A reconstruction algorithm for helical CT imaging on PI-planes.

PubMed

Liang, Hongzhu; Zhang, Cishen; Yan, Ming

2006-01-01

In this paper, a Feldkamp type approximate reconstruction algorithm is presented for helical cone-beam Computed Tomography. To effectively suppress artifacts due to large cone angle scanning, it is proposed to reconstruct the object point-wisely on unique customized tilted PI-planes which are close to the data collecting helices of the corresponding points. Such a reconstruction scheme can considerably suppress the artifacts in the cone-angle scanning. Computer simulations show that the proposed algorithm can provide improved imaging performance compared with the existing approximate cone-beam reconstruction algorithms.

Noncovalent Interactions in the Asymmetric Synthesis of Rigid, Conjugated Helical Structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miyasaka, Makoto; Pink, Maren; Rajca, Suchada

Tetrakis({beta}-trithiophene) 1 folds into a helical conformation (RRR) that facilitates double ring annelation, with high diastereoselectivity and modest enantioselectivity, to provide bis[7]helicene 2 (MRM). This rigid, helically locked structure has enhanced chiroptical properties similar to the corresponding [15]helicene.

Numerical simulation of a helical shape electric arc in the external axial magnetic field

NASA Astrophysics Data System (ADS)

Urusov, R. M.; Urusova, I. R.

2016-10-01

Within the frameworks of non-stationary three-dimensional mathematical model, in approximation of a partial local thermodynamic equilibrium, a numerical calculation was made of characteristics of DC electric arc burning in a cylindrical channel in the uniform external axial magnetic field. The method of numerical simulation of the arc of helical shape in a uniform external axial magnetic field was proposed. This method consists in that that in the computational algorithm, a "scheme" analog of fluctuations for electrons temperature is supplemented. The "scheme" analogue of fluctuations increases a weak numerical asymmetry of electrons temperature distribution, which occurs randomly in the course of computing. This asymmetry can be "picked up" by the external magnetic field that continues to increase up to a certain value, which is sufficient for the formation of helical structure of the arc column. In the absence of fluctuations in the computational algorithm, the arc column in the external axial magnetic field maintains cylindrical axial symmetry, and a helical form of the arc is not observed.

The Tropical Cyclone Response to Structural and Temporal Variability in the Environmental Wind Profile

NASA Astrophysics Data System (ADS)

Onderlinde, Matthew J.

The aim of this dissertation is to attain a better understanding of how tropical cyclones (TCs) respond to variations in the three-dimensional environmental wind field. Much attention has been given to the impact of environmental wind shear in the 850 -- 200 hPa layer on tropical cyclones. However, even with the same magnitude of shear, helicity in this layer can vary significantly. A new parameter is presented, the tropical cyclone-relative environmental helicity (TCREH). Positive TCREH leads to a tilted storm that enhances local storm scale helicity in regions of convection within the TC. Initially we proposed that this enhanced local scale helicity may allow for more robust and longer lasting convection which is more effective at generating latent heat and subsequent TC intensification. Further investigation shows that this is a secondary influence on TC intensity and that variations in the azimuthal and radial position of convection in the TC play a stronger role. Vertical tilt of the vortex is often attributed to wind shear. Different values of helicity modulate this tilt and certain tilt configurations are more favorable for development or intensification than others, suggesting that mean positive environmental helicity is more favorable for development and intensification than mean negative helicity. Idealized modeling simulations demonstrate the impact of environmental helicity on TC development and intensification. Results show that wind profiles with the same 850-200 hPa wind shear but different values of helicity lead to different rates of development. TCREH also is computed from Era-Interim reanalysis (1979 -- 2011) and GFS analyses (2004 -- 2011) to determine if a significant signal exists between TCREH and TC intensification. Mean annular helicity is averaged over various time periods and correlated with the TC intensity change during those periods. Results suggest a weak but statistically significant correlation between environmental helicity and TC intensity change with positive helicity being more favorable for intensification. Another goal of this dissertation is to identify the mechanisms that lead to the observed variations in intensification rate. Results suggest that the difference in intensification rate between TCs embedded in positive versus negative TCREH primarily results from the position of convection and associated latent heat fluxes relative to the wind shear vector. When TCREH is positive, convection is more readily advected upshear and air parcels that experience larger fluxes are more frequently ingested into the TC core. Trajectories computed from high resolution simulations demonstrate the recovery of equivalent potential temperature downwind of convection, latent heat flux near the TC core, and parcel routes through updrafts in convection. Trajectory characteristics show that low-level unstable air is lofted into deep convection near the radius of maximum winds more frequently when TCREH is positive. Contoured frequency-by-altitude diagrams (CFADs) show that convection is distributed differently around TCs embedded in environments characterized by positive versus negative TCREH. They also show that the nature of the most intense convection differs only slightly between cases of positive and negative TCREH. Finally, the implications of time-varying environments around TCs are examined. Until now, idealized numerical simulations of the tropical cyclone (TC) response to time-varying wind shear have applied instantaneous changes in the TC environment. A new modeling framework allows for smoothly transitioning environmental wind states: time-varying point-downscaling (TVPDS). TVPDS is an enhancement of the point-downscaling technique (Nolan 2011) developed for the Weather Research and Forecast (WRF) model. It uses analysis nudging to smoothly transition between different environmental vertical wind (and/or temperature and moisture) profiles while coordinating the point-downscaling method such that the environment remains in balance. Using this new framework, results from previous studies are reexamined to test whether the instantaneous 'shock' to the environment has implications for TC intensity evolution. Results suggest that instantaneous changes to the TC environment indeed do lead to an unrealistic response to an increase in shear. TVPDS simulations of quasi-steady state, moderately intense (~50 ms-1) TCs show that the response to increasing wind shear is a steady reduction in intensity without a recovery to the pre-shear intensity. TVPDS simulations also show that the rate at which the TC weakens depends on how rapidly the environment transitions from low to high shear. Analyses of surface fluxes and regions of convection are presented to determine how the time-varying shear affects the TC.

Magnetic Helicity Estimations in Models and Observations of the Solar Magnetic Field. III. Twist Number Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo, Y.; Pariat, E.; Moraitis, K.

We study the writhe, twist, and magnetic helicity of different magnetic flux ropes, based on models of the solar coronal magnetic field structure. These include an analytical force-free Titov–Démoulin equilibrium solution, non-force-free magnetohydrodynamic simulations, and nonlinear force-free magnetic field models. The geometrical boundary of the magnetic flux rope is determined by the quasi-separatrix layer and the bottom surface, and the axis curve of the flux rope is determined by its overall orientation. The twist is computed by the Berger–Prior formula, which is suitable for arbitrary geometry and both force-free and non-force-free models. The magnetic helicity is estimated by the twistmore » multiplied by the square of the axial magnetic flux. We compare the obtained values with those derived by a finite volume helicity estimation method. We find that the magnetic helicity obtained with the twist method agrees with the helicity carried by the purely current-carrying part of the field within uncertainties for most test cases. It is also found that the current-carrying part of the model field is relatively significant at the very location of the magnetic flux rope. This qualitatively explains the agreement between the magnetic helicity computed by the twist method and the helicity contributed purely by the current-carrying magnetic field.« less

Toward high-resolution computational design of the structure and function of helical membrane proteins.

PubMed

Barth, Patrick; Senes, Alessandro

2016-06-07

The computational design of α-helical membrane proteins is still in its infancy but has already made great progress. De novo design allows stable, specific and active minimal oligomeric systems to be obtained. Computational reengineering can improve the stability and function of naturally occurring membrane proteins. Currently, the major hurdle for the field is the experimental characterization of the designs. The emergence of new structural methods for membrane proteins will accelerate progress.

Medical physics practice in the next decade

PubMed Central

Paliwal, Bhudatt

2006-01-01

Impressive advances in computers and materials science have fueled a broad-based confluence of basic science breakthroughs. These advances are making us reformulate our learning, teaching and credentialing methodologies and research and development frontiers. We are now in the age of molecular medicine. In the entire field of health care, a paradigm shift from population-based solutions to individual specific care is taking place. These trends are reshaping the practice of medical physics. In this short presentation, examples are given to illustrate developments in image-guided intensity-modulated and adaptive helical tomotherapy, enhanced application of intensity modulation radiotherapy (IMRT) using adaptive radiotherapy and conformal avoidance. These advances include improved normal tissue sparing and permit dose reconstruction and verification, thereby allowing significant biologically effective dose escalation and reduced radiation toxicity. The intrinsic capability of helical TomoTherapy for megavoltage CT imaging for IMRT image-guidance is also discussed. Finally developments in motion management are described. PMID:22275799

Helicity conservation under quantum reconnection of vortex rings.

PubMed

Zuccher, Simone; Ricca, Renzo L

2015-12-01

Here we show that under quantum reconnection, simulated by using the three-dimensional Gross-Pitaevskii equation, self-helicity of a system of two interacting vortex rings remains conserved. By resolving the fine structure of the vortex cores, we demonstrate that the total length of the vortex system reaches a maximum at the reconnection time, while both writhe helicity and twist helicity remain separately unchanged throughout the process. Self-helicity is computed by two independent methods, and topological information is based on the extraction and analysis of geometric quantities such as writhe, total torsion, and intrinsic twist of the reconnecting vortex rings.

Dynamics of zonal flows in helical systems.

PubMed

Sugama, H; Watanabe, T-H

2005-03-25

A theory for describing collisionless long-time behavior of zonal flows in helical systems is presented and its validity is verified by gyrokinetic-Vlasov simulation. It is shown that, under the influence of particles trapped in helical ripples, the response of zonal flows to a given source becomes weaker for lower radial wave numbers and deeper helical ripples while a high-level zonal-flow response, which is not affected by helical-ripple-trapped particles, can be maintained for a longer time by reducing their bounce-averaged radial drift velocity. This implies a possibility that helical configurations optimized for reducing neoclassical ripple transport can simultaneously enhance zonal flows which lower anomalous transport.

Helical gears with circular arc teeth: Generation, geometry, precision and adjustment to errors, computer aided simulation of conditions of meshing and bearing contact

NASA Technical Reports Server (NTRS)

Litvin, Faydor L.; Tsay, Chung-Biau

1987-01-01

The authors have proposed a method for the generation of circular arc helical gears which is based on the application of standard equipment, worked out all aspects of the geometry of the gears, proposed methods for the computer aided simulation of conditions of meshing and bearing contact, investigated the influence of manufacturing and assembly errors, and proposed methods for the adjustment of gears to these errors. The results of computer aided solutions are illustrated with computer graphics.

Magnetic field generation by pointwise zero-helicity three-dimensional steady flow of an incompressible electrically conducting fluid

NASA Astrophysics Data System (ADS)

Rasskazov, Andrey; Chertovskih, Roman; Zheligovsky, Vladislav

2018-04-01

We introduce six families of three-dimensional space-periodic steady solenoidal flows, whose kinetic helicity density is zero at any point. Four families are analytically defined. Flows in four families have zero helicity spectrum. Sample flows from five families are used to demonstrate numerically that neither zero kinetic helicity density nor zero helicity spectrum prohibit generation of large-scale magnetic field by the two most prominent dynamo mechanisms: the magnetic α -effect and negative eddy diffusivity. Our computations also attest that such flows often generate small-scale field for sufficiently small magnetic molecular diffusivity. These findings indicate that kinetic helicity and helicity spectrum are not the quantities controlling the dynamo properties of a flow regardless of whether scale separation is present or not.

Effects of hydrophobic and dipole-dipole interactions on the conformational transitions of a model polypeptide

NASA Astrophysics Data System (ADS)

Mu, Yan; Gao, Yi Qin

2007-09-01

We studied the effects of hydrophobicity and dipole-dipole interactions between the nearest-neighbor amide planes on the secondary structures of a model polypeptide by calculating the free energy differences between different peptide structures. The free energy calculations were performed with low computational costs using the accelerated Monte Carlo simulation (umbrella sampling) method, with a bias-potential method used earlier in our accelerated molecular dynamics simulations. It was found that the hydrophobic interaction enhances the stability of α helices at both low and high temperatures but stabilizes β structures only at high temperatures at which α helices are not stable. The nearest-neighbor dipole-dipole interaction stabilizes β structures under all conditions, especially in the low temperature region where α helices are the stable structures. Our results indicate clearly that the dipole-dipole interaction between the nearest neighboring amide planes plays an important role in determining the peptide structures. Current research provides a more unified and quantitative picture for understanding the effects of different forms of interactions on polypeptide structures. In addition, the present model can be extended to describe DNA/RNA, polymer, copolymer, and other chain systems.

Experimental investigation of in-cylinder air flow to optimize number of helical guide vanes to enhance DI diesel engine performance using mamey sapote biodiesel

NASA Astrophysics Data System (ADS)

Kumar, A. Raj; Janardhana Raju, G.; Hemachandra Reddy, K.

2018-03-01

The current research work investigates the influence of helical guide vanes in to the intake runner of a D.I diesel engine operating by the high viscous Mamey Sapote biodiesel to enhance in-cylinder suction air flow features. Helical guide vanes of different number of vanes are produced from 3D printing and placed in the intake manifold to examine the air flow characteristics. Four different helical guide vane devices namely 3, 4, 5 and 6 vanes of the same dimensions are tested in a D.I diesel engine operating with Mamey Sapote biodiesel blend. As per the experimental results of engine performance and emission characteristics, it is found that 5 vanes helical guide vane swirl device exhibited in addition number of increased improvements such as the brake power and bake thermal efficiency by 2.4% and 8.63% respectively and the HC, NOx, Carbon monoxide and, Smoke densities are reduced by 15.62%, 4.23%, 14.27% and 9.6% at peak load operating conditions as collate with normal engine at the same load. Hence this investigation concluded that Helical Guide Vane Devices successfully enhanced the in-cylinder air flow to improve better addition of Mamey Sapote biodiesel with air leading in better performance of the engine than without vanes.

Validation of an Accurate Three-Dimensional Helical Slow-Wave Circuit Model

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1997-01-01

The helical slow-wave circuit embodies a helical coil of rectangular tape supported in a metal barrel by dielectric support rods. Although the helix slow-wave circuit remains the mainstay of the traveling-wave tube (TWT) industry because of its exceptionally wide bandwidth, a full helical circuit, without significant dimensional approximations, has not been successfully modeled until now. Numerous attempts have been made to analyze the helical slow-wave circuit so that the performance could be accurately predicted without actually building it, but because of its complex geometry, many geometrical approximations became necessary rendering the previous models inaccurate. In the course of this research it has been demonstrated that using the simulation code, MAFIA, the helical structure can be modeled with actual tape width and thickness, dielectric support rod geometry and materials. To demonstrate the accuracy of the MAFIA model, the cold-test parameters including dispersion, on-axis interaction impedance and attenuation have been calculated for several helical TWT slow-wave circuits with a variety of support rod geometries including rectangular and T-shaped rods, as well as various support rod materials including isotropic, anisotropic and partially metal coated dielectrics. Compared with experimentally measured results, the agreement is excellent. With the accuracy of the MAFIA helical model validated, the code was used to investigate several conventional geometric approximations in an attempt to obtain the most computationally efficient model. Several simplifications were made to a standard model including replacing the helical tape with filaments, and replacing rectangular support rods with shapes conforming to the cylindrical coordinate system with effective permittivity. The approximate models are compared with the standard model in terms of cold-test characteristics and computational time. The model was also used to determine the sensitivity of various circuit parameters including typical manufacturing dimensional tolerances and support rod permittivity. By varying the circuit parameters of an accurate model using MAFIA, these sensitivities can be computed for manufacturing concerns, and design optimization previous to fabrication, thus eliminating the need for costly experimental iterations. Several variations were made to a standard helical circuit using MAFIA to investigate the effect that variations on helical tape and support rod width, metallized loading height and support rod permittivity, have on TWT cold-test characteristics.

Computer-aided diagnosis workstation and database system for chest diagnosis based on multi-helical CT images

NASA Astrophysics Data System (ADS)

Satoh, Hitoshi; Niki, Noboru; Mori, Kiyoshi; Eguchi, Kenji; Kaneko, Masahiro; Kakinuma, Ryutarou; Moriyama, Noriyuki; Ohmatsu, Hironobu; Masuda, Hideo; Machida, Suguru; Sasagawa, Michizou

2006-03-01

Multi-helical CT scanner advanced remarkably at the speed at which the chest CT images were acquired for mass screening. Mass screening based on multi-helical CT images requires a considerable number of images to be read. It is this time-consuming step that makes the use of helical CT for mass screening impractical at present. To overcome this problem, we have provided diagnostic assistance methods to medical screening specialists by developing a lung cancer screening algorithm that automatically detects suspected lung cancers in helical CT images and a coronary artery calcification screening algorithm that automatically detects suspected coronary artery calcification. We also have developed electronic medical recording system and prototype internet system for the community health in two or more regions by using the Virtual Private Network router and Biometric fingerprint authentication system and Biometric face authentication system for safety of medical information. Based on these diagnostic assistance methods, we have now developed a new computer-aided workstation and database that can display suspected lesions three-dimensionally in a short time. This paper describes basic studies that have been conducted to evaluate this new system. The results of this study indicate that our computer-aided diagnosis workstation and network system can increase diagnostic speed, diagnostic accuracy and safety of medical information.

Recognition of Double Stranded RNA by Guanidine-Modified Peptide Nucleic Acids (GPNA)

PubMed Central

Gupta, Pankaj; Muse, Oluwatoyosi; Rozners, Eriks

2011-01-01

Double helical RNA has become an attractive target for molecular recognition because many non-coding RNAs play important roles in control of gene expression. Recently, we discovered that short peptide nucleic acids (PNA) bind strongly and sequence selectively to a homopurine tract of double helical RNA via triple helix formation. Herein we tested if the molecular recognition of RNA can be enhanced by α-guanidine modification of PNA. Our study was motivated by the discovery of Ly and co-workers that the guanidine modification greatly enhances the cellular delivery of PNA. Isothermal titration calorimetry showed that the guanidine-modified PNA (GPNA) had reduced affinity and sequence selectivity for triple helical recognition of RNA. The data suggested that in contrast to unmodified PNA, which formed a 1:1 PNA-RNA triple helix, GPNA preferred a 2:1 GPNA-RNA triplex-invasion complex. Nevertheless, promising results were obtained for recognition of biologically relevant double helical RNA. Consistent with enhanced strand invasion ability, GPNA derived from D-arginine recognized the transactivation response element (TAR) of HIV-1 with high affinity and sequence selectivity, presumably via Watson-Crick duplex formation. On the other hand, strong and sequence selective triple helices were formed by unmodified and nucelobase-modified PNAs and the purine rich strand of bacterial A-site. These results suggest that appropriate chemical modifications of PNA may enhance molecular recognition of complex non-coding RNAs. PMID:22146072

Comparison of Image Quality and Radiation Dose of Coronary Computed Tomography Angiography Between Conventional Helical Scanning and a Strategy Incorporating Sequential Scanning

PubMed Central

Einstein, Andrew J.; Wolff, Steven D.; Manheimer, Eric D.; Thompson, James; Terry, Sylvia; Uretsky, Seth; Pilip, Adalbert; Peters, M. Robert

2009-01-01

Radiation dose from coronary computed tomography angiography may be reduced using a sequential scanning protocol rather than a conventional helical scanning protocol. Here we compare radiation dose and image quality from coronary computed tomography angiography in a single center between an initial period during which helical scanning with electrocardiographically-controlled tube current modulation was used for all patients (n=138) and after adoption of a strategy incorporating sequential scanning whenever appropriate (n=261). Using the sequential-if-appropriate strategy, sequential scanning was employed in 86.2% of patients. Compared to the helical-only strategy, this strategy was associated with a 65.1% dose reduction (mean dose-length product of 305.2 vs. 875.1 and mean effective dose of 14.9 mSv vs. 5.2 mSv, respectively), with no significant change in overall image quality, step artifacts, motion artifacts, or perceived image noise. For the 225 patients undergoing sequential scanning, the dose-length product was 201.9 ± 90.0 mGy·cm, while for patients undergoing helical scanning under either strategy, the dose-length product was 890.9 ± 293.3 mGy·cm (p<0.0001), corresponding to mean effective doses of 3.4 mSv and 15.1 mSv, respectively, a 77.5% reduction. Image quality was significantly greater for the sequential studies, reflecting the poorer image quality in patients undergoing helical scanning in the sequential-if-appropriate strategy. In conclusion, a sequential-if-appropriate diagnostic strategy reduces dose markedly compared to a helical-only strategy, with no significant difference in image quality. PMID:19892048

PI-line-based image reconstruction in helical cone-beam computed tomography with a variable pitch.

PubMed

Zou, Yu; Pan, Xiaochuan; Xia, Dan; Wang, Ge

2005-08-01

Current applications of helical cone-beam computed tomography (CT) involve primarily a constant pitch where the translating speed of the table and the rotation speed of the source-detector remain constant. However, situations do exist where it may be more desirable to use a helical scan with a variable translating speed of the table, leading a variable pitch. One of such applications could arise in helical cone-beam CT fluoroscopy for the determination of vascular structures through real-time imaging of contrast bolus arrival. Most of the existing reconstruction algorithms have been developed only for helical cone-beam CT with constant pitch, including the backprojection-filtration (BPF) and filtered-backprojection (FBP) algorithms that we proposed previously. It is possible to generalize some of these algorithms to reconstruct images exactly for helical cone-beam CT with a variable pitch. In this work, we generalize our BPF and FBP algorithms to reconstruct images directly from data acquired in helical cone-beam CT with a variable pitch. We have also performed a preliminary numerical study to demonstrate and verify the generalization of the two algorithms. The results of the study confirm that our generalized BPF and FBP algorithms can yield exact reconstruction in helical cone-beam CT with a variable pitch. It should be pointed out that our generalized BPF algorithm is the only algorithm that is capable of reconstructing exactly region-of-interest image from data containing transverse truncations.

