multichannel analysis of surface wave was done in order to find potential voids within the body of a tip. Existing data was digitalized and a 3D model of object’s outside and inside was produced. This article provides results of this survey and informs about advantages of such an approach.

4s24p3--4s4p4 and 4s24p3--4s2fp25s transitions in Y VII, Zr VIII, Nb IX, and MoX

International Nuclear Information System (INIS)

Reader, J.; Acquista, N.

1981-01-01

Spectra of ionized Y, Zr, Nb, and Mo have been observed in sliding-spark and triggered-spark discharges on 10.7-m normal- and grazing-incidence spectrographs at the National Bureau of Standards in Washington, D. C. From these observations the 4s 2 4p 3 --4s4p 4 transitions in Y VII, Zr VIII, Nb IX, and Mo X have been identified. The 4s 2 4p 3 --4s 2 4p 2 5s transitions in Y VII-Mo X, previously identified by Rahimullah et al. [Phys. Scr. 14, 221--223 (1976); 18, 96--106 (1978)], have been confirmed. In Y VII the 4s 2 4p 3 --4s 2 4p 2 6s and 4s4p 4 --4p 5 transition also have been found. The parameters obtained from least-squares fits to the energy levels are compared with Hartree--Fock calculations. Preliminary values of the ionization energies have been determined as 110.02 +- 0.15 eV for Y VII, 133.7 +- 0.5 eV for Zr VIII, 159.2 +- 0.7 eV for Nb IX, and 186.4 +- 1.2 eV for Mo X

Top 10 "Secret Writing Tips" to Boost Your Productivity: Part 2

Science.gov (United States)

Berk, Ronald A.

2011-01-01

This is the sequel and companion piece to the first five tips published in this journal's winter 2010 issue. To recap, the first five tips are: (1) Write Everyday; (2) Write Everywhere; (3) Conquer Distractions and Interruptions; (4) Write for a Niche; and (5) Write with a Purpose. Now, in this article, the other five tips are discussed: (6) Write…

Theoretical modelling of tip effects in the pushing manipulation of C60 on the Si(001) surface

International Nuclear Information System (INIS)

Martsinovich, N; Kantorovich, L

2008-01-01

We present the results of our theoretical studies on the repulsive (pushing) manipulation of a C 60 molecule on the Si(001) surface with several scanning tunnelling microscopy tips. We show that, for silicon tips, tip-C 60 bonds are formed even with tips that do not initially have dangling bonds, and this tip-C 60 interaction drives the manipulation of the molecule. The details of the atomic structure of the tip and its position relative to the molecule do not have a significant effect on the mechanism and the sequence of adsorption configurations during the pushing manipulation of C 60 along the trough, where the trough itself provides a guiding effect. The pushing manipulation is thus a very robust process that occurs largely independently of the tip structure. On the other hand, the pushing manipulation across an Si-Si dimer row into the neighbouring trough proceeds in a more complex way, with tip deformation and detachment more likely to occur. We demonstrate the role of tip deformation and tip-molecule bond rearrangement in the continuous manipulation of the molecule. Finally, we calculate and analyse the forces acting on the tip during manipulation and identify characteristic patterns

Organotin(IV Derivatives of 2-Acetylpyridine-N(4-Phenylthiosemicarbazone, HAP4P, and 2-Hydroxyacetophenone-N(4-Phenylthiosemicarbazone, H2DAP4P: Crystal and Molecular Structure of [SnMe2(DAP4P] and [SnBu2(DAP4P

Directory of Open Access Journals (Sweden)

Sousa Gerimário F. de

2001-01-01

Full Text Available The reactions of 2-acetylpyridine-N(4-phenylthiosemicarbazone, HAP4P, and 2-hydroxyacetophenone-N(4-phenylthiosemicarbazone, H2DAP4P, with R4-mSnXm (m = 2, 3; R = Me, nBu, Ph and X = Cl, Br led to the formation of hexa- and penta-coordinated organotin(IV complexes, which were studied by microanalysis, IR, ¹H-NMR and Mössbauer spectroscopies. The molecular structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] were determined by single-crystal X-ray diffraction studies. In the compounds [SnClMe2(AP4P] and [SnBrMe2(AP4P], the deprotonated ligand AP4P- is N,N,S-bonded to the Sn(IV atoms, which exhibit strongly distorted octahedral coordination. The structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] revealed that the DAP4P2- anion acts as a O,N,S-tridentate ligand. In these cases, the Sn(IV atoms adopt a strongly distorted trigonal bipyramidal configuration where the azomethine N and the two C atoms are on the equatorial plane while the O and the S atoms occupy the axial positions.

The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation

Energy Technology Data Exchange (ETDEWEB)

Skinner, L. B. [X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Mineral Physics Institute, Stony Brook University, Stony Brook, New York, New York 11794-2100 (United States); Galib, M.; Fulton, J. L., E-mail: John.Fulton@pnnl.gov, E-mail: benmore@anl.gov; Mundy, C. J.; Schenter, G. K. [Physical and Computational Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354 (United States); Parise, J. B. [Mineral Physics Institute, Stony Brook University, Stony Brook, New York, New York 11794-2100 (United States); Department of Geosciences, Stony Brook University, Stony Brook, New York, New York 11794-2100 (United States); Photon Sciences Division, Brookhaven National Laboratory, Upton, New York 11973 (United States); Pham, V.-T. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP48, 91192 Gif-sur-Yvette (France); Center for Quantum Electronics, Institute of Physics, Vietnam Academy of Science and Technology, P.O. Box 429, Boho, Hanoi 10000 (Viet Nam); Benmore, C. J., E-mail: John.Fulton@pnnl.gov, E-mail: benmore@anl.gov [X-Ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2016-04-07

X-ray diffraction measurements of liquid water are reported at pressures up to 360 MPa corresponding to a density of 0.0373 molecules per Å{sup 3}. The measurements were conducted at a spatial resolution corresponding to Q{sub max} = 16 Å{sup −1}. The method of data analysis and measurement in this study follows the earlier benchmark results reported for water under ambient conditions having a density of 0.0333 molecules per Å{sup 3} and Q{sub max} = 20 Å{sup −1} [J. Chem. Phys. 138, 074506 (2013)] and at 70 °C having a density of 0.0327 molecules per Å{sup 3} and Q{sub max} = 20 Å{sup −1} [J. Chem. Phys. 141, 214507 (2014)]. The structure of water is very different at these three different T and P state points and thus they provide the basis for evaluating the fidelity of molecular simulation. Measurements show that at 360 MPa, the 4 waters residing in the region between 2.3 and 3 Å are nearly unchanged: the peak position, shape, and coordination number are nearly identical to their values under ambient conditions. However, in the region above 3 Å, large structural changes occur with the collapse of the well-defined 2nd shell and shifting of higher shells to shorter distances. The measured structure is compared to simulated structure using intermolecular potentials described by both first-principles methods (revPBE-D3) and classical potentials (TIP4P/2005, MB-pol, and mW). The DFT-based, revPBE-D3, method and the many-body empirical potential model, MB-pol, provide the best overall representation of the ambient, high-temperature, and high-pressure data. The revPBE-D3, MB-pol, and the TIP4P/2005 models capture the densification mechanism, whereby the non-bonded 5th nearest neighbor molecule, which partially encroaches the 1st shell at ambient pressure, is pushed further into the local tetrahedral arrangement at higher pressures by the more distant molecules filling the void space in the network between the 1st and 2nd shells.