Helically agitated mixing in dry dilute acid pretreatment enhances the bioconversion of corn stover into ethanol

PubMed Central

2014-01-01

Background Dry dilute acid pretreatment at extremely high solids loading of lignocellulose materials demonstrated promising advantages of no waste water generation, less sugar loss, and low steam consumption while maintaining high hydrolysis yield. However, the routine pretreatment reactor without mixing apparatus was found not suitable for dry pretreatment operation because of poor mixing and mass transfer. In this study, helically agitated mixing was introduced into the dry dilute acid pretreatment of corn stover and its effect on pretreatment efficiency, inhibitor generation, sugar production, and bioconversion efficiency through simultaneous saccharification and ethanol fermentation (SSF) were evaluated. Results The overall cellulose conversion taking account of cellulose loss in pretreatment was used to evaluate the efficiency of pretreatment. The two-phase computational fluid dynamics (CFD) model on dry pretreatment was established and applied to analyze the mixing mechanism. The results showed that the pretreatment efficiency was significantly improved and the inhibitor generation was reduced by the helically agitated mixing, compared to the dry pretreatment without mixing: the ethanol titer and yield from cellulose in the SSF reached 56.20 g/L and 69.43% at the 30% solids loading and 15 FPU/DM cellulase dosage, respectively, corresponding to a 26.5% increase in ethanol titer and 17.2% increase in ethanol yield at the same fermentation conditions. Conclusions The advantage of helically agitated mixing may provide a prototype of dry dilute acid pretreatment processing for future commercial-scale production of cellulosic ethanol. PMID:24387051

Helicity amplitudes for QCD with massive quarks

NASA Astrophysics Data System (ADS)

Ochirov, Alexander

2018-04-01

The novel massive spinor-helicity formalism of Arkani-Hamed, Huang and Huang provides an elegant way to calculate scattering amplitudes in quantum chromodynamics for arbitrary quark spin projections. In this note we compute two families of tree-level QCD amplitudes with one massive quark pair and n - 2 gluons. The two cases include all gluons with identical helicity and one opposite-helicity gluon being color-adjacent to one of the quarks. Our results naturally incorporate the previously known amplitudes for both quark spins quantized along one of the gluonic momenta. In the all-multiplicity formulae presented here the spin quantization axes can be tuned at will, which includes the case of the definite-helicity quark states.

Computer Modeling of Protocellular Functions: Peptide Insertion in Membranes

NASA Technical Reports Server (NTRS)

Rodriquez-Gomez, D.; Darve, E.; Pohorille, A.

2006-01-01

Lipid vesicles became the precursors to protocells by acquiring the capabilities needed to survive and reproduce. These include transport of ions, nutrients and waste products across cell walls and capture of energy and its conversion into a chemically usable form. In modem organisms these functions are carried out by membrane-bound proteins (about 30% of the genome codes for this kind of proteins). A number of properties of alpha-helical peptides suggest that their associations are excellent candidates for protobiological precursors of proteins. In particular, some simple a-helical peptides can aggregate spontaneously and form functional channels. This process can be described conceptually by a three-step thermodynamic cycle: 1 - folding of helices at the water-membrane interface, 2 - helix insertion into the lipid bilayer and 3 - specific interactions of these helices that result in functional tertiary structures. Although a crucial step, helix insertion has not been adequately studied because of the insolubility and aggregation of hydrophobic peptides. In this work, we use computer simulation methods (Molecular Dynamics) to characterize the energetics of helix insertion and we discuss its importance in an evolutionary context. Specifically, helices could self-assemble only if their interactions were sufficiently strong to compensate the unfavorable Free Energy of insertion of individual helices into membranes, providing a selection mechanism for protobiological evolution.

Flow through triple helical microchannel

NASA Astrophysics Data System (ADS)

Rajbanshi, Pravat; Ghatak, Animangsu

2018-02-01

Flow through helical tubes and channels have been examined in different contexts, for facilitating heat and mass transfer at low Reynolds number flow, for generating plug flow to minimize reactor volume for many reactions. The curvature and torsion of the helices have been shown to engender secondary flow in addition to the primary axial flow, which enhances passive in-plane mixing between different fluid streams. Most of these studies, however, involve a single spiral with circular cross-section, which in essence is symmetric. It is not known, however, how the coupled effect of asymmetry of cross-section and the curvature and torsion of channel would affect the flow profile inside such tubes or channels. In this context, we have presented here the analysis of fluid flow at low Reynolds number inside a novel triple helical channel that consists of three helical flow paths joined along their contour length forming a single channel. We have carried out both microparticle image velocimetry (micro-PIV) and 3D simulation in FLUENT of flow of a Newtonian fluid through such channels. Our analysis shows that whereas in conventional single helices, the secondary flow is characterized by two counter-rotating vortices, in the case of triple helical channels, number of such vortices increases with the helix angle. Such flow profile is expected to enhance possibility of mixing between the liquids, yet diminish the pressure drop.

Fine flow structures in the transition region small-scale loops

NASA Astrophysics Data System (ADS)

Yan, L.; Peter, H.; He, J.; Wei, Y.

2016-12-01

The observation and model have suggested that the transition region EUV emission from the quiet sun region is contributed by very small scale loops which have not been resolved. Recently, the observation from IRIS has revealed that this kind of small scale loops. Based on the high resolution spectral and imaging observation from IRIS, much more detail work needs to be done to reveal the fine flow features in this kind of loop to help us understand the loop heating. Here, we present a detail statistical study of the spatial and temporal evolution of Si IV line profiles of small scale loops and report the spectral features: there is a transition from blue (red) wing enhancement dominant to red (blue) wing enhancement dominant along the cross-section of the loop, which is independent of time. This feature appears as the loop appear and disappear as the loop un-visible. This is probably the signature of helical flow along the loop. The result suggests that the brightening of this kind of loop is probably due to the current dissipation heating in the twisted magnetic field flux tube.

Inner Structure of CME Shock Fronts Revealed by the Electromotive Force and Turbulent Transport Coefficients in Helios-2 Observations

NASA Astrophysics Data System (ADS)

Bourdin, Philippe-A.; Hofer, Bernhard; Narita, Yasuhito

2018-03-01

Electromotive force is an essential quantity in dynamo theory. During a coronal mass ejection (CME), magnetic helicity gets decoupled from the Sun and advected into the heliosphere with the solar wind. Eventually, a heliospheric magnetic transient event might pass by a spacecraft, such as the Helios space observatories. Our aim is to investigate the electromotive force, the kinetic helicity effect (α term), the turbulent diffusion (β term), and the cross-helicity effect (γ term) in the inner heliosphere below 1 au. We set up a one-dimensional model of the solar wind velocity and magnetic field for a hypothetic interplanetary CME. Because turbulent structures within the solar wind evolve much slower than this structure needs to pass by the spacecraft, we use a reduced curl operator to compute the current density and vorticity. We test our CME shock-front model against an observed magnetic transient that passes by the Helios-2 spacecraft. At the peak of the fluctuations in this event we find strongly enhanced α, β, and γ terms, as well as a strong peak in the total electromotive force. Our method allows us to automatically identify magnetic transient events from any in situ spacecraft observations that contain magnetic field and plasma velocity data of the solar wind.

Liver metastases: imaging considerations for protocol development with Multislice CT (MSCT)

PubMed Central

Silverman, Paul M

2006-01-01

Conventional, single-slice helical computed tomography (SSCT) allowed for scanning the majority of the liver during the critical portal venous phase. This was often referred to as the ‘optimal temporal window’. The introduction of current day multislice CT (MSCT) now allows us to acquire images in a much shorter time and more precisely than ever before. This yields increased conspicuity between low attenuation lesions and the enhanced normal liver parenchyma and optimal imaging for the vast majority of hepatic hypovascular metastases. Most importantly, these scanners, when compared to conventional non-helical scanners, avoid impinging upon the ‘equilibrium’ phase when tumors can become isodense/invisible. MSCT also allows for true multiphase scanning during the arterial and late arterial phases for detection of hypervascular metastases. The MSCT imaging speed has increased significantly over the past years with the introduction of 32- and 64-detector systems and will continue to increase in the future volumetric CT. This provides a number of important gains that are discussed in detail. PMID:17098650

Computational prediction of atomic structures of helical membrane proteins aided by EM maps.

PubMed

Kovacs, Julio A; Yeager, Mark; Abagyan, Ruben

2007-09-15

Integral membrane proteins pose a major challenge for protein-structure prediction because only approximately 100 high-resolution structures are available currently, thereby impeding the development of rules or empirical potentials to predict the packing of transmembrane alpha-helices. However, when an intermediate-resolution electron microscopy (EM) map is available, it can be used to provide restraints which, in combination with a suitable computational protocol, make structure prediction feasible. In this work we present such a protocol, which proceeds in three stages: 1), generation of an ensemble of alpha-helices by flexible fitting into each of the density rods in the low-resolution EM map, spanning a range of rotational angles around the main helical axes and translational shifts along the density rods; 2), fast optimization of side chains and scoring of the resulting conformations; and 3), refinement of the lowest-scoring conformations with internal coordinate mechanics, by optimizing the van der Waals, electrostatics, hydrogen bonding, torsional, and solvation energy contributions. In addition, our method implements a penalty term through a so-called tethering map, derived from the EM map, which restrains the positions of the alpha-helices. The protocol was validated on three test cases: GpA, KcsA, and MscL.

New generation methods for spur, helical, and spiral-bevel gears

NASA Technical Reports Server (NTRS)

Litvin, F. L.; Tsung, W.-J.; Coy, J. J.; Handschuh, R. F.; Tsay, C.-B. P.

1986-01-01

New methods for generating spur, helical, and spiral-bevel gears are proposed. These methods provide the gears with conjugate gear tooth surfaces, localized bearing contact, and reduced sensitivity to gear misalignment. Computer programs have been developed for simulating gear meshing and bearing contact.

New generation methods for spur, helical, and spiral-bevel gears

NASA Technical Reports Server (NTRS)

Litvin, F. L.; Tsung, W.-J.; Coy, J. J.; Handschuh, R. F.; Tsay, C.-B. P.

1987-01-01

New methods for generating spur, helical, and spiral-bevel gears are proposed. These methods provide the gears with conjugate gear tooth surfaces, localized bearing contact, and reduced sensitivity to gear misalignment. Computer programs have been developed for simulating gear meshing and bearing contact.

Three-dimensional quantification of vorticity and helicity from 3D cine PC-MRI using finite-element interpolations.

PubMed

Sotelo, Julio; Urbina, Jesús; Valverde, Israel; Mura, Joaquín; Tejos, Cristián; Irarrazaval, Pablo; Andia, Marcelo E; Hurtado, Daniel E; Uribe, Sergio

2018-01-01

We propose a 3D finite-element method for the quantification of vorticity and helicity density from 3D cine phase-contrast (PC) MRI. By using a 3D finite-element method, we seamlessly estimate velocity gradients in 3D. The robustness and convergence were analyzed using a combined Poiseuille and Lamb-Ossen equation. A computational fluid dynamics simulation was used to compared our method with others available in the literature. Additionally, we computed 3D maps for different 3D cine PC-MRI data sets: phantom without and with coarctation (18 healthy volunteers and 3 patients). We found a good agreement between our method and both the analytical solution of the combined Poiseuille and Lamb-Ossen. The computational fluid dynamics results showed that our method outperforms current approaches to estimate vorticity and helicity values. In the in silico model, we observed that for a tetrahedral element of 2 mm of characteristic length, we underestimated the vorticity in less than 5% with respect to the analytical solution. In patients, we found higher values of helicity density in comparison to healthy volunteers, associated with vortices in the lumen of the vessels. We proposed a novel method that provides entire 3D vorticity and helicity density maps, avoiding the used of reformatted 2D planes from 3D cine PC-MRI. Magn Reson Med 79:541-553, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

Monte Carlo simulations of adult and pediatric computed tomography exams: Validation studies of organ doses with physical phantoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Daniel J.; Lee, Choonsik; Tien, Christopher

2013-01-15

Purpose: To validate the accuracy of a Monte Carlo source model of the Siemens SOMATOM Sensation 16 CT scanner using organ doses measured in physical anthropomorphic phantoms. Methods: The x-ray output of the Siemens SOMATOM Sensation 16 multidetector CT scanner was simulated within the Monte Carlo radiation transport code, MCNPX version 2.6. The resulting source model was able to perform various simulated axial and helical computed tomographic (CT) scans of varying scan parameters, including beam energy, filtration, pitch, and beam collimation. Two custom-built anthropomorphic phantoms were used to take dose measurements on the CT scanner: an adult male and amore » 9-month-old. The adult male is a physical replica of University of Florida reference adult male hybrid computational phantom, while the 9-month-old is a replica of University of Florida Series B 9-month-old voxel computational phantom. Each phantom underwent a series of axial and helical CT scans, during which organ doses were measured using fiber-optic coupled plastic scintillator dosimeters developed at University of Florida. The physical setup was reproduced and simulated in MCNPX using the CT source model and the computational phantoms upon which the anthropomorphic phantoms were constructed. Average organ doses were then calculated based upon these MCNPX results. Results: For all CT scans, good agreement was seen between measured and simulated organ doses. For the adult male, the percent differences were within 16% for axial scans, and within 18% for helical scans. For the 9-month-old, the percent differences were all within 15% for both the axial and helical scans. These results are comparable to previously published validation studies using GE scanners and commercially available anthropomorphic phantoms. Conclusions: Overall results of this study show that the Monte Carlo source model can be used to accurately and reliably calculate organ doses for patients undergoing a variety of axial or helical CT examinations on the Siemens SOMATOM Sensation 16 scanner.« less

Improved particle confinement in transition from multiple-helicity to quasi-single-helicity regimes of a reversed-field pinch.

PubMed

Frassinetti, L; Predebon, I; Koguchi, H; Yagi, Y; Hirano, Y; Sakakita, H; Spizzo, G; White, R B

2006-10-27

The quasi-single-helicity (QSH) state of a reversed-field pinch (RFP) plasma is a regime in which the RFP configuration can be sustained by a dynamo produced mainly by a single tearing mode and in which a helical structure with well-defined magnetic flux surfaces arises. In this Letter, we show that spontaneous transitions to the QSH regime enhance the particle confinement. This improvement is originated by the simultaneous and cooperative action of the increase of the magnetic island and the reduction of the magnetic stochasticity.

Simulation of multi-pulse coaxial helicity injection in the Sustained Spheromak Physics Experiment

NASA Astrophysics Data System (ADS)

O'Bryan, J. B.; Romero-Talamás, C. A.; Woodruff, S.

2018-03-01

Nonlinear, numerical computation with the NIMROD code is used to explore magnetic self-organization during multi-pulse coaxial helicity injection in the Sustained Spheromak Physics eXperiment. We describe multiple distinct phases of spheromak evolution, starting from vacuum magnetic fields and the formation of the initial magnetic flux bubble through multiple refluxing pulses and the eventual onset of the column mode instability. Experimental and computational magnetic diagnostics agree on the onset of the column mode instability, which first occurs during the second refluxing pulse of the simulated discharge. Our computations also reproduce the injector voltage traces, despite only specifying the injector current and not explicitly modeling the external capacitor bank circuit. The computations demonstrate that global magnetic evolution is fairly robust to different transport models and, therefore, that a single fluid-temperature model is sufficient for a broader, qualitative assessment of spheromak performance. Although discharges with similar traces of normalized injector current produce similar global spheromak evolution, details of the current distribution during the column mode instability impact the relative degree of poloidal flux amplification and magnetic helicity content.

Cryo-EM Structure Determination Using Segmented Helical Image Reconstruction.

PubMed

Fromm, S A; Sachse, C

2016-01-01

Treating helices as single-particle-like segments followed by helical image reconstruction has become the method of choice for high-resolution structure determination of well-ordered helical viruses as well as flexible filaments. In this review, we will illustrate how the combination of latest hardware developments with optimized image processing routines have led to a series of near-atomic resolution structures of helical assemblies. Originally, the treatment of helices as a sequence of segments followed by Fourier-Bessel reconstruction revealed the potential to determine near-atomic resolution structures from helical specimens. In the meantime, real-space image processing of helices in a stack of single particles was developed and enabled the structure determination of specimens that resisted classical Fourier helical reconstruction and also facilitated high-resolution structure determination. Despite the progress in real-space analysis, the combination of Fourier and real-space processing is still commonly used to better estimate the symmetry parameters as the imposition of the correct helical symmetry is essential for high-resolution structure determination. Recent hardware advancement by the introduction of direct electron detectors has significantly enhanced the image quality and together with improved image processing procedures has made segmented helical reconstruction a very productive cryo-EM structure determination method. © 2016 Elsevier Inc. All rights reserved.

Alternating phenylene and furan/pyrrole/thiophene units-based oligomers: A computational study of the structures and optoelectronic properties

NASA Astrophysics Data System (ADS)

Sahu, Harikrishna; Shukla, Rishabh; Goswami, Juri; Gaur, Priyank; Panda, Aditya N.

2018-01-01

Structural and optoelectronic properties of phenylene-furan, phenylene-pyrrole and phenylene-thiophene oligomers are reported using density functional theory methods. Studies reveal that stabilities of conformers change with increasing chain length, and helical conformers are energetically feasible for large oligomers of the studied systems, due to stacking interactions between adjacent helical turns. Absorption spectra of helices are dominated by multiple number of electronic transitions other than the S0 →S1 , involving orbitals other than the HOMO/LUMO. All studied helices are optically active having similar pattern of negative and positive peaks in the CD spectra.

Computational Investigation of Helical Traveling Wave Tube Transverse RF Field Forces

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A.

1998-01-01

In a previous study using a fully three-dimensional (3D) helical slow-wave circuit cold- test model it was found, contrary to classical helical circuit analyses, that transverse FF electric fields have significant amplitudes compared with the longitudinal component. The RF fields obtained using this helical cold-test model have been scaled to correspond to those of an actual TWT. At the output of the tube, RF field forces reach 61%, 26% and 132% for radial, azimuthal and longitudinal components, respectively, compared to radial space charge forces indicating the importance of considering them in the design of electron beam focusing.

Instability mechanisms and transition scenarios of spiral turbulence in Taylor-Couette flow.

PubMed

Meseguer, Alvaro; Mellibovsky, Fernando; Avila, Marc; Marques, Francisco

2009-10-01

Alternating laminar and turbulent helical bands appearing in shear flows between counterrotating cylinders are accurately computed and the near-wall instability phenomena responsible for their generation identified. The computations show that this intermittent regime can only exist within large domains and that its spiral coherence is not dictated by endwall boundary conditions. A supercritical transition route, consisting of a progressive helical alignment of localized turbulent spots, is carefully studied. Subcritical routes disconnected from secondary laminar flows have also been identified.

A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal† †Electronic supplementary information (ESI) available. CCDC X-ray crystal data for 1a and 1b have been deposited with the CCDC, deposition numbers 1518806 and 1518807. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc05474a Click here for additional data file. Click here for additional data file.

PubMed Central

Tomsett, Michael; Maffucci, Irene; Le Bailly, Bryden A. F.; Byrne, Liam; Bijvoets, Stefan M.; Lizio, M. Giovanna; Raftery, James; Butts, Craig P.; Webb, Simon J.; Contini, Alessandro

2017-01-01

Helical oligomers of achiral monomers adopt domains of uniform screw sense, which are occasionally interrupted by screw-sense reversals. These rare, elusive, and fast-moving features have eluded detailed characterization. We now describe the structure and habits of a screw-sense reversal trapped within a fragment of a helical oligoamide foldamer of the achiral quaternary amino acid 2-aminoisobutyric acid (Aib). The reversal was enforced by compelling the amide oligomer to adopt a right-handed screw sense at one end and a left-handed screw sense at the other. The trapped reversal was characterized by X-ray crystallography, and its dynamic properties were monitored by NMR and circular dichroism, and modelled computationally. Raman spectroscopy indicated that a predominantly helical architecture was maintained despite the reversal. NMR and computational results indicated a stepwise shift from one screw sense to another on moving along the helical chain, indicating that in solution the reversal is not localised at a specific location, but is free to migrate across a number of residues. Analogous unconstrained screw-sense reversals that are free to move within a helical structure are likely to provide the mechanism by which comparable helical polymers and foldamers undergo screw-sense inversion. PMID:28451368

Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking.

PubMed

Higo, Junichi; Dasgupta, Bhaskar; Mashimo, Tadaaki; Kasahara, Kota; Fukunishi, Yoshifumi; Nakamura, Haruki

2015-07-30

A novel enhanced conformational sampling method, virtual-system-coupled adaptive umbrella sampling (V-AUS), was proposed to compute 300-K free-energy landscape for flexible molecular docking, where a virtual degrees of freedom was introduced to control the sampling. This degree of freedom interacts with the biomolecular system. V-AUS was applied to complex formation of two disordered amyloid-β (Aβ30-35 ) peptides in a periodic box filled by an explicit solvent. An interpeptide distance was defined as the reaction coordinate, along which sampling was enhanced. A uniform conformational distribution was obtained covering a wide interpeptide distance ranging from the bound to unbound states. The 300-K free-energy landscape was characterized by thermodynamically stable basins of antiparallel and parallel β-sheet complexes and some other complex forms. Helices were frequently observed, when the two peptides contacted loosely or fluctuated freely without interpeptide contacts. We observed that V-AUS converged to uniform distribution more effectively than conventional AUS sampling did. © 2015 Wiley Periodicals, Inc.

Scalable nanohelices for predictive studies and enhanced 3D visualization.