P4 ATPases: Flippases in Health and Disease

Directory of Open Access Journals (Sweden)

Coen C. Paulusma

2013-04-01

Full Text Available P4 ATPases catalyze the translocation of phospholipids from the exoplasmic to the cytosolic leaflet of biological membranes, a process termed “lipid flipping”. Accumulating evidence obtained in lower eukaryotes points to an important role for P4 ATPases in vesicular protein trafficking. The human genome encodes fourteen P4 ATPases (fifteen in mouse of which the cellular and physiological functions are slowly emerging. Thus far, deficiencies of at least two P4 ATPases, ATP8B1 and ATP8A2, are the cause of severe human disease. However, various mouse models and in vitro studies are contributing to our understanding of the cellular and physiological functions of P4-ATPases. This review summarizes current knowledge on the basic function of these phospholipid translocating proteins, their proposed action in intracellular vesicle transport and their physiological role.

Proton MR spectroscopy of the brain in patients treated with tips

Energy Technology Data Exchange (ETDEWEB)

Hamuro, M.; Nakamura, K.; Matsuoka, T.; Kaminou, T.; Higashida, M.; Yamada, R. [Osaka City Univ. Medical School (Japan). Dept. of Radiology

2000-11-01

To evaluate the utility of proton MR spectroscopy (MRS) for the early detection of hepatic encephalopathy (HE) after transjugular intrahepatic portosystemic shunting (TIPS). Material and Methods: Six patients, who underwent TIPS for treatment of portal hypertension, were examined by MRS 1 week before and 1 week after TIPS. They were simultaneously clinically examined for number connection test, blood NH{sub 3} level, liver function test and the Fischer ratio. Result: Three of 6 patients showed overt HE 1 to 5 weeks after TIPS and the other 3 patients did not show overt HE. The overt HE group showed the larger ratio of the amounts of glutamine and glutamate/myoinositol (Glx/MI) than that of non-overt HE group (p<0.05). Conclusion: The Glx/MI ratio estimated by MRS was useful for early detection of HE after TIPS.

Proton MR spectroscopy of the brain in patients treated with tips

International Nuclear Information System (INIS)

Hamuro, M.; Nakamura, K.; Matsuoka, T.; Kaminou, T.; Higashida, M.; Yamada, R.

2000-01-01

To evaluate the utility of proton MR spectroscopy (MRS) for the early detection of hepatic encephalopathy (HE) after transjugular intrahepatic portosystemic shunting (TIPS). Material and Methods: Six patients, who underwent TIPS for treatment of portal hypertension, were examined by MRS 1 week before and 1 week after TIPS. They were simultaneously clinically examined for number connection test, blood NH 3 level, liver function test and the Fischer ratio. Result: Three of 6 patients showed overt HE 1 to 5 weeks after TIPS and the other 3 patients did not show overt HE. The overt HE group showed the larger ratio of the amounts of glutamine and glutamate/myoinositol (Glx/MI) than that of non-overt HE group (p<0.05). Conclusion: The Glx/MI ratio estimated by MRS was useful for early detection of HE after TIPS

Electrolytes, sugar, calories, osmolarity and pH of beverages and coconut water.

Science.gov (United States)

Chavalittamrong, B; Pidatcha, P; Thavisri, U

1982-09-01

Oral rehydration has been recommended in patients with diarrhoea to replace fluid loss from the gastrointestinal tract and reduce the need for intravenous therapy. Beverages (i.e. Cola, Sprite etc.) and coconut water may be used as sources of oral fluid when glucose-electrolyte solution is not available. To evaluate the usefulness and effectiveness of these soft drinks, the basic data such as electrolytes, sugar, calories, osmolarity and pH were determined. The electrolytes of the beverages were significantly lower (p less than 0.001) than the coconut water, especially potassium. The osmolarity of the beverages, which were 693 mOsm/l, was significantly higher (p less than 0.001) than the coconut water (288 mOsm/l); pH of the beverages (3.1) was more acidic (p less than 0.001) than the coconut water (5.4). While the sugar content of the beverages, which were 8.7 gm/dl, was significantly higher (p less than 0.001) than the coconut water (1.1 gm/dl). On comparison, all brands of beverages would give more calories than the coconut water however the coconut water would be absorbed more easily than any brand of soft drink beverage.