PubMed

Meagher, Kwyn A; Doblack, Benjamin N; Ramirez, Mercedes; Davila, Lilian P

2014-11-12

Spring-like materials are ubiquitous in nature and of interest in nanotechnology for energy harvesting, hydrogen storage, and biological sensing applications. For predictive simulations, it has become increasingly important to be able to model the structure of nanohelices accurately. To study the effect of local structure on the properties of these complex geometries one must develop realistic models. To date, software packages are rather limited in creating atomistic helical models. This work focuses on producing atomistic models of silica glass (SiO₂) nanoribbons and nanosprings for molecular dynamics (MD) simulations. Using an MD model of "bulk" silica glass, two computational procedures to precisely create the shape of nanoribbons and nanosprings are presented. The first method employs the AWK programming language and open-source software to effectively carve various shapes of silica nanoribbons from the initial bulk model, using desired dimensions and parametric equations to define a helix. With this method, accurate atomistic silica nanoribbons can be generated for a range of pitch values and dimensions. The second method involves a more robust code which allows flexibility in modeling nanohelical structures. This approach utilizes a C++ code particularly written to implement pre-screening methods as well as the mathematical equations for a helix, resulting in greater precision and efficiency when creating nanospring models. Using these codes, well-defined and scalable nanoribbons and nanosprings suited for atomistic simulations can be effectively created. An added value in both open-source codes is that they can be adapted to reproduce different helical structures, independent of material. In addition, a MATLAB graphical user interface (GUI) is used to enhance learning through visualization and interaction for a general user with the atomistic helical structures. One application of these methods is the recent study of nanohelices via MD simulations for mechanical energy harvesting purposes.

Using synthetic bacterial enhancers to reveal a looping-based mechanism for quenching-like repression

PubMed Central

Brunwasser-Meirom, Michal; Pollak, Yaroslav; Goldberg, Sarah; Levy, Lior; Atar, Orna; Amit, Roee

2016-01-01

We explore a model for ‘quenching-like' repression by studying synthetic bacterial enhancers, each characterized by a different binding site architecture. To do so, we take a three-pronged approach: first, we compute the probability that a protein-bound dsDNA molecule will loop. Second, we use hundreds of synthetic enhancers to test the model's predictions in bacteria. Finally, we verify the mechanism bioinformatically in native genomes. Here we show that excluded volume effects generated by DNA-bound proteins can generate substantial quenching. Moreover, the type and extent of the regulatory effect depend strongly on the relative arrangement of the binding sites. The implications of these results are that enhancers should be insensitive to 10–11 bp insertions or deletions (INDELs) and sensitive to 5–6 bp INDELs. We test this prediction on 61 σ54-regulated qrr genes from the Vibrio genus and confirm the tolerance of these enhancers' sequences to the DNA's helical repeat. PMID:26832446

Using synthetic bacterial enhancers to reveal a looping-based mechanism for quenching-like repression.

PubMed

Brunwasser-Meirom, Michal; Pollak, Yaroslav; Goldberg, Sarah; Levy, Lior; Atar, Orna; Amit, Roee

2016-02-02

We explore a model for 'quenching-like' repression by studying synthetic bacterial enhancers, each characterized by a different binding site architecture. To do so, we take a three-pronged approach: first, we compute the probability that a protein-bound dsDNA molecule will loop. Second, we use hundreds of synthetic enhancers to test the model's predictions in bacteria. Finally, we verify the mechanism bioinformatically in native genomes. Here we show that excluded volume effects generated by DNA-bound proteins can generate substantial quenching. Moreover, the type and extent of the regulatory effect depend strongly on the relative arrangement of the binding sites. The implications of these results are that enhancers should be insensitive to 10-11 bp insertions or deletions (INDELs) and sensitive to 5-6 bp INDELs. We test this prediction on 61 σ(54)-regulated qrr genes from the Vibrio genus and confirm the tolerance of these enhancers' sequences to the DNA's helical repeat.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Hongqi; Brandenburg, Axel; Sokoloff, D. D., E-mail: hzhang@bao.ac.cn

We adopt an isotropic representation of the Fourier-transformed two-point correlation tensor of the magnetic field to estimate the magnetic energy and helicity spectra as well as current helicity spectra of two individual active regions (NOAA 11158 and NOAA 11515) and the change of the spectral indices during their development as well as during the solar cycle. The departure of the spectral indices of magnetic energy and current helicity from 5/3 are analyzed, and it is found that it is lower than the spectral index of the magnetic energy spectrum. Furthermore, the fractional magnetic helicity tends to increase when the scale of themore » energy-carrying magnetic structures increases. The magnetic helicity of NOAA 11515 violates the expected hemispheric sign rule, which is interpreted as an effect of enhanced field strengths at scales larger than 30–60 Mm with opposite signs of helicity. This is consistent with the general cycle dependence, which shows that around the solar maximum the magnetic energy and helicity spectra are steeper, emphasizing the large-scale field.« less

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, J. A., Jr.

1998-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAFIA is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyzes required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A., Jr.

1997-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAFIA is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyses required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Effect of Helical Slow-Wave Circuit Variations on TWT Cold-Test Characteristics

NASA Technical Reports Server (NTRS)

Kory, Carol L.; Dayton, James A., Jr.

1998-01-01

Recent advances in the state of the art of computer modeling offer the possibility for the first time to evaluate the effect that slow-wave structure parameter variations, such'as manufacturing tolerances, have on the cold-test characteristics of helical traveling-wave tubes (TWT's). This will enable manufacturers to determine the cost effectiveness of controlling the dimensions of the component parts of the TWT, which is almost impossible to do experimentally without building a large number of tubes and controlling several parameters simultaneously. The computer code MAxwell's equations by the Finite Integration Algorithm (MAFIA) is used in this analysis to determine the effect on dispersion and on-axis interaction impedance of several helical slow-wave circuit parameter variations, including thickness and relative dielectric constant of the support rods, tape width, and height of the metallized films deposited on the dielectric rods. Previous computer analyzes required so many approximations that accurate determinations of the effect of many relevant dimensions on tube performance were practically impossible.

Helical Face Gear Development Under the Enhanced Rotorcraft Drive System Program

NASA Technical Reports Server (NTRS)

Heath, Gregory F.; Slaughter, Stephen C.; Fisher, David J.; Lewicki, David G.; Fetty, Jason

2011-01-01

U.S. Army goals for the Enhanced Rotorcraft Drive System Program are to achieve a 40 percent increase in horsepower to weight ratio, a 15 dB reduction in drive system generated noise, 30 percent reduction in drive system operating, support, and acquisition cost, and 75 percent automatic detection of critical mechanical component failures. Boeing s technology transition goals are that the operational endurance level of the helical face gearing and related split-torque designs be validated to a TRL 6, and that analytical and manufacturing tools be validated. Helical face gear technology is being developed in this project to augment, and transition into, a Boeing AH-64 Block III split-torque face gear main transmission stage, to yield increased power density and reduced noise. To date, helical face gear grinding development on Northstar s new face gear grinding machine and pattern-development tests at the NASA Glenn/U.S. Army Research Laboratory have been completed and are described.

The SSME seal test program: Leakage tests for helically-grooved seals

NASA Technical Reports Server (NTRS)

Childs, D. W.

1983-01-01

Helically grooved annular seal configurations were tested in highly turbulent flow to determine if reduced leakage and enhanced stability would result from the pumping action of the seal. It was found that: (1) leakage of a helically grooved seals decreases with running speed; (2) leakage reduction due to increased running speed is greater at lower values of R sub a; (3) an asymptote for leakage reduction is indicated with increasing running speed; (4) leakage is reduced by reducing the ridge (minimum) and average clearances; (5) leakage increases with increasing pitch angles and with increasing groove depth. Plain seals with smooth rotors and stators will leak more than a helically grooved seal. It was also found that plain seals with a rough rotor and a rough stator leak less than a properly designed helically grooved seal. A properly designed helically grooved seal consumes at least twice as much power as a conventional annular seal.

Hardness and microstructure analysis of damaged gear caused by adhesive wear

NASA Astrophysics Data System (ADS)

Mahendra, Rizky Budi; Nugroho, Sri; Ismail, Rifky

2018-03-01

This study was a result from research on repairing project of damaged elevator gear box. The objective of this research is to analyze the failure part on elevator gearbox at flourmill factory. The equipment was damaged after one year installed and running on factory. Severe wear was occurred on high speed helical gear. These helical gear was one of main part of elevator gearbox in flour mill manufacture. Visually, plastic deformation didn't occurred and not visible on the failure helical gear shaft. Some test would be performed to check the chemical composition, microstructure and hardness of failure helical gear. The material of failure helical gear shaft was a medium carbon steel alloy. The microstructure was showed a martensitic phase formed on the surface to the center area of gear shaft. Otherwise, the depth of hardness layer slight formed on surface and lack depth of hardness layer was a main trigger of severe wear. It was not enough to resist wear due to friction caused by rolling and sliding on surface between high speed gear and low speed gear. Enhancement of hardness layer on surface and depth of hardness layer will make the component has more long life time. Furthermore, to perform next research is needed to analyze the reliability of enhanced hardness on layer and depth of hardness layer on helical gear shaft.

Computer-aided diagnosis workstation and network system for chest diagnosis based on multislice CT images

NASA Astrophysics Data System (ADS)

Satoh, Hitoshi; Niki, Noboru; Eguchi, Kenji; Moriyama, Noriyuki; Ohmatsu, Hironobu; Masuda, Hideo; Machida, Suguru

2008-03-01

Mass screening based on multi-helical CT images requires a considerable number of images to be read. It is this time-consuming step that makes the use of helical CT for mass screening impractical at present. To overcome this problem, we have provided diagnostic assistance methods to medical screening specialists by developing a lung cancer screening algorithm that automatically detects suspected lung cancers in helical CT images, a coronary artery calcification screening algorithm that automatically detects suspected coronary artery calcification and a vertebra body analysis algorithm for quantitative evaluation of osteoporosis likelihood by using helical CT scanner for the lung cancer mass screening. The function to observe suspicious shadow in detail are provided in computer-aided diagnosis workstation with these screening algorithms. We also have developed the telemedicine network by using Web medical image conference system with the security improvement of images transmission, Biometric fingerprint authentication system and Biometric face authentication system. Biometric face authentication used on site of telemedicine makes "Encryption of file" and Success in login" effective. As a result, patients' private information is protected. Based on these diagnostic assistance methods, we have developed a new computer-aided workstation and a new telemedicine network that can display suspected lesions three-dimensionally in a short time. The results of this study indicate that our radiological information system without film by using computer-aided diagnosis workstation and our telemedicine network system can increase diagnostic speed, diagnostic accuracy and security improvement of medical information.

Extending Three-Dimensional Weighted Cone Beam Filtered Backprojection (CB-FBP) Algorithm for Image Reconstruction in Volumetric CT at Low Helical Pitches

PubMed Central

Hsieh, Jiang; Nilsen, Roy A.; McOlash, Scott M.

2006-01-01

A three-dimensional (3D) weighted helical cone beam filtered backprojection (CB-FBP) algorithm (namely, original 3D weighted helical CB-FBP algorithm) has already been proposed to reconstruct images from the projection data acquired along a helical trajectory in angular ranges up to [0, 2 π]. However, an overscan is usually employed in the clinic to reconstruct tomographic images with superior noise characteristics at the most challenging anatomic structures, such as head and spine, extremity imaging, and CT angiography as well. To obtain the most achievable noise characteristics or dose efficiency in a helical overscan, we extended the 3D weighted helical CB-FBP algorithm to handle helical pitches that are smaller than 1: 1 (namely extended 3D weighted helical CB-FBP algorithm). By decomposing a helical over scan with an angular range of [0, 2π + Δβ] into a union of full scans corresponding to an angular range of [0, 2π], the extended 3D weighted function is a summation of all 3D weighting functions corresponding to each full scan. An experimental evaluation shows that the extended 3D weighted helical CB-FBP algorithm can improve noise characteristics or dose efficiency of the 3D weighted helical CB-FBP algorithm at a helical pitch smaller than 1: 1, while its reconstruction accuracy and computational efficiency are maintained. It is believed that, such an efficient CB reconstruction algorithm that can provide superior noise characteristics or dose efficiency at low helical pitches may find its extensive applications in CT medical imaging. PMID:23165031

Advanced Face Gear Surface Durability Evaluations

NASA Technical Reports Server (NTRS)

Lewicki, David G.; Heath, Gregory F.

2016-01-01

The surface durability life of helical face gears and isotropic super-finished (ISF) face gears was investigated. Experimental fatigue tests were performed at the NASA Glenn Research Center. Endurance tests were performed on 10 sets of helical face gears in mesh with tapered involute helical pinions, and 10 sets of ISF-enhanced straight face gears in mesh with tapered involute spur pinions. The results were compared to previous tests on straight face gears. The life of the ISF configuration was slightly less than that of previous tests on straight face gears. The life of the ISF configuration was slightly greater than that of the helical configuration.

Computational Prediction of Atomic Structures of Helical Membrane Proteins Aided by EM Maps

PubMed Central

Kovacs, Julio A.; Yeager, Mark; Abagyan, Ruben

2007-01-01

Integral membrane proteins pose a major challenge for protein-structure prediction because only ≈100 high-resolution structures are available currently, thereby impeding the development of rules or empirical potentials to predict the packing of transmembrane α-helices. However, when an intermediate-resolution electron microscopy (EM) map is available, it can be used to provide restraints which, in combination with a suitable computational protocol, make structure prediction feasible. In this work we present such a protocol, which proceeds in three stages: 1), generation of an ensemble of α-helices by flexible fitting into each of the density rods in the low-resolution EM map, spanning a range of rotational angles around the main helical axes and translational shifts along the density rods; 2), fast optimization of side chains and scoring of the resulting conformations; and 3), refinement of the lowest-scoring conformations with internal coordinate mechanics, by optimizing the van der Waals, electrostatics, hydrogen bonding, torsional, and solvation energy contributions. In addition, our method implements a penalty term through a so-called tethering map, derived from the EM map, which restrains the positions of the α-helices. The protocol was validated on three test cases: GpA, KcsA, and MscL. PMID:17496035

Topology of modified helical gears and Tooth Contact Analysis (TCA) program

NASA Technical Reports Server (NTRS)

Litvin, Faydor L.; Zhang, Jiao

1989-01-01

The contents of this report covers: (1) development of optimal geometries for crowned helical gears; (2) a method for their generation; (3) tooth contact analysis (TCA) computer programs for the analysis of meshing and bearing contact of the crowned helical gears; and (4) modelling and simulation of gear shaft deflection. The developed method for synthesis was used to determine the optimal geometry for a crowned helical pinion surface and was directed to localize the bearing contact and guarantee favorable shape and a low level of transmission errors. Two new methods for generation of the crowned helical pinion surface are proposed. One is based on the application of a tool with a surface of revolution that slightly deviates from a regular cone surface. The tool can be used as a grinding wheel or as a shaver. The other is based on a crowning pinion tooth surface with predesigned transmission errors. The pinion tooth surface can be generated by a computer-controlled automatic grinding machine. The TCA program simulates the meshing and bearing contact of the misaligned gears. The transmission errors are also determined. The gear shaft deformation was modelled and investigated. It was found that the deflection of gear shafts has the same effect as gear misalignment.

Structural dynamics of free proteins in diffraction.

PubMed

Lin, Milo M; Shorokhov, Dmitry; Zewail, Ahmed H

2011-10-26

Among the macromolecular patterns of biological significance, right-handed α-helices are perhaps the most abundant structural motifs. Here, guided by experimental findings, we discuss both ultrafast initial steps and longer-time-scale structural dynamics of helix-coil transitions induced by a range of temperature jumps in large, isolated macromolecular ensembles of an α-helical protein segment thymosin β(9) (Tβ(9)), and elucidate the comprehensive picture of (un)folding. In continuation of an earlier theoretical work from this laboratory that utilized a simplistic structure-scrambling algorithm combined with a variety of self-avoidance thresholds to approximately model helix-coil transitions in Tβ(9), in the present contribution we focus on the actual dynamics of unfolding as obtained from massively distributed ensemble-convergent MD simulations which provide an unprecedented scope of information on the nature of transient macromolecular structures, and with atomic-scale spatiotemporal resolution. In addition to the use of radial distribution functions of ultrafast electron diffraction (UED) simulations in gaining an insight into the elementary steps of conformational interconversions, we also investigate the structural dynamics of the protein via the native (α-helical) hydrogen bonding contact metric which is an intuitive coarse graining approach. Importantly, the decay of α-helical motifs and the (globular) conformational annealing in Tβ(9) occur consecutively or competitively, depending on the magnitude of temperature jump.

Computational design of water-soluble α-helical barrels.

PubMed

Thomson, Andrew R; Wood, Christopher W; Burton, Antony J; Bartlett, Gail J; Sessions, Richard B; Brady, R Leo; Woolfson, Derek N

2014-10-24

The design of protein sequences that fold into prescribed de novo structures is challenging. General solutions to this problem require geometric descriptions of protein folds and methods to fit sequences to these. The α-helical coiled coils present a promising class of protein for this and offer considerable scope for exploring hitherto unseen structures. For α-helical barrels, which have more than four helices and accessible central channels, many of the possible structures remain unobserved. Here, we combine geometrical considerations, knowledge-based scoring, and atomistic modeling to facilitate the design of new channel-containing α-helical barrels. X-ray crystal structures of the resulting designs match predicted in silico models. Furthermore, the observed channels are chemically defined and have diameters related to oligomer state, which present routes to design protein function. Copyright © 2014, American Association for the Advancement of Science.

Unenhanced 320-row multidetector computed tomography of the brain in children: comparison of image quality and radiation dose among wide-volume, one-shot volume, and helical scan modes.

PubMed

Jeon, Sun Kyung; Choi, Young Hun; Cheon, Jung-Eun; Kim, Woo Sun; Cho, Yeon Jin; Ha, Ji Young; Lee, Seung Hyun; Hyun, Hyejin; Kim, In-One

2018-04-01

The 320-row multidetector computed tomography (CT) scanner has multiple scan modes, including volumetric modes. To compare the image quality and radiation dose of 320-row CT in three acquisition modes - helical, one-shot volume, and wide-volume scan - at pediatric brain imaging. Fifty-seven children underwent unenhanced brain CT using one of three scan modes (helical scan, n=21; one-shot volume scan, n=17; wide-volume scan, n=19). For qualitative analysis, two reviewers evaluated overall image quality and image noise using a 5-point grading system. For quantitative analysis, signal-to-noise ratio, image noise and posterior fossa artifact index were calculated. To measure the radiation dose, adjusted CT dose index per unit volume (CTDI adj ) and dose length product (DLP) were compared. Qualitatively, the wide-volume scan showed significantly less image noise than the helical scan (P=0.009), and less streak artifact than the one-shot volume scan (P=0.001). The helical mode showed significantly lower signal-to-noise ratio, with a higher image noise level compared with the one-shot volume and wide-volume modes (all P<0.05). The CTDI adj and DLP were significantly lower in the one-shot volume and wide-volume modes compared with those in the helical scan mode (all P<0.05). For pediatric unenhanced brain CT, both the wide-volume and one-shot volume scans reduced radiation dose compared to the helical scan mode, while the wide-volume scan mode showed fewer streak artifacts in the skull vertex and posterior fossa than the one-shot volume scan.

Association of achondroplasia with Down syndrome: difficulty in prenatal diagnosis by sonographic and 3-D helical computed tomographic analyses.

PubMed

Kaga, Akimune; Murotsuki, Jun; Kamimura, Miki; Kimura, Masato; Saito-Hakoda, Akiko; Kanno, Junko; Hoshi, Kazuhiko; Kure, Shigeo; Fujiwara, Ikuma

2015-05-01

Achondroplasia and Down syndrome are relatively common conditions individually. But co-occurrence of both conditions in the same patient is rare and there have been no reports of fetal analysis of this condition by prenatal sonographic and three-dimensional (3-D) helical computed tomography (CT). Prenatal sonographic findings seen in persons with Down syndrome, such as a thickened nuchal fold, cardiac defects, and echogenic bowel were not found in the patient. A prenatal 3-D helical CT revealed a large head with frontal bossing, metaphyseal flaring of the long bones, and small iliac wings, which suggested achondroplasia. In a case with combination of achondroplasia and Down syndrome, it may be difficult to diagnose the co-occurrence prenatally without typical markers of Down syndrome. © 2014 Japanese Teratology Society.

User's guide for a large signal computer model of the helical traveling wave tube

NASA Technical Reports Server (NTRS)

Palmer, Raymond W.

1992-01-01

The use is described of a successful large-signal, two-dimensional (axisymmetric), deformable disk computer model of the helical traveling wave tube amplifier, an extensively revised and operationally simplified version. We also discuss program input and output and the auxiliary files necessary for operation. Included is a sample problem and its input data and output results. Interested parties may now obtain from the author the FORTRAN source code, auxiliary files, and sample input data on a standard floppy diskette, the contents of which are described herein.

Computational prediction of kink properties of helices in membrane proteins

NASA Astrophysics Data System (ADS)

Mai, T.-L.; Chen, C.-M.

2014-02-01

We have combined molecular dynamics simulations and fold identification procedures to investigate the structure of 696 kinked and 120 unkinked transmembrane (TM) helices in the PDBTM database. Our main aim of this study is to understand the formation of helical kinks by simulating their quasi-equilibrium heating processes, which might be relevant to the prediction of their structural features. The simulated structural features of these TM helices, including the position and the angle of helical kinks, were analyzed and compared with statistical data from PDBTM. From quasi-equilibrium heating processes of TM helices with four very different relaxation time constants, we found that these processes gave comparable predictions of the structural features of TM helices. Overall, 95 % of our best kink position predictions have an error of no more than two residues and 75 % of our best angle predictions have an error of less than 15°. Various structure assessments have been carried out to assess our predicted models of TM helices in PDBTM. Our results show that, in 696 predicted kinked helices, 70 % have a RMSD less than 2 Å, 71 % have a TM-score greater than 0.5, 69 % have a MaxSub score greater than 0.8, 60 % have a GDT-TS score greater than 85, and 58 % have a GDT-HA score greater than 70. For unkinked helices, our predicted models are also highly consistent with their crystal structure. These results provide strong supports for our assumption that kink formation of TM helices in quasi-equilibrium heating processes is relevant to predicting the structure of TM helices.

Numerical evaluation of laminar heat transfer enhancement in nanofluid flow in coiled square tubes

PubMed Central

2011-01-01

Convective heat transfer can be enhanced by changing flow geometry and/or by enhancing thermal conductivity of the fluid. This study proposes simultaneous passive heat transfer enhancement by combining the geometry effect utilizing nanofluids inflow in coils. The two nanofluid suspensions examined in this study are: water-Al2O3 and water-CuO. The flow behavior and heat transfer performance of these nanofluid suspensions in various configurations of coiled square tubes, e.g., conical spiral, in-plane spiral, and helical spiral, are investigated and compared with those for water flowing in a straight tube. Laminar flow of a Newtonian nanofluid in coils made of square cross section tubes is simulated using computational fluid dynamics (CFD)approach, where the nanofluid properties are treated as functions of particle volumetric concentration and temperature. The results indicate that addition of small amounts of nanoparticles up to 1% improves significantly the heat transfer performance; however, further addition tends to deteriorate heat transfer performance. PMID:21711901

Helicity-Selective Enhancement and Polarization Control of Attosecond High Harmonic Waveforms Driven by Bichromatic Circularly Polarized Laser Fields.

PubMed

Dorney, Kevin M; Ellis, Jennifer L; Hernández-García, Carlos; Hickstein, Daniel D; Mancuso, Christopher A; Brooks, Nathan; Fan, Tingting; Fan, Guangyu; Zusin, Dmitriy; Gentry, Christian; Grychtol, Patrik; Kapteyn, Henry C; Murnane, Margaret M

2017-08-11

High harmonics driven by two-color counterrotating circularly polarized laser fields are a unique source of bright, circularly polarized, extreme ultraviolet, and soft x-ray beams, where the individual harmonics themselves are completely circularly polarized. Here, we demonstrate the ability to preferentially select either the right or left circularly polarized harmonics simply by adjusting the relative intensity ratio of the bichromatic circularly polarized driving laser field. In the frequency domain, this significantly enhances the harmonic orders that rotate in the same direction as the higher-intensity driving laser. In the time domain, this helicity-dependent enhancement corresponds to control over the polarization of the resulting attosecond waveforms. This helicity control enables the generation of circularly polarized high harmonics with a user-defined polarization of the underlying attosecond bursts. In the future, this technique should allow for the production of bright highly elliptical harmonic supercontinua as well as the generation of isolated elliptically polarized attosecond pulses.

Modified Involute Helical Gears: Computerized Design, Simulation of Meshing, and Stress Analysis

NASA Technical Reports Server (NTRS)

Handschuh, Robert (Technical Monitor); Litvin, Faydor L.; Gonzalez-Perez, Ignacio; Carnevali, Luca; Kawasaki, Kazumasa; Fuentes-Aznar, Alfonso

2003-01-01

The computerized design, methods for generation, simulation of meshing, and enhanced stress analysis of modified involute helical gears is presented. The approaches proposed for modification of conventional involute helical gears are based on conjugation of double-crowned pinion with a conventional helical involute gear. Double-crowning of the pinion means deviation of cross-profile from an involute one and deviation in longitudinal direction from a helicoid surface. Using the method developed, the pinion-gear tooth surfaces are in point-contact, the bearing contact is localized and oriented longitudinally, and edge contact is avoided. Also, the influence of errors of aligment on the shift of bearing contact, vibration, and noise are reduced substantially. The theory developed is illustrated with numerical examples that confirm the advantages of the gear drives of the modified geometry in comparison with conventional helical involute gears.

Modified Involute Helical Gears: Computerized Design, Simulation of Meshing and Stress Analysis

NASA Technical Reports Server (NTRS)

2003-01-01

The computerized design, methods for generation, simulation of meshing, and enhanced stress analysis of modified involute helical gears is presented. The approaches proposed for modification of conventional involute helical gears are based on conjugation of double-crowned pinion with a conventional helical involute gear. Double-crowning of the pinion means deviation of cross-profile from an involute one and deviation in longitudinal direction from a helicoid surface. Using the method developed, the pinion-gear tooth surfaces are in point-contact, the bearing contact is localized and oriented longitudinally, and edge contact is avoided. Also, the influence of errors of alignment on the shift of bearing contact, vibration, and noise are reduced substantially. The theory developed is illustrated with numerical examples that confirm the advantages of the gear drives of the modified geometry in comparison with conventional helical involute gears.

Helical vortices: viscous dynamics and instability

NASA Astrophysics Data System (ADS)

Rossi, Maurice; Selcuk, Can; Delbende, Ivan; Ijlra-Upmc Team; Limsi-Cnrs Team

2014-11-01

Understanding the dynamical properties of helical vortices is of great importance for numerous applications such as wind turbines, helicopter rotors, ship propellers. Locally these flows often display a helical symmetry: fields are invariant through combined axial translation of distance Δz and rotation of angle θ = Δz / L around the same z-axis, where 2 πL denotes the helix pitch. A DNS code with built-in helical symmetry has been developed in order to compute viscous quasi-steady basic states with one or multiple vortices. These states will be characterized (core structure, ellipticity, ...) as a function of the pitch, without or with an axial flow component. The instability modes growing in the above base flows and their growth rates are investigated by a linearized version of the DNS code coupled to an Arnoldi procedure. This analysis is complemented by a helical thin-cored vortex filaments model. ANR HELIX.

Energy and helicity of magnetic torus knots and braids

NASA Astrophysics Data System (ADS)

Oberti, Chiara; Ricca, Renzo L.

2018-02-01

By considering steady magnetic fields in the shape of torus knots and unknots in ideal magnetohydrodynamics, we compute some fundamental geometric and physical properties to provide estimates for magnetic energy and helicity. By making use of an appropriate parametrization, we show that knots with dominant toroidal coils that are a good model for solar coronal loops have negligible total torsion contribution to magnetic helicity while writhing number provides a good proxy. Hence, by the algebraic definition of writhe based on crossing numbers, we show that the estimated values of writhe based on image analysis provide reliable information for the exact values of helicity. We also show that magnetic energy is linearly related to helicity, and the effect of the confinement of magnetic field can be expressed in terms of geometric information. These results can find useful application in solar and plasma physics, where braided structures are often present.

Hydrodynamic studies of CNT nanofluids in helical coil heat exchanger

NASA Astrophysics Data System (ADS)

Babita; Sharma, S. K.; Mital Gupta, Shipra; Kumar, Arinjay

2017-12-01

Helical coils are extensively used in several industrial processes such as refrigeration systems, chemical reactors, recovery processes etc to accommodate a large heat transfer area within a smaller space. Nanofluids are getting great attention due to their enhanced heat transfer capability. In heat transfer equipments, pressure drop is one of the major factors of consideration for pumping power calculations. So, the present work is aimed to study hydrodynamics of CNT nanofluids in helical coils. In this study, pressure drop characteristics of CNT nanofluid flowing inside horizontal helical coils are investigated experimentally. The helical coil to tube diameter was varied from 11.71 to 27.34 keeping pitch of the helical coil constant. Double distilled water was used as basefluid. SDBS and GA surfactants were added to stablilize CNT nanofluids. The volumetric fraction of CNT nanofluid was varied from 0.003 vol% to 0.051 vol%. From the experimental data, it was analyzed that the friction factor in helical coils is greater than that of straight tubes. Concentration of CNT in nanofluids also has a significant influence on the pressure drop/friction factor of helical coils. At a constant concentration of CNT, decreasing helical coil to tube diameter from 27.24 to 11.71, fanning friction factor of helical coil; f c increases for a constant value of p/d t. This increase in the value of fanning friction factor can be attributed to the secondary flow of CNT nanofluid in helical coils.

N =4 supergravity next-to-maximally-helicity-violating six-point one-loop amplitude

NASA Astrophysics Data System (ADS)

Dunbar, David C.; Perkins, Warren B.

2016-12-01

We construct the six-point, next-to-maximally-helicity-violating one-loop amplitude in N =4 supergravity using unitarity and recursion. The use of recursion requires the introduction of rational descendants of the cut-constructible pieces of the amplitude and the computation of the nonstandard factorization terms arising from the loop integrals.

Swellix: a computational tool to explore RNA conformational space.

PubMed

Sloat, Nathan; Liu, Jui-Wen; Schroeder, Susan J

2017-11-21

The sequence of nucleotides in an RNA determines the possible base pairs for an RNA fold and thus also determines the overall shape and function of an RNA. The Swellix program presented here combines a helix abstraction with a combinatorial approach to the RNA folding problem in order to compute all possible non-pseudoknotted RNA structures for RNA sequences. The Swellix program builds on the Crumple program and can include experimental constraints on global RNA structures such as the minimum number and lengths of helices from crystallography, cryoelectron microscopy, or in vivo crosslinking and chemical probing methods. The conceptual advance in Swellix is to count helices and generate all possible combinations of helices rather than counting and combining base pairs. Swellix bundles similar helices and includes improvements in memory use and efficient parallelization. Biological applications of Swellix are demonstrated by computing the reduction in conformational space and entropy due to naturally modified nucleotides in tRNA sequences and by motif searches in Human Endogenous Retroviral (HERV) RNA sequences. The Swellix motif search reveals occurrences of protein and drug binding motifs in the HERV RNA ensemble that do not occur in minimum free energy or centroid predicted structures. Swellix presents significant improvements over Crumple in terms of efficiency and memory use. The efficient parallelization of Swellix enables the computation of sequences as long as 418 nucleotides with sufficient experimental constraints. Thus, Swellix provides a practical alternative to free energy minimization tools when multiple structures, kinetically determined structures, or complex RNA-RNA and RNA-protein interactions are present in an RNA folding problem.

Model of driven and decaying magnetic turbulence in a cylinder.

PubMed

Kemel, Koen; Brandenburg, Axel; Ji, Hantao

2011-11-01

Using mean-field theory, we compute the evolution of the magnetic field in a cylinder with outer perfectly conducting boundaries and imposed axial magnetic and electric fields. The thus injected magnetic helicity in the system can be redistributed by magnetic helicity fluxes down the gradient of the local current helicity of the small-scale magnetic field. A weak reversal of the axial magnetic field is found to be a consequence of the magnetic helicity flux in the system. Such fluxes are known to alleviate so-called catastrophic quenching of the α effect in astrophysical applications. A stronger field reversal can be obtained if there is also a significant kinetic α effect. Application to the reversed field pinch in plasma confinement devices is discussed.

Comparison of Radiation Dose and Image Quality of Triple-Rule-Out Computed Tomography Angiography Between Conventional Helical Scanning and a Strategy Incorporating Sequential Scanning

PubMed Central

Manheimer, Eric D.; Peters, M. Robert; Wolff, Steven D.; Qureshi, Mehreen A.; Atluri, Prashanth; Pearson, Gregory D.N.; Einstein, Andrew J.

2011-01-01

Triple-rule-out computed tomography angiography (TRO CTA), performed to evaluate the coronary arteries, pulmonary arteries, and thoracic aorta, has been associated with high radiation exposure. Utilization of sequential scanning for coronary computed tomography angiography (CCTA) reduces radiation dose. The application of sequential scanning to TRO CTA is much less well defined. We analyzed radiation dose and image quality from TRO CTA performed in a single outpatient center, comparing scans from a period during which helical scanning with electrocardiographically controlled tube current modulation was used for all patients (n=35) and after adoption of a strategy incorporating sequential scanning whenever appropriate (n=35). Sequential scanning was able to be employed in 86% of cases. The sequential-if-appropriate strategy, compared to the helical-only strategy, was associated with a 61.6% dose decrease (mean dose-length product [DLP] of 439 mGy×cm vs 1144 mGy×cm and mean effective dose of 7.5 mSv vs 19.4 mSv, respectively, p<0.0001). Similarly, there was a 71.5% dose reduction among 30 patients scanned with the sequential protocol compared to 40 patients scanned with the helical protocol under either strategy (326 mGy×cm vs 1141 mGy×cm and 5.5 mSv vs 19.4 mSv, respectively, p<0.0001). Although image quality did not differ between strategies, there was a non-statistically significant trend towards better quality in the sequential protocol compared to the helical protocol. In conclusion, approaching TRO CTA with a diagnostic strategy of sequential scanning as appropriate offers a marked reduction in radiation dose while maintaining image quality. PMID:21306693

Implementation of dispersion-free slow acoustic wave propagation and phase engineering with helical-structured metamaterials

PubMed Central

Zhu, Xuefeng; Li, Kun; Zhang, Peng; Zhu, Jie; Zhang, Jintao; Tian, Chao; Liu, Shengchun

2016-01-01

The ability to slow down wave propagation in materials has attracted significant research interest. A successful solution will give rise to manageable enhanced wave–matter interaction, freewheeling phase engineering and spatial compression of wave signals. The existing methods are typically associated with constructing dispersive materials or structures with local resonators, thus resulting in unavoidable distortion of waveforms. Here we show that, with helical-structured acoustic metamaterials, it is now possible to implement dispersion-free sound deceleration. The helical-structured metamaterials present a non-dispersive high effective refractive index that is tunable through adjusting the helicity of structures, while the wavefront revolution plays a dominant role in reducing the group velocity. Finally, we numerically and experimentally demonstrate that the helical-structured metamaterials with designed inhomogeneous unit cells can turn a normally incident plane wave into a self-accelerating beam on the prescribed parabolic trajectory. The helical-structured metamaterials will have profound impact to applications in explorations of slow wave physics. PMID:27198887

Helical Axis Data Visualization and Analysis of the Knee Joint Articulation.

PubMed

Millán Vaquero, Ricardo Manuel; Vais, Alexander; Dean Lynch, Sean; Rzepecki, Jan; Friese, Karl-Ingo; Hurschler, Christof; Wolter, Franz-Erich

2016-09-01

We present processing methods and visualization techniques for accurately characterizing and interpreting kinematical data of flexion-extension motion of the knee joint based on helical axes. We make use of the Lie group of rigid body motions and particularly its Lie algebra for a natural representation of motion sequences. This allows to analyze and compute the finite helical axis (FHA) and instantaneous helical axis (IHA) in a unified way without redundant degrees of freedom or singularities. A polynomial fitting based on Legendre polynomials within the Lie algebra is applied to provide a smooth description of a given discrete knee motion sequence which is essential for obtaining stable instantaneous helical axes for further analysis. Moreover, this allows for an efficient overall similarity comparison across several motion sequences in order to differentiate among several cases. Our approach combines a specifically designed patient-specific three-dimensional visualization basing on the processed helical axes information and incorporating computed tomography (CT) scans for an intuitive interpretation of the axes and their geometrical relation with respect to the knee joint anatomy. In addition, in the context of the study of diseases affecting the musculoskeletal articulation, we propose to integrate the above tools into a multiscale framework for exploring related data sets distributed across multiple spatial scales. We demonstrate the utility of our methods, exemplarily processing a collection of motion sequences acquired from experimental data involving several surgery techniques. Our approach enables an accurate analysis, visualization and comparison of knee joint articulation, contributing to the evaluation and diagnosis in medical applications.

Transmembrane helices containing a charged arginine are thermodynamically stable.

PubMed

Ulmschneider, Martin B; Ulmschneider, Jakob P; Freites, J Alfredo; von Heijne, Gunnar; Tobias, Douglas J; White, Stephen H

2017-10-01

Hydrophobic amino acids are abundant in transmembrane (TM) helices of membrane proteins. Charged residues are sparse, apparently due to the unfavorable energetic cost of partitioning charges into nonpolar phases. Nevertheless, conserved arginine residues within TM helices regulate vital functions, such as ion channel voltage gating and integrin receptor inactivation. The energetic cost of arginine in various positions along hydrophobic helices has been controversial. Potential of mean force (PMF) calculations from atomistic molecular dynamics simulations predict very large energetic penalties, while in vitro experiments with Sec61 translocons indicate much smaller penalties, even for arginine in the center of hydrophobic TM helices. Resolution of this conflict has proved difficult, because the in vitro assay utilizes the complex Sec61 translocon, while the PMF calculations rely on the choice of simulation system and reaction coordinate. Here we present the results of computational and experimental studies that permit direct comparison with the Sec61 translocon results. We find that the Sec61 translocon mediates less efficient membrane insertion of Arg-containing TM helices compared with our computational and experimental bilayer-insertion results. In the simulations, a combination of arginine snorkeling, bilayer deformation, and peptide tilting is sufficient to lower the penalty of Arg insertion to an extent such that a hydrophobic TM helix with a central Arg residue readily inserts into a model membrane. Less favorable insertion by the translocon may be due to the decreased fluidity of the endoplasmic reticulum (ER) membrane compared with pure palmitoyloleoyl-phosphocholine (POPC). Nevertheless, our results provide an explanation for the differences between PMF- and experiment-based penalties for Arg burial.

Finite element analysis of helical flows in human aortic arch: A novel index

PubMed Central

Lee, Cheng-Hung; Liu, Kuo-Sheng; Jhong, Guan-Heng; Liu, Shih-Jung; Hsu, Ming-Yi; Wang, Chao-Jan; Hung, Kuo-Chun

2014-01-01

This study investigates the helical secondary flows in the aortic arch using finite element analysis. The relationship between helical flow and the configuration of the aorta in patients of whose three-dimensional images constructed from computed tomography scans was examined. A finite element model of the pressurized root, arch, and supra-aortic vessels was developed to simulate the pattern of helical secondary flows. Calculations indicate that most of the helical secondary flow was formed in the ascending aorta. Angle α between the zero reference point and the aortic ostium (correlation coefficient (r) = −0.851, P = 0.001), the dispersion index of the cross section of the ascending (r = 0.683, P = 0.021) and descending aorta (r = 0.732, P = 0.010), all correlated closely with the presence of helical flow (P < 0.05). Stepwise multiple linear regression analysis confirmed angel α to be independently associated with the helical flow pattern in therein (standardized coefficients = −0.721, P = 0.023). The presence of helical fluid motion based on the atherosclerotic risks of patients, including those associated with diabetes, hypertension, hyperlipidemia, or renal insufficiency, was also evaluated. Numerical simulation of the flow patterns in aortas incorporating the atherosclerotic risks may better explain the mechanism of formation of helical flows and provide insight into causative factors that underlie them. PMID:24803960

Single-pixel computational ghost imaging with helicity-dependent metasurface hologram.

PubMed

Liu, Hong-Chao; Yang, Biao; Guo, Qinghua; Shi, Jinhui; Guan, Chunying; Zheng, Guoxing; Mühlenbernd, Holger; Li, Guixin; Zentgraf, Thomas; Zhang, Shuang

2017-09-01

Different optical imaging techniques are based on different characteristics of light. By controlling the abrupt phase discontinuities with different polarized incident light, a metasurface can host a phase-only and helicity-dependent hologram. In contrast, ghost imaging (GI) is an indirect imaging modality to retrieve the object information from the correlation of the light intensity fluctuations. We report single-pixel computational GI with a high-efficiency reflective metasurface in both simulations and experiments. Playing a fascinating role in switching the GI target with different polarized light, the metasurface hologram generates helicity-dependent reconstructed ghost images and successfully introduces an additional security lock in a proposed optical encryption scheme based on the GI. The robustness of our encryption scheme is further verified with the vulnerability test. Building the first bridge between the metasurface hologram and the GI, our work paves the way to integrate their applications in the fields of optical communications, imaging technology, and security.

Single-pixel computational ghost imaging with helicity-dependent metasurface hologram

PubMed Central

Liu, Hong-Chao; Yang, Biao; Guo, Qinghua; Shi, Jinhui; Guan, Chunying; Zheng, Guoxing; Mühlenbernd, Holger; Li, Guixin; Zentgraf, Thomas; Zhang, Shuang

2017-01-01

Different optical imaging techniques are based on different characteristics of light. By controlling the abrupt phase discontinuities with different polarized incident light, a metasurface can host a phase-only and helicity-dependent hologram. In contrast, ghost imaging (GI) is an indirect imaging modality to retrieve the object information from the correlation of the light intensity fluctuations. We report single-pixel computational GI with a high-efficiency reflective metasurface in both simulations and experiments. Playing a fascinating role in switching the GI target with different polarized light, the metasurface hologram generates helicity-dependent reconstructed ghost images and successfully introduces an additional security lock in a proposed optical encryption scheme based on the GI. The robustness of our encryption scheme is further verified with the vulnerability test. Building the first bridge between the metasurface hologram and the GI, our work paves the way to integrate their applications in the fields of optical communications, imaging technology, and security. PMID:28913433

Recent advances in engineering science; Proceedings of the A. Cemal Eringen Symposium, University of California, Berkeley, June 20-22, 1988

NASA Technical Reports Server (NTRS)

Koh, Severino L. (Editor); Speziale, Charles G. (Editor)

1989-01-01

Various papers on recent advances in engineering science are presented. Some individual topics addressed include: advances in adaptive methods in computational fluid mechanics, mixtures of two medicomorphic materials, computer tests of rubber elasticity, shear bands in isotropic micropolar elastic materials, nonlinear surface wave and resonator effects in magnetostrictive crystals, simulation of electrically enhanced fibrous filtration, plasticity theory of granular materials, dynamics of viscoelastic media with internal oscillators, postcritical behavior of a cantilever bar, boundary value problems in nonlocal elasticity, stability of flexible structures with random parameters, electromagnetic tornadoes in earth's ionosphere and magnetosphere, helicity fluctuations and the energy cascade in turbulence, mechanics of interfacial zones in bonded materials, propagation of a normal shock in a varying area duct, analytical mechanics of fracture and fatigue.