Refined tip preparation by electrochemical etching and ultrahigh vacuum treatment to obtain atomically sharp tips for scanning tunneling microscope and atomic force microscope

International Nuclear Information System (INIS)

Hagedorn, Till; Ouali, Mehdi El; Paul, William; Oliver, David; Miyahara, Yoichi; Gruetter, Peter

2011-01-01

A modification of the common electrochemical etching setup is presented. The described method reproducibly yields sharp tungsten tips for usage in the scanning tunneling microscope and tuning fork atomic force microscope. In situ treatment under ultrahigh vacuum (p ≤10 -10 mbar) conditions for cleaning and fine sharpening with minimal blunting is described. The structure of the microscopic apex of these tips is atomically resolved with field ion microscopy and cross checked with field emission.

Modeling of SCC initiation and propagation mechanisms in BWR environments

Energy Technology Data Exchange (ETDEWEB)

Hoffmeister, Hans, E-mail: Hans.Hoffmeister@hsu-hh.de [Institute for Failure Analysis and Failure Prevention ISSV e.V., c/o Helmut Schmidt University of the Federal Armed Forces, D-22039 Hamburg (Germany); Klein, Oliver [Institute for Failure Analysis and Failure Prevention ISSV e.V., c/o Helmut Schmidt University of the Federal Armed Forces, D-22039 Hamburg (Germany)

2011-12-15

Highlights: Black-Right-Pointing-Pointer We show that SSC in BWR environments includes anodic crack propagation and hydrogen assisted cracking. Black-Right-Pointing-Pointer Hydrogen cracking is triggered by crack tip acidification following local impurity accumulations and subsequent phase precipitations. Black-Right-Pointing-Pointer We calculate effects of pH, chlorides, potentials and stress on crack SCC growth rates at 288 Degree-Sign C. - Abstract: During operation of mainly BWRs' (Boiling Water Reactors) excursions from recommended water chemistries may provide favorite conditions for stress corrosion cracking (SCC). Maximum levels for chloride and sulfate ion contents for avoiding local corrosion are therefore given in respective water specifications. In a previously published deterministic 288 Degree-Sign C - corrosion model for Nickel as a main alloying element of BWR components it was demonstrated that, as a theoretically worst case, bulk water chloride levels as low as 30 ppb provide local chloride ion accumulation, dissolution of passivating nickel oxide and precipitation of nickel chlorides followed by subsequent local acidification. In an extension of the above model to SCC the following work shows that, in a first step, local anodic path corrosion with subsequent oxide breakdown, chloride salt formation and acidification at 288 Degree-Sign C would establish local cathodic reduction of accumulated hydrogen ions inside the crack tip fluid. In a second step, local hydrogen reduction charges and increasing local crack tip strains from increasing crack lengths at given global stresses are time stepwise calculated and related to experimentally determined crack critical cathodic hydrogen charges and fracture strains taken from small scale SSRT tensile tests pieces. As a result, at local hydrogen equilibrium potentials higher than those of nickel in the crack tip solution, hydrogen ion reduction initiates hydrogen crack propagation that is enhanced with

Phase diagram of ZnCr2pA12-2pS(Se)4 and Zn1-pCdpCr2S(Se)4

International Nuclear Information System (INIS)

Afif, K.; Benyoussef, A.; Hamedoun, M.; Hourmatallah, A.

1999-06-01

We compute the phase diagram of the nonmetallic compounds ZnCr2 p A1 2-2p S(Se) 4 (I[S,Se]) and Zn 1-p Cd p Cr 2 S(Se) 4 (II[S,Se]). We consider the bond-diluted Ising model on the spinel B site (S.B.S.) lattice with competitive exchange interactions, i.e. the ferromagnetic exchange interaction J 1 between nearest neighbours (n.n.) and the antiferromagnetic superexchange interaction J 2 between next-nearest neighbours' (n.n.n.) (and/or the more distant superexchange interactions J i (i > 1). Dilution and competition are found to be responsible for the spill glass phase and the percolation behaviour. (author)