Observation of enhanced radial transport of energetic ion due to energetic particle mode destabilized by helically-trapped energetic ion in the Large Helical Device

NASA Astrophysics Data System (ADS)

Ogawa, K.; Isobe, M.; Kawase, H.; Nishitani, T.; Seki, R.; Osakabe, M.; LHD Experiment Group

2018-04-01

A deuterium experiment was initiated to achieve higher-temperature and higher-density plasmas in March 2017 in the Large Helical Device (LHD). The central ion temperature notably increases compared with that in hydrogen experiments. However, an energetic particle mode called the helically-trapped energetic-ion-driven resistive interchange (EIC) mode is often excited by intensive perpendicular neutral beam injections on high ion-temperature discharges. The mode leads to significant decrease of the ion temperature or to limiting the sustainment of the high ion-temperature state. To understand the effect of EIC on the energetic ion confinement, the radial transport of energetic ions is studied by means of the neutron flux monitor and vertical neutron camera newly installed on the LHD. Decreases of the line-integrated neutron profile in core channels show that helically-trapped energetic ions are lost from the plasma.

Deformation of a helical filament by flow and electric or magnetic fields

NASA Astrophysics Data System (ADS)

Kim, Munju; Powers, Thomas R.

2005-02-01

Motivated by recent advances in the real-time imaging of fluorescent flagellar filaments in living bacteria [Turner, Ryu, and Berg, J. Bacteriol. 82, 2793 (2000)], we compute the deformation of a helical elastic filament due to flow and external magnetic or high-frequency electric fields. Two cases of deformation due to hydrodynamic drag are considered: the compression of a filament rotated by a stationary motor and the extension of a stationary filament due to flow along the helical axis. We use Kirchhoff rod theory for the filament, and work to linear order in the deflection. Hydrodynamic forces are described first by resistive-force theory, and then for comparison by the more accurate slender-body theory. For helices with a short pitch, the deflection in axial flow predicted by slender-body theory is significantly smaller than that computed with resistive-force theory. Therefore, our estimate of the bending stiffness of a flagellar filament is smaller than that of previous workers. In our calculation of the deformation of a polarizable helix in an external field, we show that the problem is equivalent to the classical case of a helix deformed by forces applied only at the ends.

Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent.

PubMed

Peter, Emanuel K; Shea, Joan-Emma; Pivkin, Igor V

2016-05-14

In this paper, we present a coarse replica exchange molecular dynamics (REMD) approach, based on kinetic Monte Carlo (kMC). The new development significantly can reduce the amount of replicas and the computational cost needed to enhance sampling in protein simulations. We introduce 2 different methods which primarily differ in the exchange scheme between the parallel ensembles. We apply this approach on folding of 2 different β-stranded peptides: the C-terminal β-hairpin fragment of GB1 and TrpZip4. Additionally, we use the new simulation technique to study the folding of TrpCage, a small fast folding α-helical peptide. Subsequently, we apply the new methodology on conformation changes in signaling of the light-oxygen voltage (LOV) sensitive domain from Avena sativa (AsLOV2). Our results agree well with data reported in the literature. In simulations of dialanine, we compare the statistical sampling of the 2 techniques with conventional REMD and analyze their performance. The new techniques can reduce the computational cost of REMD significantly and can be used in enhanced sampling simulations of biomolecules.

Deformation of a soft helical filament in an axial flow at low Reynolds number.

PubMed

Jawed, Mohammad K; Reis, Pedro M

2016-02-14

We perform a numerical investigation of the deformation of a rotating helical filament subjected to an axial flow, under low Reynolds number conditions, motivated by the propulsion of bacteria using helical flagella. Given its slenderness, the helical rod is intrinsically soft and deforms due to the interplay between elastic forces and hydrodynamic loading. We make use of a previously developed and experimentally validated computational tool framework that models the elasticity of the filament using the discrete elastic rod method and the fluid forces are treated using Lighthill's slender body theory. Under axial flow, and in the absence of rotation, the initially helical rod is extended. Above a critical flow speed its configuration comprises a straight portion connected to a localized helix near the free end. When the rod is also rotated about its helical axis, propulsion is only possible in a finite range of angular velocity, with an upper bound that is limited by buckling of the soft helix arising due to viscous stresses. A systematic exploration of the parameter space allows us to quantify regimes for successful propulsion for a number of specific bacteria.

Influence of drill helical direction on exit damage development in drilling carbon fiber reinforced plastic

NASA Astrophysics Data System (ADS)

Bai, Y.; Jia, Z. Y.; Wang, F. J.; Fu, R.; Guo, H. B.; Cheng, D.; Zhang, B. Y.

2017-06-01

Drilling is inevitable for CFRP components’ assembling process in the aviation industry. The exit damage frequently occurs and affects the load carrying capacity of components. Consequently, it is of great urgency to enhance drilling exit quality on CFRP components. The article aims to guide the reasonable choice of drill helical direction and effectively reduce exit damage. Exit observation experiments are carried out with left-hand helical, right-hand helical and straight one-shot drill drilling T800S CFRP laminates separately. The development rules of exit damage and delamination factor curves are obtained. Combined with loading conditions and fracture modes of push-out burrs, and thrust force curves, the influence of drill helical direction on exit damage development is derived. It is found that the main fracture modes for left-hand helical, right-hand helical, and straight one-shot drill are mode I, extrusive fracture, mode III respectively. Among them, mode III has the least effect on exit damage development. Meanwhile, the changing rate of thrust force is relative slow for right-hand helical and straight one-shot drill in the thrust force increasing phase of stage II, which is disadvantaged for exit damage development. Therefore, straight one-shot drill’s exit quality is the best.

Computer-aided diagnosis workstation and telemedicine network system for chest diagnosis based on multislice CT images

NASA Astrophysics Data System (ADS)

Satoh, Hitoshi; Niki, Noboru; Eguchi, Kenji; Ohmatsu, Hironobu; Kakinuma, Ryutaru; Moriyama, Noriyuki

2009-02-01

Mass screening based on multi-helical CT images requires a considerable number of images to be read. It is this time-consuming step that makes the use of helical CT for mass screening impractical at present. Moreover, the doctor who diagnoses a medical image is insufficient in Japan. To overcome these problems, we have provided diagnostic assistance methods to medical screening specialists by developing a lung cancer screening algorithm that automatically detects suspected lung cancers in helical CT images, a coronary artery calcification screening algorithm that automatically detects suspected coronary artery calcification and a vertebra body analysis algorithm for quantitative evaluation of osteoporosis likelihood by using helical CT scanner for the lung cancer mass screening. The functions to observe suspicious shadow in detail are provided in computer-aided diagnosis workstation with these screening algorithms. We also have developed the telemedicine network by using Web medical image conference system with the security improvement of images transmission, Biometric fingerprint authentication system and Biometric face authentication system. Biometric face authentication used on site of telemedicine makes "Encryption of file" and "Success in login" effective. As a result, patients' private information is protected. We can share the screen of Web medical image conference system from two or more web conference terminals at the same time. An opinion can be exchanged mutually by using a camera and a microphone that are connected with workstation. Based on these diagnostic assistance methods, we have developed a new computer-aided workstation and a new telemedicine network that can display suspected lesions three-dimensionally in a short time. The results of this study indicate that our radiological information system without film by using computer-aided diagnosis workstation and our telemedicine network system can increase diagnostic speed, diagnostic accuracy and security improvement of medical information.

Take Away Body Parts! An Investigation into the Use of 3D-Printed Anatomical Models in Undergraduate Anatomy Education

ERIC Educational Resources Information Center

Smith, Claire F.; Tollemache, Nicholas; Covill, Derek; Johnston, Malcolm

2018-01-01

Understanding the three-dimensional (3D) nature of the human form is imperative for effective medical practice and the emergence of 3D printing creates numerous opportunities to enhance aspects of medical and healthcare training. A recently deceased, un-embalmed donor was scanned through high-resolution computed tomography. The scan data underwent…

Spin-dependent post-Newtonian parameters from EMRI computation in Kerr background

NASA Astrophysics Data System (ADS)

Friedman, John; Le Tiec, Alexandre; Shah, Abhay

2013-04-01

Because the extreme mass-ratio inspiral (EMRI) approximation is accurate to all orders in v/c, it can be used to find high order post-Newtonian parameters that are not yet analytically accessible. We report here on progress in computing spin-dependent, conservative, post-Newtonian parameters from a radiation-gauge computation for a particle in circular orbit in a family of Kerr geometries. For a particle with 4-velocity u^α= U k^α, with k^α the helical Killing vector of the perturbed spacetime, the renormalized perturbation δU, when written as a function of the particle's angular velocity, is invariant under gauge transformations generated by helically symmetric vectors. The EMRI computations are done in a modified radiation gauge. Extracted parameters are compared to previously known and newly computed spin-dependent post-Newtonian terms. This work is modeled on earlier computations by Blanchet, Detweiler, Le Tiec and Whiting of spin-independent terms for a particle in circular orbit in a Schwarzschild geometry.

Temporal resolution measurement of 128-slice dual source and 320-row area detector computed tomography scanners in helical acquisition mode using the impulse method.

PubMed

Hara, Takanori; Urikura, Atsushi; Ichikawa, Katsuhiro; Hoshino, Takashi; Nishimaru, Eiji; Niwa, Shinji

2016-04-01

To analyse the temporal resolution (TR) of modern computed tomography (CT) scanners using the impulse method, and assess the actual maximum TR at respective helical acquisition modes. To assess the actual TR of helical acquisition modes of a 128-slice dual source CT (DSCT) scanner and a 320-row area detector CT (ADCT) scanner, we assessed the TRs of various acquisition combinations of a pitch factor (P) and gantry rotation time (R). The TR of the helical acquisition modes for the 128-slice DSCT scanner continuously improved with a shorter gantry rotation time and greater pitch factor. However, for the 320-row ADCT scanner, the TR with a pitch factor of <1.0 was almost equal to the gantry rotation time, whereas with pitch factor of >1.0, it was approximately one half of the gantry rotation time. The maximum TR values of single- and dual-source helical acquisition modes for the 128-slice DSCT scanner were 0.138 (R/P=0.285/1.5) and 0.074s (R/P=0.285/3.2), and the maximum TR values of the 64×0.5- and 160×0.5-mm detector configurations of the helical acquisition modes for the 320-row ADCT scanner were 0.120 (R/P=0.275/1.375) and 0.195s (R/P=0.3/0.6), respectively. Because the TR of a CT scanner is not accurately depicted in the specifications of the individual scanner, appropriate acquisition conditions should be determined based on the actual TR measurement. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

The National Lung Screening Trial (NLST) | Division of Cancer Prevention

Cancer.gov

The National Lung Screening Trial (NLST) compared two ways of detecting lung cancer: low-dose helical computed tomography (CT) and standard chest X-ray. Both chest X-rays and low-dose helical CT scans have been used to find lung cancer early, but the effects of these screening techniques on lung cancer mortality rates had not been determined. NLST enrolled 53,454 current or

Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding.

PubMed

Isvoran, Adriana; Craciun, Dana; Martiny, Virginie; Sperandio, Olivier; Miteva, Maria A

2013-06-14

Protein-Protein Interactions (PPIs) are key for many cellular processes. The characterization of PPI interfaces and the prediction of putative ligand binding sites and hot spot residues are essential to design efficient small-molecule modulators of PPI. Terphenyl and its derivatives are small organic molecules known to mimic one face of protein-binding alpha-helical peptides. In this work we focus on several PPIs mediated by alpha-helical peptides. We performed computational sequence- and structure-based analyses in order to evaluate several key physicochemical and surface properties of proteins known to interact with alpha-helical peptides and/or terphenyl and its derivatives. Sequence-based analysis revealed low sequence identity between some of the analyzed proteins binding alpha-helical peptides. Structure-based analysis was performed to calculate the volume, the fractal dimension roughness and the hydrophobicity of the binding regions. Besides the overall hydrophobic character of the binding pockets, some specificities were detected. We showed that the hydrophobicity is not uniformly distributed in different alpha-helix binding pockets that can help to identify key hydrophobic hot spots. The presence of hydrophobic cavities at the protein surface with a more complex shape than the entire protein surface seems to be an important property related to the ability of proteins to bind alpha-helical peptides and low molecular weight mimetics. Characterization of similarities and specificities of PPI binding sites can be helpful for further development of small molecules targeting alpha-helix binding proteins.

Flow-through polymerase chain reaction inside a seamless 3D helical microreactor fabricated utilizing a silicone tube and a paraffin mold.

PubMed

Wu, Wenming; Trinh, Kieu The Loan; Lee, Nae Yoon

2015-03-07

We introduce a new strategy for fabricating a seamless three-dimensional (3D) helical microreactor utilizing a silicone tube and a paraffin mold. With this method, various shapes and sizes of 3D helical microreactors were fabricated, and a complicated and laborious photolithographic process, or 3D printing, was eliminated. With dramatically enhanced portability at a significantly reduced fabrication cost, such a device can be considered to be the simplest microreactor, developed to date, for performing the flow-through polymerase chain reaction (PCR).

Molecular dynamics of individual alpha-helices of bacteriorhodopsin in dimyristol phosphatidylocholine. I. Structure and dynamics.

PubMed

Woolf, T B

1997-11-01

Understanding the role of the lipid bilayer in membrane protein structure and dynamics is needed for tertiary structure determination methods. However, the molecular details are not well understood. Molecular dynamics computer calculations can provide insight into these molecular details of protein:lipid interactions. This paper reports on 10 simulations of individual alpha-helices in explicit lipid bilayers. The 10 helices were selected from the bacteriorhodopsin structure as representative alpha-helical membrane folding components. The bilayer is constructed of dimyristoyl phosphatidylcholine molecules. The only major difference between simulations is the primary sequence of the alpha-helix. The results show dramatic differences in motional behavior between alpha-helices. For example, helix A has much smaller root-mean-squared deviations than does helix D. This can be understood in terms of the presence of aromatic residues at the interface for helix A that are not present in helix D. Additional motions are possible for the helices that contain proline side chains relative to other amino acids. The results thus provide insight into the types of motion and the average structures possible for helices within the bilayer setting and demonstrate the strength of molecular simulations in providing molecular details that are not directly visualized in experiments.

"Corkscrew" vs. "tank-treading" propulsion of spirochetes.

NASA Astrophysics Data System (ADS)

Leshansky, Alexander; Kenneth, Oded

2010-11-01

We consider the potential mechanism of spirochete propulsion driven by twirling of the outer cell surface coupled to counter-rotation of the helical body. We construct a proper slender body theory and use particle-based numerical approach allowing for modeling of locomotion in heterogeneous viscous environment. Depending on the helical pitch angle, two distinct propulsion gaits are identified: corkscrew-like locomotion, similar to propulsion powered by rotating helical flagellum, and surface tank-treading mode relying on hydrodynamic self-interaction of curved helical coils. The latter mechanism is closely related to the considered earlier propulsion of Purcell's toroidal swimmer (Kenneth and Leshansky, Phys. Fluids 20, 063104, 2008). Significant augmentation of corkscrew propulsion gait in heterogeneous viscous medium anticipated from the numerical model is in accord with experimental observations of enhanced spirochete propulsion in polymer gels.

Computational model for simulation of sequences of helicity and angular momentum transfer in turbid tissue-like scattering medium (Conference Presentation)

NASA Astrophysics Data System (ADS)

Doronin, Alexander; Meglinski, Igor

2017-02-01

Current report considers development of a unified Monte Carlo (MC) -based computational model for simulation of propagation of Laguerre-Gaussian (LG) beams in turbid tissue-like scattering medium. With a primary goal to proof the concept of using complex light for tissue diagnosis we explore propagation of LG beams in comparison with Gaussian beams for both linear and circular polarization. MC simulations of radially and azimuthally polarized LG beams in turbid media have been performed, classic phenomena such as preservation of the orbital angular momentum, optical memory and helicity flip are observed, detailed comparison is presented and discussed.

Initial experience in treating lung cancer with helical tomotherapy

PubMed Central

Yartsev, S; Dar, AR; Woodford, C; Wong, E; Bauman, G; Van Dyk, J

2007-01-01

Helical tomotherapy is a new form of image-guided radiation therapy that combines features of a linear accelerator and a helical computed tomography (CT) scanner. Megavoltage CT (MVCT) data allow the verification and correction of patient setup on the couch by comparison and image registration with the kilovoltage CT multi-slice images used for treatment planning. An 84-year-old male patient with Stage III bulky non-small cell lung cancer was treated on a Hi-ART II tomotherapy unit. Daily MVCT imaging was useful for setup corrections and signaled the need to adapt the delivery plan when the patient’s anatomy changed significantly. PMID:21614260

Beyond textbook illustrations: Hand-held models of ordered DNA and protein structures as 3D supplements to enhance student learning of helical biopolymers.

PubMed

Jittivadhna, Karnyupha; Ruenwongsa, Pintip; Panijpan, Bhinyo

2010-11-01

Textbook illustrations of 3D biopolymers on printed paper, regardless of how detailed and colorful, suffer from its two-dimensionality. For beginners, computer screen display of skeletal models of biopolymers and their animation usually does not provide the at-a-glance 3D perception and details, which can be done by good hand-held models. Here, we report a study on how our students learned more from using our ordered DNA and protein models assembled from colored computer-printouts on transparency film sheets that have useful structural details. Our models (reported in BAMBED 2009), having certain distinguished features, helped our students to grasp various aspects of these biopolymers that they usually find difficult. Quantitative and qualitative learning data from this study are reported. Copyright © 2010 International Union of Biochemistry and Molecular Biology, Inc.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reigel, M. M.; Fowley, M. D.; Pickenheim, B. R.

A soft metal with low wear resistance (6000 series aluminum), was used to minimize run time while maximizing wear rate. Two paddle configurations were tested, with the first four paddles after the augers replaced by the wear paddles. The first configuration was all flat paddles, with the first paddle not aligned with the augers and is consistent with present SPF mixer. The second configuration had helical paddles for the first three stages after the augers and a flat paddle at the fourth stage. The first helical paddle was aligned with the auger flight for the second configuration. The all flatmore » paddle configuration wear rate was approximately double the wear rate of the helical paddles for the first two sets of paddles after the augers. For both configurations, there was little or no wear on the third and fourth paddle sets based on mass change, indicating that the fully wetted premix materials are much less abrasive than the un-wetted or partially wetted premix. Additionally, inspection of the wear surface of the paddles at higher magnification showed the flat paddles were worn much more than the helical and is consistent with the wear rates. Aligning the auger discharge flight with the first set of helical paddles was effective in reducing the wear rate as compared to the flat paddle configuration. Changing the paddle configuration from flat to helical resulted in a slight increase in rheological properties. Although, both tests produced grout-like material that is within the processing rage of the SPF, it should be noted that cement is not included in the premix and water was used rather than salt solution, which does affect the rheology of the fresh grout. The higher rheological properties from the helical wear test are most likely due to the reduced number of shearing paddles in the mixer. In addition, there is variation in the rheological data for each wear test. This is most likely due to the way that the dry feeds enter the mixer from the dry feeder. The premix is discharged from the hopper in an unsteady fashion, where irregular sized clumps were observed leaving the discharge of the auger, though the auger speed is constant.« less

Robust integer and fractional helical modes in the quantum Hall effect

NASA Astrophysics Data System (ADS)

Ronen, Yuval; Cohen, Yonatan; Banitt, Daniel; Heiblum, Moty; Umansky, Vladimir

2018-04-01

Electronic systems harboring one-dimensional helical modes, where spin and momentum are locked, have lately become an important field of their own. When coupled to a conventional superconductor, such systems are expected to manifest topological superconductivity; a unique phase hosting exotic Majorana zero modes. Even more interesting are fractional helical modes, yet to be observed, which open the route for realizing generalized parafermions. Possessing non-Abelian exchange statistics, these quasiparticles may serve as building blocks in topological quantum computing. Here, we present a new approach to form protected one-dimensional helical edge modes in the quantum Hall regime. The novel platform is based on a carefully designed double-quantum-well structure in a GaAs-based system hosting two electronic sub-bands; each tuned to the quantum Hall effect regime. By electrostatic gating of different areas of the structure, counter-propagating integer, as well as fractional, edge modes with opposite spins are formed. We demonstrate that, due to spin protection, these helical modes remain ballistic over large distances. In addition to the formation of helical modes, this platform can serve as a rich playground for artificial induction of compounded fractional edge modes, and for construction of edge-mode-based interferometers.

Characteristics of Helical Flow through Neck Cutoffs

NASA Astrophysics Data System (ADS)

Richards, D.; Konsoer, K. M.; Turnipseed, C.; Willson, C. S.

2017-12-01

Meander cutoffs and oxbows lakes are a ubiquitous feature of riverine landscapes yet there is a paucity of detailed investigations concentrated on the three-dimensional flow structure through evolving neck cutoffs. The purpose of this research is to investigate and characterize helical flow through neck cutoffs with two different planform configurations: elongate meander loops and serpentine loops. Three-dimensional velocity measurements was collected with an acoustic Doppler current profiler for five cutoffs on the White River, Arkansas. Pronounced helical flow was found through all elongate loop cutoff sites, formed from the balance between centrifugal force resulting from the curving of flow through the cutoff channel and pressure gradient force resulting from water surface super-elevation between primary flow and flow at the entrance and exit of the abandoned loop. The sense of motion of the helical flow caused near-surface fluid to travel outward toward the abandoned loop while near-bed fluid was redirected toward the downstream channel. Another characteristic of the helical flow structure for elongate loop cutoffs was the reversal of helical flow over a relatively short distance, causing patterns of secondary circulation that differed from typical patterns observed through curved channels with point bars. Lastly, helical flow was revealed within zones of strong flow recirculation, enhanced by an exchange of streamwise momentum between shear layers.

Membrane-spanning α-helical barrels as tractable protein-design targets.

PubMed

Niitsu, Ai; Heal, Jack W; Fauland, Kerstin; Thomson, Andrew R; Woolfson, Derek N

2017-08-05

The rational ( de novo ) design of membrane-spanning proteins lags behind that for water-soluble globular proteins. This is due to gaps in our knowledge of membrane-protein structure, and experimental difficulties in studying such proteins compared to water-soluble counterparts. One limiting factor is the small number of experimentally determined three-dimensional structures for transmembrane proteins. By contrast, many tens of thousands of globular protein structures provide a rich source of 'scaffolds' for protein design, and the means to garner sequence-to-structure relationships to guide the design process. The α-helical coiled coil is a protein-structure element found in both globular and membrane proteins, where it cements a variety of helix-helix interactions and helical bundles. Our deep understanding of coiled coils has enabled a large number of successful de novo designs. For one class, the α-helical barrels-that is, symmetric bundles of five or more helices with central accessible channels-there are both water-soluble and membrane-spanning examples. Recent computational designs of water-soluble α-helical barrels with five to seven helices have advanced the design field considerably. Here we identify and classify analogous and more complicated membrane-spanning α-helical barrels from the Protein Data Bank. These provide tantalizing but tractable targets for protein engineering and de novo protein design.This article is part of the themed issue 'Membrane pores: from structure and assembly, to medicine and technology'. © 2017 The Author(s).

Unsteady numerical analysis of solid-liquid two-phase flow in stirred tank with double helical ribbon impeller

NASA Astrophysics Data System (ADS)

Bai, He; Chen, Xiangshan; Zhao, Guangyu; Xiao, Chenglei; Li, Chen; Zhong, Cheng; Chen, Yu

2017-08-01

In order to enhance the mixing process of soil contaminated by oil and water, one kind of double helical ribbon (DHR) impeller was developed. In this study, the unsteady simulation analysis of solid-liquid two-phase flow in stirring tank with DHR impeller was conducted by the the computational fluid dynamics and the multi-reference frame (MRF) method. It was found that at 0-3.0 s stage, the rate of liquid was greater than the rate of solid particles, while the power consumption was 5-6 times more than the smooth operation. The rates of the liquid and the solid particles were almost the same, and the required power was 32 KW at t > 3.0 s. The flow of the solid particles in the tank was a typical axial circle flow, and the dispersed sequence of the solid that was accumulated at the bottom of the tank was: the bottom loop region, the annular region near the wall of the groove and finally the area near axial center. The results show that the DHR impeller was suitable for the mixing of liquid-solid two-phase.

Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

PubMed Central

Nasedkin, Alexandr; Marcellini, Moreno; Religa, Tomasz L.; Freund, Stefan M.; Menzel, Andreas; Fersht, Alan R.; Jemth, Per; van der Spoel, David; Davidsson, Jan

2015-01-01

The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (un)folding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (un)folding reaction has often been questioned. One of the most well studied (un)folding pathways is that of Drosophila melanogaster Engrailed homeodomain (EnHD): this 61-residue protein forms a three helix bundle in the native state and folds via a helical intermediate. Here we used molecular dynamics simulations to derive sample conformations of EnHD in the native, intermediate, and unfolded states and selected the relevant structural clusters by comparing to small/wide angle X-ray scattering data at four different temperatures. The results are corroborated using residual dipolar couplings determined by NMR spectroscopy. Our results agree well with the previously proposed (un)folding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (un)folding intermediate is highly populated at the thermal midpoint in line with the view that this intermediate can be regarded to be the denatured state under physiological conditions. Further, the combination of ensemble structural techniques with MD allows for determination of structures and populations of multiple interconverting structures in solution. PMID:25946337

Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation.

PubMed

Nasedkin, Alexandr; Marcellini, Moreno; Religa, Tomasz L; Freund, Stefan M; Menzel, Andreas; Fersht, Alan R; Jemth, Per; van der Spoel, David; Davidsson, Jan

2015-01-01

The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (un)folding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (un)folding reaction has often been questioned. One of the most well studied (un)folding pathways is that of Drosophila melanogaster Engrailed homeodomain (EnHD): this 61-residue protein forms a three helix bundle in the native state and folds via a helical intermediate. Here we used molecular dynamics simulations to derive sample conformations of EnHD in the native, intermediate, and unfolded states and selected the relevant structural clusters by comparing to small/wide angle X-ray scattering data at four different temperatures. The results are corroborated using residual dipolar couplings determined by NMR spectroscopy. Our results agree well with the previously proposed (un)folding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (un)folding intermediate is highly populated at the thermal midpoint in line with the view that this intermediate can be regarded to be the denatured state under physiological conditions. Further, the combination of ensemble structural techniques with MD allows for determination of structures and populations of multiple interconverting structures in solution.

Helical screw viscometer

DOEpatents

Aubert, J.H.; Chapman, R.N.; Kraynik, A.M.

1983-06-30

A helical screw viscometer for the measurement of the viscosity of Newtonian and non-Newtonian fluids comprising an elongated cylindrical container closed by end caps defining a circular cylindrical cavity within the container, a cylindrical rotor member having a helical screw or ribbon flight carried by the outer periphery thereof rotatably carried within the cavity whereby the fluid to be measured is confined in the cavity filling the space between the rotor and the container wall. The rotor member is supported by axle members journaled in the end caps, one axle extending through one end cap and connectable to a drive source. A pair of longitudinally spaced ports are provided through the wall of the container in communication with the cavity and a differential pressure meter is connected between the ports for measuring the pressure drop caused by the rotation of the helical screw rotor acting on the confined fluid for computing viscosity.

On the validity of the use of a localized approximation for helical beams. I. Formal aspects

NASA Astrophysics Data System (ADS)

Gouesbet, Gérard; André Ambrosio, Leonardo

2018-03-01

The description of an electromagnetic beam for use in light scattering theories may be carried out by using an expansion over vector spherical wave functions with expansion coefficients expressed in terms of Beam Shape Coefficients (BSCs). A celebrated method to evaluate these BSCs has been the use of localized approximations (with several existing variants). We recently established that the use of any existing localized approximation is of limited validity in the case of Bessel and Mathieu beams. In the present paper, we address a warning against the use of any existing localized approximation in the case of helical beams. More specifically, we demonstrate that a procedure used to validate any existing localized approximation fails in the case of helical beams. Numerical computations in a companion paper will confirm that existing localized approximations are of limited validity in the case of helical beams.

Computer simulation of flagellar movement VIII: coordination of dynein by local curvature control can generate helical bending waves.

PubMed

Brokaw, Charles J

2002-10-01

Computer simulations have been carried out with a model flagellum that can bend in three dimensions. A pattern of dynein activation in which regions of dynein activity propagate along each doublet, with a phase shift of approximately 1/9 wavelength between adjacent doublets, will produce a helical bending wave. This pattern can be termed "doublet metachronism." The simulations show that doublet metachronism can arise spontaneously in a model axoneme in which activation of dyneins is controlled locally by the curvature of each outer doublet microtubule. In this model, dyneins operate both as sensors of curvature and as motors. Doublet metachronism and the chirality of the resulting helical bending pattern are regulated by the angular difference between the direction of the moment and sliding produced by dyneins on a doublet and the direction of the controlling curvature for that doublet. A flagellum that is generating a helical bending wave experiences twisting moments when it moves against external viscous resistance. At high viscosities, helical bending will be significantly modified by twist unless the twist resistance is greater than previously estimated. Spontaneous doublet metachronism must be modified or overridden in order for a flagellum to generate the planar bending waves that are required for efficient propulsion of spermatozoa. Planar bending can be achieved with the three-dimensional flagellar model by appropriate specification of the direction of the controlling curvature for each doublet. However, experimental observations indicate that this "hard-wired" solution is not appropriate for real flagella. Copyright 2002 Wiley-Liss, Inc.

Positional preference of proline in alpha-helices.

PubMed Central

Kim, M. K.; Kang, Y. K.

1999-01-01

Conformational free energy calculations have been carried out for proline-containing alanine-based pentadecapeptides with the sequence Ac-(Ala)n-Pro-(Ala)m-NHMe, where n + m = 14, to figure out the positional preference of proline in alpha-helices. The relative free energy of each peptide was calculated by subtracting the free energy of the extended conformation from that of the alpha-helical one, which is used here as a measure of preference. The highest propensity is found for the peptide with proline at the N-terminus (i.e., Ncap + 1 position), and the next propensities are found at Ncap, N' (Ncap - 1), and C' (Ccap + 1) positions. These computed results are reasonably consistent with the positional propensities estimated from X-ray structures of proteins. The breaking in hydrogen bonds around proline is found to play a role in destabilizing alpha-helical conformations, which, however, provides the favored hydration of the corresponding N-H and C=O groups. The highest preference of proline at the beginning of alpha-helix appears to be due to the favored electrostatic and nonbonded energies between two residues preceding proline and the intrinsic stability of alpha-helical conformation of the proline residue itself as well as no disturbance in hydrogen bonds of alpha-helix by proline. The average free energy change for the substitution of Ala by Pro in a alpha-helix is computed to be 4.6 kcal/mol, which is in good agreement with the experimental value of approximately 4 kcal/mol estimated for an oligopeptide dimer and proteins of barnase and T4 lysozyme. PMID:10422838

Helicity-Driven Ratchet Effect Enhanced by Plasmons

NASA Astrophysics Data System (ADS)

Rozhansky, I. V.; Kachorovskii, V. Yu.; Shur, M. S.

2015-06-01

We demonstrate that the ratchet effect—a radiation-induced direct current in periodically modulated structures with built-in asymmetry—is dramatically enhanced in the vicinity of the plasmonic resonances and has a nontrivial polarization dependence. For a circular polarization, the current component, perpendicular to the modulation direction, changes sign with the inversion of the radiation helicity. In the high-mobility structures, this component might increase by several orders of magnitude due to the plasmonic effects and exceed the current component in the modulation direction. Our theory also predicts that in the dirty systems, where the plasma resonances are suppressed, the ratchet current is controlled by the Maxwell relaxation.

The Writhe of Helical Structures in the Solar Corona

NASA Technical Reports Server (NTRS)

Toeroek, T.; Berger, M. A.; Kliem, B.

2010-01-01

Context. Helicity is a fundamental property of magnetic fields, conserved in ideal MHD. In flux rope topology, it consists of twist and writhe helicity. Despite the common occurrence of helical structures in the solar atmosphere, little is known about how their shape relates to the writhe, which fraction of helicity is contained in writhe, and how much helicity is exchanged between twist and writhe when they erupt. Aims. Here we perform a quantitative investigation of these questions relevant for coronal flux ropes. Methods. The decomposition of the writhe of a curve into local and nonlocal components greatly facilitates its computation. We use it to study the relation between writhe and projected S shape of helical curves and to measure writhe and twist in numerical simulations of flux rope instabilities. The results are discussed with regard to filament eruptions and coronal mass ejections (CMEs). Results. (1) We demonstrate that the relation between writhe and projected S shape is not unique in principle, but that the ambiguity does not affect low-lying structures, thus supporting the established empirical rule which associates stable forward (reverse) S shaped structures low in the corona with positive (negative) helicity. (2) Kink-unstable erupting flux ropes are found to transform a far smaller fraction of their twist helicity into writhe helicity than often assumed. (3) Confined flux rope eruptions tend to show stronger writhe at low heights than ejective eruptions (CMEs). This argues against suggestions that the writhing facilitates the rise of the rope through the overlying field. (4) Erupting filaments which are S shaped already before the eruption and keep the sign of their axis writhe (which is expected if field of one chirality dominates the source volume of the eruption), must reverse their S shape in the course of the rise. Implications for the occurrence of the helical kink instability in such events are discussed.

Aerodynamic analysis of a horizontal axis wind turbine by use of helical vortex theory, volume 2: Computer program users manual

NASA Technical Reports Server (NTRS)

Keith, T. G., Jr.; Afjeh, A. A.; Jeng, D. R.; White, J. A.

1985-01-01

A description of a computer program entitled VORTEX that may be used to determine the aerodynamic performance of horizontal axis wind turbines is given. The computer code implements a vortex method from finite span wind theory and determines the induced velocity at the rotor disk by integrating the Biot-Savart law. It is assumed that the trailing helical vortex filaments form a wake of constant diameter (the rigid wake assumption) and travel downstream at the free stream velocity. The program can handle rotors having any number of blades which may be arbitrarily shaped and twisted. Many numerical details associated with the program are presented. A complete listing of the program is provided and all program variables are defined. An example problem illustrating input and output characteristics is solved.

Investigation of accelerating ion triode with magnetic insulation for neutron generation

NASA Astrophysics Data System (ADS)

Shikanov, A. E.; Kozlovskij, K. I.; Vovchenko, E. D.; Rashchikov, V. I.; Shatokhin, V. L.; Isaev, A. A.

2017-12-01

Vacuum accelerating tube (AT) for neutron generation with the secondary electron emission suppressed by helical line pulse magnetic field which allocated inside accelerating gap in front of hollow conical cathodeis discussed. The central anode was covered by the hollow cathode. This technical solution of AT is an ion triode in which helical line serve as a grid. Computer simulation results of longitudinal magnetic field distributional along the axis are presented.

Impurity transport in enhanced confinement regimes in RFX-mod Reversed Field Pinch

NASA Astrophysics Data System (ADS)

Carraro, Lorella; Menmuir, Sheena; Fassina, Alessandro

2010-11-01

The results of impurity transport studies in RFX-mod enhanced confinement quasi-single helicity (QSH) and single helical axis (SHAx) regimes are presented and discussed. The impurity diffusion coefficient and pinch velocity are obtained through comparing experimental emission pattern (line emission and SXR time evolutions, SXR profiles) with the results of a 1-D impurity transport code. Previous analysis [S. Menmuir et al. to be published in Plasma Phys. Contr. Fus.] of impurity transport in RFX-mod standard discharges showed that the impurity pinch velocity, always directed outwards, features a barrier with high values around r/a = 0.8, where the diffusion coefficient decreases by one order of magnitude. In the QSH regime, the transition region in D and v is more internal and the barrier in velocity is wider and stronger. New results have been obtained in experiments with Ni laser blow-off (LBO) injection in high current discharges (Ip>1.5 MA) with long lasting QSH, to better characterize the Ni behavior inside the helical magnetic topology.

Hydration-induced crystalline transformation of starch polymer under ambient conditions.

PubMed

Qiao, Dongling; Zhang, Binjia; Huang, Jing; Xie, Fengwei; Wang, David K; Jiang, Fatang; Zhao, Siming; Zhu, Jie

2017-10-01

With synchrotron small/wide-angle X-ray scattering (SAXS/WAXS), we revealed that post-harvest hydration at ambient conditions can further alter the starch crystalline structure. The hydration process induced the alignment of starch helices into crystalline lamellae, irrespective of the starch type (A- or B-). In this process, non-crystalline helices were probably packed with water molecules to form new crystal units, thereby enhancing the overall concentration of starch crystallinity. In particular, a fraction of the monoclinic crystal units of the A-type starches encapsulated water molecules during hydration, leading to the outward movement of starch helices. Such movement resulted in the transformation of monoclinic units into hexagonal units, which was associated with the B-type crystallites. Hence, the hydration under ambient conditions could enhance the B-polymorphic features for both A-type and B-type starches. The new knowledge obtained here may guide the design of biopolymer-based liquid crystal materials with controlled lattice regularity and demanded features. Copyright © 2017 Elsevier B.V. All rights reserved.

Enhanced heat transfer with full circumferential ribs in helical pipe

NASA Astrophysics Data System (ADS)

Chang, S. W.; Su, L. M.; Yang, T. L.

2002-08-01

This paper describes an experimental study of heat transfers in the smooth-walled and rib-roughened helical pipes with reference to the design of enhanced cooling passages in the cylinder head and liner of a marine propulsive diesel engine. The manner in which the repeated ribs modify the forced heat convection in the helical pipe is considered for the case where the flow is turbulent upon entering the coil but laminar in further downstream. A selection of experimental results illustrates the individual and interactive effects of Dean vortices and rib-flows on heat transfer along the inner and outer helixes of coils. The experimental-based observations reveal that the centrifugal force modifies the heat transfer in a manner to generate circumferential heat transfer variation with better cooling performance on the outer edge relative to its inner counterpart even with the agitated flow field caused by the repeated ribs. Heat transfer augmentation factor in the range of 1.3 - 3 times of the smooth-walled level is achieved using the present ribbing geometry. A set of empirical correlations based on the experimental data has been developed to permit the evaluation of heat transfers along the inner and outer helixes of the smooth-walled and rib-roughened helical pipes.

A More Accurate and Efficient Technique Developed for Using Computational Methods to Obtain Helical Traveling-Wave Tube Interaction Impedance

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1999-01-01

The phenomenal growth of commercial communications has created a great demand for traveling-wave tube (TWT) amplifiers. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. For the first time, an accurate three-dimensional helical model was developed that allows accurate prediction of TWT cold-test characteristics including operating frequency, interaction impedance, and attenuation. This computational model, which was developed at the NASA Lewis Research Center, allows TWT designers to obtain a more accurate value of interaction impedance than is possible using experimental methods. Obtaining helical slow-wave circuit interaction impedance is an important part of the design process for a TWT because it is related to the gain and efficiency of the tube. This impedance cannot be measured directly; thus, conventional methods involve perturbing a helical circuit with a cylindrical dielectric rod placed on the central axis of the circuit and obtaining the difference in resonant frequency between the perturbed and unperturbed circuits. A mathematical relationship has been derived between this frequency difference and the interaction impedance (ref. 1). However, because of the complex configuration of the helical circuit, deriving this relationship involves several approximations. In addition, this experimental procedure is time-consuming and expensive, but until recently it was widely accepted as the most accurate means of determining interaction impedance. The advent of an accurate three-dimensional helical circuit model (ref. 2) made it possible for Lewis researchers to fully investigate standard approximations made in deriving the relationship between measured perturbation data and interaction impedance. The most prominent approximations made in the analysis were addressed and fully investigated for their accuracy by using the three-dimensional electromagnetic simulation code MAFIA (Solution of Maxwell's Equations by the Finite Integration Algorithm) (refs. 3 and 4). We found that several approximations introduced significant error (ref. 5).

Inhomogeneous helicity effect in the solar angular-momentum transport

NASA Astrophysics Data System (ADS)

Yokoi, Nobumitsu

2017-04-01

Coupled with mean absolute vorticity Ω∗ (rotation and mean relative vorticity), inhomogeneous turbulent helicity is expected to contribute to the generation of global flow structure against the linear and angular momentum mixing due to turbulent or eddy viscosity. This inhomogeneous helicity effect was originally derived in Yokoi & Yoshizawa (1993) [1], and recently has been validated by direct numerical simulations (DNSs) of rotating helical turbulence [2]. Turbulence effect enters the mean-vorticity equation through the turbulent vortexmotive force ⟨u'×ω'⟩ [u': velocity fluctuation, ω'(= ∇× u'): vorticity fluctuation], which is the vorticity counterpart of the electromotive force ⟨u'× b'⟩ (b': magnetic fluctuation) in the mean magnetic-field induction. The mean velocity induction δU is proportional to the vortexmotive force. According to the theoretical result [1,2], it is expressed as δU = -νT∇×Ω∗-ηT(∇2H)Ω∗, where ηT is the transport coefficient, H = ⟨u'ṡω'⟩ the turbulent helicity, and Ω∗ the mean absolute vorticity. The first term corresponds to the enhanced diffusion due to turbulent viscosity νT. The second term expresses the large-scale flow generation due to inhomogeneous helicity. Since helicity is self-generated in rotating stratified turbulence [3], an inhomogeneous helicity distribution is expected to exist in the solar convection zone. A rising flow with expansion near the surface of the Sun generates a strongly negative helicity there [4]. This spatial distribution of helicity would lead to a positive Laplacian of turbulent helicity (∇2H > 0) in the subsurface layer of the Sun. In the combination with the large-scale vorticity associated with the meridional circulation, the inhomogeneous helicity effect works for accelerating the mean velocity in the azimuthal direction. The relevance of this inhomogeneous helicity effect in the solar convection zone is discussed further. References [1] Yokoi, N. and Yoshizawa, A., "Statistical analysis of the effects of helicity in inhomogeneous turbulence," Phys. Fluids A, 5, 464-477 (1993). [2] Yokoi, N. and Brandenburg, A., "Large-scale flow generation by inhomogeneous helicity," Phys. Rev. E, 93, 033125-1-14 (2016). [3] Marino, R., Mininni, P., Rosenberg, D., and Pouquet, A., "Emergence of helicity in rotating stratified turbulence," Phys. Rev. E, 87, 033016-1-9 (2013). [4] Duarte, L. D. V., Wicht, J., Browning, M. K., and Gastine, T., "Helicity inversion in spherical convection as a means for equatorward dynamo wave propagation," Mon. Not. Roy. Astron. Soc. 456, 1708-1722 (2016).

Modeling helical proteins using residual dipolar couplings, sparse long-range distance constraints and a simple residue-based force field

PubMed Central

Eggimann, Becky L.; Vostrikov, Vitaly V.; Veglia, Gianluigi; Siepmann, J. Ilja

2013-01-01

We present a fast and simple protocol to obtain moderate-resolution backbone structures of helical proteins. This approach utilizes a combination of sparse backbone NMR data (residual dipolar couplings and paramagnetic relaxation enhancements) or EPR data with a residue-based force field and Monte Carlo/simulated annealing protocol to explore the folding energy landscape of helical proteins. By using only backbone NMR data, which are relatively easy to collect and analyze, and strategically placed spin relaxation probes, we show that it is possible to obtain protein structures with correct helical topology and backbone RMS deviations well below 4 Å. This approach offers promising alternatives for the structural determination of proteins in which nuclear Overha-user effect data are difficult or impossible to assign and produces initial models that will speed up the high-resolution structure determination by NMR spectroscopy. PMID:24639619

Contribution of Long-Range Interactions to the Secondary Structure of an Unfolded Globin

PubMed Central

Fedyukina, Daria V.; Rajagopalan, Senapathy; Sekhar, Ashok; Fulmer, Eric C.; Eun, Ye-Jin; Cavagnero, Silvia

2010-01-01

This work explores the effect of long-range tertiary contacts on the distribution of residual secondary structure in the unfolded state of an α-helical protein. N-terminal fragments of increasing length, in conjunction with multidimensional nuclear magnetic resonance, were employed. A protein representative of the ubiquitous globin fold was chosen as the model system. We found that, while most of the detectable α-helical population in the unfolded ensemble does not depend on the presence of the C-terminal region (corresponding to the native G and H helices), specific N-to-C long-range contacts between the H and A-B-C regions enhance the helical secondary structure content of the N terminus (A-B-C regions). The simple approach introduced here, based on the evaluation of N-terminal polypeptide fragments of increasing length, is of general applicability to identify the influence of long-range interactions in unfolded proteins. PMID:20816043

Cooperative polymerization of α-helices induced by macromolecular architecture

NASA Astrophysics Data System (ADS)

Baumgartner, Ryan; Fu, Hailin; Song, Ziyuan; Lin, Yao; Cheng, Jianjun

2017-07-01

Catalysis observed in enzymatic processes and protein polymerizations often relies on the use of supramolecular interactions and the organization of functional elements in order to gain control over the spatial and temporal elements of fundamental cellular processes. Harnessing these cooperative interactions to catalyse reactions in synthetic systems, however, remains challenging due to the difficulty in creating structurally controlled macromolecules. Here, we report a polypeptide-based macromolecule with spatially organized α-helices that can catalyse its own formation. The system consists of a linear polymeric scaffold containing a high density of initiating groups from which polypeptides are grown, forming a brush polymer. The folding of polypeptide side chains into α-helices dramatically enhances the polymerization rate due to cooperative interactions of macrodipoles between neighbouring α-helices. The parameters that affect the rate are elucidated by a two-stage kinetic model using principles from nucleation-controlled protein polymerizations; the key difference being the irreversible nature of this polymerization.

Effect of Stapling Architecture on Physiochemical Properties and Cell Permeability of Stapled α-Helical Peptides: A Comparative Study.

PubMed

Tian, Yuan; Jiang, Yanhong; Li, Jingxu; Wang, Dongyuan; Zhao, Hui; Li, Zigang

2017-11-02

Stapled peptides have emerged as a new class of targeting molecules with high binding affinity and specificity for intracellular undruggable targets. Their ability to penetrate cell membranes is exceptionally intriguing but remains elusively and controversially discussed. To understand the effect of stapling architectures on their physiochemical properties and to aid in promoting their cell permeability, we report herein a comparative study on the physiochemical properties and cell permeability of stapled α-helical peptides with different types of crosslinks. We highlight the decisive impact of the intrinsic properties of the crosslinks on cell permeability rather than the helical contents of the peptides in model amphipathic sequences targeting estrogen receptor-coactivator interaction. We envision this finding to shed further light on the chemical optimization of stapled α-helical peptides or macrocyclic cell-penetrating peptides for enhanced cell penetration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Computed tomography of the lungs. A step into the fourth dimension].

PubMed

Dinkel, J; Hintze, C; Rochet, N; Thieke, C; Biederer, J

2009-08-01

To discuss the techniques for four dimensional computed tomography of the lungs in tumour patients. The image acquisition in CT can be done using respiratory gating in two different ways: the helical or cine mode. In the helical mode, the couch moves continuously during image and respiratory signal acquisition. In the cine mode, the couch remains in the same position during at least one complete respiratory cycle and then moves to next position. The 4D images are either acquired prospectively or reconstructed retrospectively with dedicated algorithms in a freely selectable respiratory phase. The time information required for motion depiction in 4D imaging can be obtained with tolerable motion artefacts. Partial projection and stepladder-artifacts are occurring predominantly close to the diaphragm, where the displacement is most prominent. Due to the long exposure times, radiation exposure is significantly higher compared to a simple breathhold helical acquisition. Therefore, the use of 4D-CT is restricted to only specific indications (i.e. radiotherapy planning). 4D-CT of the lung allows evaluating the respiration-correlated displacement of lungs and tumours in space for radiotherapy planning.

Brickworx builds recurrent RNA and DNA structural motifs into medium- and low-resolution electron-density maps

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chojnowski, Grzegorz, E-mail: gchojnowski@genesilico.pl; Waleń, Tomasz; University of Warsaw, Banacha 2, 02-097 Warsaw

2015-03-01

A computer program that builds crystal structure models of nucleic acid molecules is presented. Brickworx is a computer program that builds crystal structure models of nucleic acid molecules using recurrent motifs including double-stranded helices. In a first step, the program searches for electron-density peaks that may correspond to phosphate groups; it may also take into account phosphate-group positions provided by the user. Subsequently, comparing the three-dimensional patterns of the P atoms with a database of nucleic acid fragments, it finds the matching positions of the double-stranded helical motifs (A-RNA or B-DNA) in the unit cell. If the target structure ismore » RNA, the helical fragments are further extended with recurrent RNA motifs from a fragment library that contains single-stranded segments. Finally, the matched motifs are merged and refined in real space to find the most likely conformations, including a fit of the sequence to the electron-density map. The Brickworx program is available for download and as a web server at http://iimcb.genesilico.pl/brickworx.« less

Multi-mesh gear dynamics program evaluation and enhancements

NASA Technical Reports Server (NTRS)

Boyd, L. S.; Pike, J.

1985-01-01

A multiple mesh gear dynamics computer program was continually developed and modified during the last four years. The program can handle epicyclic gear systems as well as single mesh systems with internal, buttress, or helical tooth forms. The following modifications were added under the current funding: variable contact friction, planet cage and ring gear rim flexibility options, user friendly options, dynamic side bands, a speed survey option and the combining of the single and multiple mesh options into one general program. The modified program was evaluated by comparing calculated values to published test data and to test data taken on a Hamilton Standard turboprop reduction gear-box. In general, the correlation between the test data and the analytical data is good.

Three-dimensional observation of an helical hot structure during a sawtooth crash in the WT-3 tokamak.

PubMed

Yamaguchi, S; Igami, H; Tanaka, H; Maekawa, T

2004-07-23

Sawtooth crashes in an Ohmically heated plasma in the WT-3 tokamak have been observed by using soft x-ray computer tomography at three different poloidal cross sections around the torus. Initially, collapsing proceeds slowly with keeping the helical structure of an m = 1/n = 1 hot core around the torus. It accelerates as the helical hot structure is strongly deformed and fades away in the manner that the hot core at the high field side becomes obscure and disappears, while that at the low field side is deformed into a thin crescent aligned along the inversion circle, which survives even at the completion of the crash. Copyright 2004 The American Physical Society

Low Reynolds Number Bacterial Robots

NASA Astrophysics Data System (ADS)

Giesbrecht, Grant; Ni, Katha; Vock, Isaac; Rodenborn, Bruce

The dynamics of prokaryotic motility in a fluid is important in a wide range of fields. Our experiment models the locomotion of bacteria with a robotic swimmer made using a computer controlled DC motor that drives a helical flagellum formed from welding wire. Because of its small size, a bacterium swimming in water is like our robot swimming in corn syrup. We compensate for the size difference by placing the robot in highly viscous silicone oil. Previous research measured helical propulsion of a swimmer far from a boundary. However proximity to a boundary strongly affects bacterial swimming. We have designed a system to precisely control the distance from the flagellum to the tank wall, and have made some of the first macroscopic measurements of boundary effects on helical propulsion.

High-pitch Helical Dual-source Computed Tomographic Pulmonary Angiography: Comparing Image Quality in Inspiratory Breath-hold and During Free Breathing.

PubMed

Ajlan, Amr M; Binzaqr, Salma; Jadkarim, Dalia A; Jamjoom, Lamia G; Leipsic, Jonathon

2016-01-01

The purpose of this study was to compare qualitative and quantitative image parameters of dual-source high-pitch helical computed tomographic pulmonary angiography (CTPA) in breath-holding (BH) versus free-breathing (FB) patients. Ninety-nine consented patients (61 female individuals; mean age±SD, 49±18.7 y) were randomized into BH (n=45) versus FB (n=54) high-pitch helical CTPA. Patient characteristics and CTPA radiation doses were analyzed. Two readers assessed for pulmonary embolism (PE), transient interruption of contrast, and respiratory and cardiac motion. The readers used a subjective 3-point scale to rate the pulmonary artery opacification and lung parenchymal appearance. A single reader assessed mean pulmonary artery signal intensity, noise, contrast, signal to noise ratio, and contrast to noise ratio. PE was diagnosed in 16% BH and 19% FB patients. CTPAs of both groups were of excellent or acceptable quality for PE evaluation and of similar mean radiation doses (1.3 mSv). Transient interruption of contrast was seen in 5/45 (11%) BH and 5/54 (9%) FB patients (not statistically significant, P=0.54). No statistically significant difference was noted in cardiac, diaphragmatic, and lung parenchymal motion. Lung parenchymal assessment was excellent in all cases, except for 5/54 (9%) motion-affected FB cases with acceptable quality (statistically significant, P=0.03). No CTPA was considered nondiagnostic by any of the readers. No objective image quality differences were noted between both groups (P>0.05). High-pitch helical CTPA acquired during BH or in FB yields comparable image quality for the diagnosis of PE and lung pathology, with low radiation exposure. Only a modest increase in lung parenchymal artifacts is encountered in FB high-pitch helical CTPA.

Assessment of temporal resolution of multi-detector row computed tomography in helical acquisition mode using the impulse method.

PubMed

Ichikawa, Katsuhiro; Hara, Takanori; Urikura, Atsushi; Takata, Tadanori; Ohashi, Kazuya

2015-06-01

The purpose of this study was to propose a method for assessing the temporal resolution (TR) of multi-detector row computed tomography (CT) (MDCT) in the helical acquisition mode using temporal impulse signals generated by a metal ball passing through the acquisition plane. An 11-mm diameter metal ball was shot along the central axis at approximately 5 m/s during a helical acquisition, and the temporal sensitivity profile (TSP) was measured from the streak image intensities in the reconstructed helical CT images. To assess the validity, we compared the measured and theoretical TSPs for the 4-channel modes of two MDCT systems. A 64-channel MDCT system was used to compare TSPs and image quality of a motion phantom for the pitch factors P of 0.6, 0.8, 1.0 and 1.2 with a rotation time R of 0.5 s, and for two R/P combinations of 0.5/1.2 and 0.33/0.8. Moreover, the temporal transfer functions (TFs) were calculated from the obtained TSPs. The measured and theoretical TSPs showed perfect agreement. The TSP narrowed with an increase in the pitch factor. The image sharpness of the 0.33/0.8 combination was inferior to that of the 0.5/1.2 combination, despite their almost identical full width at tenth maximum values. The temporal TFs quantitatively confirmed these differences. The TSP results demonstrated that the TR in the helical acquisition mode significantly depended on the pitch factor as well as the rotation time, and the pitch factor and reconstruction algorithm affected the TSP shape. Copyright © 2015 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

ALOHA: Automatic libraries of helicity amplitudes for Feynman diagram computations

NASA Astrophysics Data System (ADS)

de Aquino, Priscila; Link, William; Maltoni, Fabio; Mattelaer, Olivier; Stelzer, Tim

2012-10-01

We present an application that automatically writes the HELAS (HELicity Amplitude Subroutines) library corresponding to the Feynman rules of any quantum field theory Lagrangian. The code is written in Python and takes the Universal FeynRules Output (UFO) as an input. From this input it produces the complete set of routines, wave-functions and amplitudes, that are needed for the computation of Feynman diagrams at leading as well as at higher orders. The representation is language independent and currently it can output routines in Fortran, C++, and Python. A few sample applications implemented in the MADGRAPH 5 framework are presented. Program summary Program title: ALOHA Catalogue identifier: AEMS_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEMS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: http://www.opensource.org/licenses/UoI-NCSA.php No. of lines in distributed program, including test data, etc.: 6094320 No. of bytes in distributed program, including test data, etc.: 7479819 Distribution format: tar.gz Programming language: Python2.6 Computer: 32/64 bit Operating system: Linux/Mac/Windows RAM: 512 Mbytes Classification: 4.4, 11.6 Nature of problem: An effcient numerical evaluation of a squared matrix element can be done with the help of the helicity routines implemented in the HELAS library [1]. This static library contains a limited number of helicity functions and is therefore not always able to provide the needed routine in the presence of an arbitrary interaction. This program provides a way to automatically create the corresponding routines for any given model. Solution method: ALOHA takes the Feynman rules associated to the vertex obtained from the model information (in the UFO format [2]), and multiplies it by the different wavefunctions or propagators. As a result the analytical expression of the helicity routines is obtained. Subsequently, this expression is automatically written in the requested language (Python, Fortran or C++) Restrictions: The allowed fields are currently spin 0, 1/2, 1 and 2, and the propagators of these particles are canonical. Running time: A few seconds for the SM and the MSSM, and up to a few minutes for models with spin 2 particles. References: [1] Murayama, H. and Watanabe, I. and Hagiwara, K., HELAS: HELicity Amplitude Subroutines for Feynman diagram evaluations, KEK-91-11, (1992) http://www-lib.kek.jp/cgi-bin/img_index?199124011 [2] C. Degrande, C. Duhr, B. Fuks, D. Grellscheid, O. Mattelaer, et al., UFO— The Universal FeynRules Output, Comput. Phys. Commun. 183 (2012) 1201-1214. arXiv:1108.2040, doi:10.1016/j.cpc.2012.01.022.

On the Use of Enveloping Distribution Sampling (EDS) to Compute Free Enthalpy Differences between Different Conformational States of Molecules: Application to 310-, α-, and π-Helices.

PubMed

Lin, Zhixiong; Liu, Haiyan; Riniker, Sereina; van Gunsteren, Wilfred F

2011-12-13

Enveloping distribution sampling (EDS) is a powerful method to compute relative free energies from simulation. So far, the EDS method has only been applied to alchemical free energy differences, i.e., between different Hamiltonians defining different systems, and not yet to obtain free energy differences between different conformations or conformational states of a system. In this article, we extend the EDS formalism such that it can be applied to compute free energy differences of different conformations and apply it to compute the relative free enthalpy ΔG of 310-, α-, and π-helices of an alanine deca-peptide in explicit water solvent. The resulting ΔG values are compared to those obtained by standard thermodynamic integration (TI) and from so-called end-state simulations. A TI simulation requires the definition of a λ-dependent pathway which in the present case is based on hydrogen bonds of the different helical conformations. The values of ⟨(∂VTI)/(∂λ)⟩λ show a sharp change for a particular range of λ values, which is indicative of an energy barrier along the pathway, which lowers the accuracy of the resulting ΔG value. In contrast, in a two-state EDS simulation, an unphysical reference-state Hamiltonian which connects the parts of conformational space that are relevant to the different end states is constructed automatically; that is, no pathway needs to be defined. In the simulation using this reference state, both helices were sampled, and many transitions between them occurred, thus ensuring the accuracy of the resulting free enthalpy difference. According to the EDS simulations, the free enthalpy differences of the π-helix and the 310-helix versus the α-helix are 5 kJ mol(-1) and 47 kJ mol(-1), respectively, for an alanine deca-peptide in explicit SPC water solvent using the GROMOS 53A6 force field. The EDS method, which is a particular form of umbrella sampling, is thus applicable to compute free energy differences between conformational states as well as between systems and has definite advantages over the traditional TI and umbrella sampling methods to compute relative free energies.

Advanced Computational Techniques for Power Tube Design.

DTIC Science & Technology

1986-07-01

fixturing applications, in addition to the existing computer-aided engineering capabilities. o Helix TWT Manufacturing has Implemented a tooling and fixturing...illustrates the ajor features of this computer network. ) The backbone of our system is a Sytek Broadband Network (LAN) which Interconnects terminals and...automatic network analyzer (FANA) which electrically characterizes the slow-wave helices of traveling-wave tubes ( TWTs ) -- both for engineering design

Quantum correlations of helicity entangled states in non-inertial frames beyond single mode approximation

NASA Astrophysics Data System (ADS)

Harsij, Zeynab; Mirza, Behrouz

2014-12-01

A helicity entangled tripartite state is considered in which the degree of entanglement is preserved in non-inertial frames. It is shown that Quantum Entanglement remains observer independent. As another measure of quantum correlation, Quantum Discord has been investigated. It is explicitly shown that acceleration has no effect on the degree of quantum correlation for the bipartite and tripartite helicity entangled states. Geometric Quantum Discord as a Hilbert-Schmidt distance is computed for helicity entangled states. It is shown that living in non-inertial frames does not make any influence on this distance, either. In addition, the analysis has been extended beyond single mode approximation to show that acceleration does not have any impact on the quantum features in the limit beyond the single mode. As an interesting result, while the density matrix depends on the right and left Unruh modes, the Negativity as a measure of Quantum Entanglement remains constant. Also, Quantum Discord does not change beyond single mode approximation.

Hydrodynamics of insect spermatozoa

NASA Astrophysics Data System (ADS)

Pak, On Shun; Lauga, Eric

2010-11-01

Microorganism motility plays important roles in many biological processes including reproduction. Many microorganisms propel themselves by propagating traveling waves along their flagella. Depending on the species, propagation of planar waves (e.g. Ceratium) and helical waves (e.g. Trichomonas) were observed in eukaryotic flagellar motion, and hydrodynamic models for both were proposed in the past. However, the motility of insect spermatozoa remains largely unexplored. An interesting morphological feature of such cells, first observed in Tenebrio molitor and Bacillus rossius, is the double helical deformation pattern along the flagella, which is characterized by the presence of two superimposed helical flagellar waves (one with a large amplitude and low frequency, and the other with a small amplitude and high frequency). Here we present the first hydrodynamic investigation of the locomotion of insect spermatozoa. The swimming kinematics, trajectories and hydrodynamic efficiency of the swimmer are computed based on the prescribed double helical deformation pattern. We then compare our theoretical predictions with experimental measurements, and explore the dependence of the swimming performance on the geometric and dynamical parameters.

Hydrogen bonds and heat diffusion in α-helices: a computational study.

PubMed

Miño, German; Barriga, Raul; Gutierrez, Gonzalo

2014-08-28

Recent evidence has shown a correlation between the heat diffusion pathways and the known allosteric communication pathways in proteins. Allosteric communication in proteins is a central, yet unsolved, problem in biochemistry, and the study and characterization of the structural determinants that mediate energy transfer among different parts of proteins is of major importance. In this work, we characterized the role of hydrogen bonds in diffusivity of thermal energy for two sets of α-helices with different abilities to form hydrogen bonds. These hydrogen bonds can be a constitutive part of the α-helices or can arise from the lateral chains. In our in vacuo simulations, it was observed that α-helices with a higher possibility of forming hydrogen bonds also had higher rates of thermalization. Our simulations also revealed that heat readily flowed through atoms involved in hydrogen bonds. As a general conclusion, according to our simulations, hydrogen bonds fulfilled an important role in heat diffusion in structural patters of proteins.

Pumping Characteristics of a Helical Screw Agitator with a Draught Tube

NASA Astrophysics Data System (ADS)

Hwang, Jung-Hoon; Kim, Youn-Jea

In the use of helical type agitator, the mixing process is usually restricted to the laminar flow regime. Common examples of laminar mixing are found where the fluid has a very high viscosity, i.e., pseudoplastic fluids. It can be indicated that a helical type agitator is sufficiently suited to the creeping flow mixing. The pumping characteristic of a Helical Screw Agitator with a draught tube (HSA) is required to evaluate its capacity for the optimal configuration of the mixing chamber. It could be executed by changing some parameters such as the number of helix, the angular velocity and the rotating direction and so on. In this study, the numerical simulation was carried out with the Eulerian multiphase mixture model and the moving mesh approximation. Some of the optimum design parameters have been developed with the aid of numerical data from the Computational Fluid Dynamics (CFD) analysis. Using the commercial code, Fluent, the pumping characteristics in the HSA are investigated from the rheological properties, and the results are graphically depicted.

Bifurcated helical core equilibrium states in tokamaks

NASA Astrophysics Data System (ADS)

Cooper, W. A.; Chapman, I. T.; Schmitz, O.; Turnbull, A. D.; Tobias, B. J.; Lazarus, E. A.; Turco, F.; Lanctot, M. J.; Evans, T. E.; Graves, J. P.; Brunetti, D.; Pfefferlé, D.; Reimerdes, H.; Sauter, O.; Halpern, F. D.; Tran, T. M.; Coda, S.; Duval, B. P.; Labit, B.; Pochelon, A.; Turnyanskiy, M. R.; Lao, L.; Luce, T. C.; Buttery, R.; Ferron, J. R.; Hollmann, E. M.; Petty, C. C.; van Zeeland, M.; Fenstermacher, M. E.; Hanson, J. M.; Lütjens, H.

2013-07-01

Tokamaks with weak to moderate reversed central shear in which the minimum inverse rotational transform (safety factor) qmin is in the neighbourhood of unity can trigger bifurcated magnetohydrodynamic equilibrium states, one of which is similar to a saturated ideal internal kink mode. Peaked prescribed pressure profiles reproduce the ‘snake’ structures observed in many tokamaks which has led to a novel explanation of the snake as a bifurcated equilibrium state. Snake equilibrium structures are computed in simulations of the tokamak à configuration variable (TCV), DIII-D and mega amp spherical torus (MAST) tokamaks. The internal helical deformations only weakly modulate the plasma-vacuum interface which is more sensitive to ripple and resonant magnetic perturbations. On the other hand, the external perturbations do not alter the helical core deformation in a significant manner. The confinement of fast particles in MAST simulations deteriorate with the amplitude of the helical core distortion. These three-dimensional bifurcated solutions constitute a paradigm shift that motivates the applications of tools developed for stellarator research in tokamak physics investigations.

Magnetic Energy and Helicity in Two Emerging Active Regions in the Sun

NASA Technical Reports Server (NTRS)

Liu, Y.; Schuck, P. W.

2012-01-01

The magnetic energy and relative magnetic helicity in two emerging solar active regions, AR 11072 and AR 11158,are studied. They are computed by integrating over time the energy and relative helicity fluxes across the photosphere. The fluxes consist of two components: one from photospheric tangential flows that shear and braid field lines (shear term), the other from normal flows that advect magnetic flux into the corona (emergence term). For these active regions: (1) relative magnetic helicity in the active-region corona is mainly contributed by the shear term,(2) helicity fluxes from the emergence and the shear terms have the same sign, (3) magnetic energy in the corona (including both potential energy and free energy) is mainly contributed by the emergence term, and(4) energy fluxes from the emergence term and the shear term evolved consistently in phase during the entire flux emergence course.We also examine the apparent tangential velocity derived by tracking field-line footpoints using a simple tracking method. It is found that this velocity is more consistent with tangential plasma velocity than with the flux transport velocity, which agrees with the conclusion by Schuck.

A Prospective Evaluation of Helical Tomotherapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bauman, Glenn; Yartsev, Slav; Rodrigues, George

2007-06-01

Purpose: To report results from two clinical trials evaluating helical tomotherapy (HT). Methods and Materials: Patients were enrolled in one of two prospective trials of HT (one for palliative and one for radical treatment). Both an HT plan and a companion three-dimensional conformal radiotherapy (3D-CRT) plan were generated. Pretreatment megavoltage computed tomography was used for daily image guidance. Results: From September 2004 to January 2006, a total of 61 sites in 60 patients were treated. In all but one case, a clinically acceptable tomotherapy plan for treatment was generated. Helical tomotherapy plans were subjectively equivalent or superior to 3D-CRT inmore » 95% of plans. Helical tomotherapy was deemed equivalent or superior in two thirds of dose-volume point comparisons. In cases of inferiority, differences were either clinically insignificant and/or reflected deliberate tradeoffs to optimize the HT plan. Overall imaging and treatment time (median) was 27 min (range, 16-91 min). According to a patient questionnaire, 78% of patients were satisfied to very satisfied with the treatment process. Conclusions: Helical tomotherapy demonstrated clear advantages over conventional 3D-CRT in this diverse patient group. The prospective trials were helpful in deploying this technology in a busy clinical setting.« less

Deceleration of arginine kinase refolding by induced helical structures.

PubMed

Li, Hai-Long; Zhou, Sheng-Mei; Park, Daeui; Jeong, Hyoung Oh; Chung, Hae Young; Yang, Jun-Mo; Meng, Fan-Guo; Hu, Wei-Jiang

2012-04-01

Arginine kinase (AK) is a key metabolic enzyme for keeping energy balance in invertebrates. Therefore, regulation of the enzymatic activity and the folding studies of AK from the various invertebrates have been the focus of investigation. We studied the effects of helical structures by using hexafluoroisopropanol (HFIP) on AK folding. Folding kinetic studies showed that the folding rates of the urea-denatured AKs were significantly decelerated after being induced in various concentrations of HFIP. AK lost its activity completely at concentrations greater than 60%. The results indicated that the HFIP-induced helical structures in the denatured state play a negative role in protein folding, and the helical structures induced in 5% (v/v) HFIP act as the most effective barrier against AK taking its native structure. The computational docking simulations (binding energies for -2.19 kcal/mol for AutoDock4.2 and -20.47 kcal/mol for Dock6.3) suggested that HFIP interacts with the several important residues that are predicted by both programs. The excessively pre-organized helical structures not only hampered the folding process, but also ultimately brought about changes in the three-dimensional conformation and biological function of AK.

INTERPRETING ERUPTIVE BEHAVIOR IN NOAA AR 11158 VIA THE REGION'S MAGNETIC ENERGY AND RELATIVE-HELICITY BUDGETS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tziotziou, Kostas; Georgoulis, Manolis K.; Liu Yang

In previous works, we introduced a nonlinear force-free method that self-consistently calculates the instantaneous budgets of free magnetic energy and relative magnetic helicity in solar active regions (ARs). Calculation is expedient and practical, using only a single vector magnetogram per computation. We apply this method to a time series of 600 high-cadence vector magnetograms of the eruptive NOAA AR 11158 acquired by the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory over a five-day observing interval. Besides testing our method extensively, we use it to interpret the dynamical evolution in the AR, including eruptions. We find that themore » AR builds large budgets of both free magnetic energy and relative magnetic helicity, sufficient to power many more eruptions than the ones it gave within the interval of interest. For each of these major eruptions, we find eruption-related decreases and subsequent free-energy and helicity budgets that are consistent with the observed eruption (flare and coronal mass ejection (CME)) sizes. In addition, we find that (1) evolution in the AR is consistent with the recently proposed (free) energy-(relative) helicity diagram of solar ARs, (2) eruption-related decreases occur before the flare and the projected CME-launch times, suggesting that CME progenitors precede flares, and (3) self terms of free energy and relative helicity most likely originate from respective mutual terms, following a progressive mutual-to-self conversion pattern that most likely stems from magnetic reconnection. This results in the non-ideal formation of increasingly helical pre-eruption structures and instigates further research on the triggering of solar eruptions with magnetic helicity firmly placed in the eruption cadre.« less

Intermolecular detergent-membrane protein noes for the characterization of the dynamics of membrane protein-detergent complexes.

PubMed

Eichmann, Cédric; Orts, Julien; Tzitzilonis, Christos; Vögeli, Beat; Smrt, Sean; Lorieau, Justin; Riek, Roland

2014-12-11

The interaction between membrane proteins and lipids or lipid mimetics such as detergents is key for the three-dimensional structure and dynamics of membrane proteins. In NMR-based structural studies of membrane proteins, qualitative analysis of intermolecular nuclear Overhauser enhancements (NOEs) or paramagnetic resonance enhancement are used in general to identify the transmembrane segments of a membrane protein. Here, we employed a quantitative characterization of intermolecular NOEs between (1)H of the detergent and (1)H(N) of (2)H-perdeuterated, (15)N-labeled α-helical membrane protein-detergent complexes following the exact NOE (eNOE) approach. Structural considerations suggest that these intermolecular NOEs should show a helical-wheel-type behavior along a transmembrane helix or a membrane-attached helix within a membrane protein as experimentally demonstrated for the complete influenza hemagglutinin fusion domain HAfp23. The partial absence of such a NOE pattern along the amino acid sequence as shown for a truncated variant of HAfp23 and for the Escherichia coli inner membrane protein YidH indicates the presence of large tertiary structure fluctuations such as an opening between helices or the presence of large rotational dynamics of the helices. Detergent-protein NOEs thus appear to be a straightforward probe for a qualitative characterization of structural and dynamical properties of membrane proteins embedded in detergent micelles.

Enhanced Control for Local Helicity Injection on the Pegasus ST

NASA Astrophysics Data System (ADS)

Pierren, C.; Bongard, M. W.; Fonck, R. J.; Lewicki, B. T.; Perry, J. M.

2017-10-01

Local helicity injection (LHI) experiments on Pegasus rely upon programmable control of a 250 MVA modular power supply system that drives the electromagnets and helicity injection systems. Precise control of the central solenoid is critical to experimental campaigns that test the LHI Taylor relaxation limit and the coupling efficiency of LHI-produced plasmas to Ohmic current drive. Enhancement and expansion of the present control system is underway using field programmable gate array (FPGA) technology for digital logic and control, coupled to new 10 MHz optical-to-digital transceivers for semiconductor level device communication. The system accepts optical command signals from existing analog feedback controllers, transmits them to multiple devices in parallel H-bridges, and aggregates their status signals for fault detection. Present device-level multiplexing/de-multiplexing and protection logic is extended to include bridge-level protections with the FPGA. An input command filter protects against erroneous and/or spurious noise generated commands that could otherwise cause device failures. Fault registration and response times with the FPGA system are 25 ns. Initial system testing indicates an increased immunity to power supply induced noise, enabling plasma operations at higher working capacitor bank voltage. This can increase the applied helicity injection drive voltage, enable longer pulse lengths and improve Ohmic loop voltage control. Work supported by US DOE Grant DE-FG02-96ER54375.

EVOLUTION OF SPINNING AND BRAIDING HELICITY FLUXES IN SOLAR ACTIVE REGION NOAA 10930

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ravindra, B.; Yoshimura, Keiji; Dasso, Sergio, E-mail: ravindra@iiap.res.in, E-mail: yosimura@solar.physics.montana.edu, E-mail: dasso@df.uba.ar

2011-12-10

The line-of-sight magnetograms from Solar Optical Telescope Narrowband Filter Imager observations of NOAA Active Region 10930 have been used to study the evolution of spinning and braiding helicities over a period of five days starting from 2006 December 9. The north (N) polarity sunspot was the follower and the south (S) polarity sunspot was the leader. The N-polarity sunspot in the active region was rotating in the counterclockwise direction. The rate of rotation was small during the first two days of observations and it increased up to 8 Degree-Sign hr{sup -1} on the third day of the observations. On themore » fourth and fifth days it remained at 4 Degree-Sign hr{sup -1} with small undulations in its magnitude. The sunspot rotated about 260 Degree-Sign in the last three days. The S-polarity sunspot did not complete more than 20 Degree-Sign in five days. However, it changed its direction of rotation five times over a period of five days and injected both the positive and negative type of spin helicity fluxes into the corona. Through the five days, both the positive and negative sunspot regions injected equal amounts of spin helicity. The total injected helicity is predominantly negative in sign. However, the sign of the spin and braiding helicity fluxes computed over all the regions were reversed from negative to positive five times during the five-day period of observations. The reversal in spinning helicity flux was found before the onset of the X3.4-class flare, too. Though, the rotating sunspot has been observed in this active region, the braiding helicity has contributed more to the total accumulated helicity than the spinning helicity. The accumulated helicity is in excess of -7 Multiplication-Sign 10{sup 43} Mx{sup 2} over a period of five days. Before the X3.4-class flare that occurred on 2006 December 13, the rotation speed and spin helicity flux increased in the S-polarity sunspot. Before the flare, the total injected helicity was larger than -6 Multiplication-Sign 10{sup 43} Mx{sup 2}. The observed reversal in the sign of spinning and braiding helicity fluxes could be the signature of the emergence of a twisted flux tube, which acquires the writhe of an opposite sign. The magnetic cloud associated with the ejected mass has carried about -7 Multiplication-Sign 10{sup 41} Mx{sup 2} of helicity. A time integration of helicity flux of about 1.2 hr integrated backward in time of the observation of the coronal mass ejection is sufficient for this event.« less

3D nanomolding and fluid mixing in micromixers with micro-patterned microchannel walls

NASA Astrophysics Data System (ADS)

Farshchian, Bahador; Amirsadeghi, Alborz; Choi, Junseo; Park, Daniel S.; Kim, Namwon; Park, Sunggook

2017-03-01

Microfluidic devices where the microchannel walls were decorated with micro and nanostructures were fabricated using 3D nanomolding. Using 3D molded microfluidic devices with microchannel walls decorated with microscale gratings, the fluid mixing behavior was investigated through experiments and numerical simulation. The use of microscale gratings in the micromixer was predicated by the fact that large obstacles in a microchannel enhances the mixing performance. Slanted ratchet gratings on the channel walls resulted in a helical flow along the microchannel, thus increasing the interfacial area between fluids and cutting down the diffusion length. Increasing the number of walls decorated with continuous ratchet gratings intensified the strength of the helical flow, enhancing mixing further. When ratchet gratings on the surface of the top cover plate were aligned in a direction to break the continuity of gratings from the other three walls, a stack of two helical flows was formed one above each other. This work concludes that the 3D nanomolding process can be a cost-effective tool for scaling-up the fabrication of microfluidic mixers with improved mixing efficiencies.[Figure not available: see fulltext.

Gadopentetate dimeglumine is potentially an alternative contrast agent for three-dimensional computed tomography angiography with multidetector-row helical scanning.

PubMed

Gupta, Atul K; Alberico, Ronald A; Litwin, Alan; Kanter, Peter; Grossman, Zachary D

2002-01-01

To demonstrate that gadopentetate dimeglumine is potentially an alternative contrast medium for computed tomographic angiography (CTA). One 12.2-kg Beagle dog was studied as proof of principle; the cervical vessels of three adult human patients were imaged for presurgical planning of the neck. Gadopentetate dimeglumine, 0.5 mol/l (Berlex Laboratories, Wayne, NJ, U.S.A.), a LightSpeed QX/i CT (General Electric Medical Systems, Milwaukee, WI, U.S.A.), and an Ultra Sparc II (SUN Microsystems, Santa Clara, CA, U.S.A.) running Advantage Windows 3.1 (General Electric Medical Systems) were used. Sufficient enhancement for CTA of the thoracic aorta, cervical vessels, and abdominal vessels was produced in the experimental dog, and the cervical vessels were clearly defined in all three patients. In that subset of patients with contraindications to iodinated contrast medium and for whom magnetic resonance angiography is inappropriate, gadopentetate dimeglumine may be an alternative contrast medium for CTA.

MBAR-enhanced lattice Monte Carlo simulation of the effect of helices on membrane protein aggregation

NASA Astrophysics Data System (ADS)

Xu, Yuanwei; Rodger, P. Mark

2017-03-01

We study the effect of helical structure on the aggregation of proteins using a simplified lattice protein model with an implicit membrane environment. A recently proposed Monte Carlo approach, which exploits the proven statistical optimality of the MBAR estimator in order to improve simulation efficiency, was used. The results show that with both two and four proteins present, the tendency to aggregate is strongly expedited by the presence of amphipathic helix (APH), whereas a transmembrane helix (TMH) slightly disfavours aggregation. When four protein molecules are present, partially aggregated states (dimers and trimers) were more common when the APH was present, compared with the cases where no helices or only the TMH is present.

Holliday Triangle Hunter (HolT Hunter): Efficient Software for Identifying Low Strain DNA Triangular Configurations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sherman, W.B.

2012-04-16

Synthetic DNA nanostructures are typically held together primarily by Holliday junctions. One of the most basic types of structures possible to assemble with only DNA and Holliday junctions is the triangle. To date, however, only equilateral triangles have been assembled in this manner - primarily because it is difficult to figure out what configurations of Holliday triangles have low strain. Early attempts at identifying such configurations relied upon calculations that followed the strained helical paths of DNA. Those methods, however, were computationally expensive, and failed to find many of the possible solutions. I have developed a new approach to identifyingmore » Holliday triangles that is computationally faster, and finds well over 95% of the possible solutions. The new approach is based on splitting the problem into two parts. The first part involves figuring out all the different ways that three featureless rods of the appropriate length and diameter can weave over and under one another to form a triangle. The second part of the computation entails seeing whether double helical DNA backbones can fit into the shape dictated by the rods in such a manner that the strands can cross over from one domain to the other at the appropriate spots. Structures with low strain (that is, good fit between the rods and the helices) on all three edges are recorded as promising for assembly.« less

Self-(Un)rolling Biopolymer Microstructures: Rings, Tubules, and Helical Tubules from the Same Material.

PubMed

Ye, Chunhong; Nikolov, Svetoslav V; Calabrese, Rossella; Dindar, Amir; Alexeev, Alexander; Kippelen, Bernard; Kaplan, David L; Tsukruk, Vladimir V

2015-07-13

We have demonstrated the facile formation of reversible and fast self-rolling biopolymer microstructures from sandwiched active-passive, silk-on-silk materials. Both experimental and modeling results confirmed that the shape of individual sheets effectively controls biaxial stresses within these sheets, which can self-roll into distinct 3D structures including microscopic rings, tubules, and helical tubules. This is a unique example of tailoring self-rolled 3D geometries through shape design without changing the inner morphology of active bimorph biomaterials. In contrast to traditional organic-soluble synthetic materials, we utilized a biocompatible and biodegradable biopolymer that underwent a facile aqueous layer-by-layer (LbL) assembly process for the fabrication of 2D films. The resulting films can undergo reversible pH-triggered rolling/unrolling, with a variety of 3D structures forming from biopolymer structures that have identical morphology and composition. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cardiomyopathy mutations in the tail of β-cardiac myosin modify the coiled-coil structure and affect integration into thick filaments in muscle sarcomeres in adult cardiomyocytes.

PubMed

Wolny, Marcin; Colegrave, Melanie; Colman, Lucy; White, Ed; Knight, Peter J; Peckham, Michelle

2013-11-01

It is unclear why mutations in the filament-forming tail of myosin heavy chain (MHC) cause hypertrophic or dilated cardiomyopathy as these mutations should not directly affect contraction. To investigate this, we first investigated the impact of five hypertrophic cardiomyopathy-causing (N1327K, E1356K, R1382W, E1555K, and R1768K) and one dilated cardiomyopathy-causing (R1500W) tail mutations on their ability to incorporate into muscle sarcomeres in vivo. We used adenoviral delivery to express full-length wild type or mutant enhanced GFP-MHC in isolated adult cardiomyocytes. Three mutations (N1327K, E1356K, and E1555K) reduced enhanced GFP-MHC incorporation into muscle sarcomeres, whereas the remainder had no effect. No mutations significantly affected contraction. Fluorescence recovery after photobleaching showed that fluorescence recovery for the mutation that incorporated least well (N1327K) was significantly faster than that of WT with half-times of 25.1 ± 1.8 and 32.2 ± 2.5 min (mean ± S.E.), respectively. Next, we determined the effects of each mutation on the helical properties of wild type and seven mutant peptides (7, 11, or 15 heptads long) from the myosin tail by circular dichroism. R1382W and E1768K slightly increased the α-helical nature of peptides. The remaining mutations reduced α-helical content, with N1327K showing the greatest reduction. Only peptides containing residues 1301-1329 were highly α-helical suggesting that this region helps in initiation of coiled coil. These results suggest that small effects of mutations on helicity translate into a reduced ability to incorporate into sarcomeres, which may elicit compensatory hypertrophy.

Application of 1-aminocyclohexane carboxylic acid to protein nanostructure computer design

PubMed Central

Rodríguez-Ropero, Francisco; Zanuy, David; Casanovas, Jordi; Nussinov, Ruth; Alemán, Carlos

2009-01-01

Conformationally restricted amino acids are promising candidates to serve as basic pieces in redesigned protein motifs which constitute the basic modules in synthetic nanoconstructs. Here we study the ability of constrained cyclic amino acid 1-aminocyclohexane-1-carboxylic acid (Ac6c) to stabilize highly regular β-helical motifs excised from naturally occurring proteins. Calculations indicate that the conformational flexibility observed in both the ring and the main chain is significantly higher than that detected for other 1-aminocycloalkane-1-carboxylic acid (Acnc, where n refers to the size of the ring) with smaller cycles. Incorporation of Ac6c into the flexible loops of β-helical motifs indicates that the stability of such excised building blocks as well as the nano-assemblies derived from them is significantly enhanced. Thus, the intrinsic Ac6c tendency to adopt folded conformations combined with the low structural strain of the cyclohexane ring confers the ability to both self-adapt to the β-helix motif and to stabilize the overall structure by absorbing part of its conformational fluctuations. Comparison with other Acnc residues indicates that the ability to adapt to the targeted position improves considerably with the ring size, i.e. when the rigidity introduced by the strain of the ring decreases. PMID:18201062

Investigating the nature of chiral near-field interactions

NASA Astrophysics Data System (ADS)

Barr, Lauren E.; Horsley, Simon A. R.; Hooper, Ian R.; Eager, Jake K.; Gallagher, Cameron P.; Hornett, Samuel M.; Hibbins, Alastair P.; Hendry, Euan

2018-04-01

In recent years, there have been reports of enhanced chiroptical interactions in the near-fields of antennas, postulated to be mediated by high spatial gradients in the electromagnetic fields. Here, using gigahertz experimentation, we investigate the nature of the chiral near-field generated by an array of staggered-rod antennas through its interaction with an array of aligned, subwavelength metallic helices. This allows us to eliminate many potential origins of enhancements, such as those associated with plasmon-exciton interactions, and search solely for enhancements due to the high spatial gradients in the chirality of the fields around chiral antennas (so-called `superchiral fields'). By comparing the strength of the chiral interaction with our helices to that of a homogeneous chiral layer with effective material parameters, we find that the strength of this chiral interaction can be predicted using a completely local effective medium approximation. This suggests no obvious enhancement in the chiral interaction in the near-field and indicates that nonlocal interactions are negligible in this system.

Synergistic Enhancement of Microwave Absorption Using Hybridized Polyaniline@helical CNTs with Dual Chirality.

PubMed

Tian, Xin; Meng, Fanbin; Meng, Fanchen; Chen, Xiangnan; Guo, Yifan; Wang, Ying; Zhu, Wenjun; Zhou, Zuowan

2017-05-10

In this study, we designed a dual-chirality hierarchical structure to achieve a synergistically enhanced effect in microwave absorption via the hybridization of nanomaterials. Herein, polyaniline (PANi) nanorods with tunable chirality are grown on helical carbon nanotubes (HCNTs), a typical nanoscale chiral structure, through in situ polymerization. The experimental results show that the hierarchical hybrids (PANi@HCNTs) exhibit distinctly dual chirality and a significant enhancement in electromagnetic (EM) losses compared to those of either pure PANi or HCNTs. The maximum reflection loss of the as-prepared hybrids can reach -32.5 dB at 8.9 GHz. Further analysis demonstrates that combinations of chiral acid-doped PANi and coiled HCNTs with molecular and nanoscale chirality lead to synergistic effects resulting from the dual chirality. The so-called cross-polarization may result in additional interactions with induced EM waves in addition to multiscaled relaxations from functional groups and interfacial polarizations, which can benefit EM absorption.

Simulation Study of the Helical Superconducting Undulator Installation at the Advanced Photon Source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sajaev, V.; Borland, M.; Sun, Y.

A helical superconducting undulator is planned for installation at the APS. Such an installation would be first of its kind – helical devices were never installed in synchrotron light sources before. Due to its reduced horizontal aperture, a lattice modification is required to accommodate for large horizontal oscillations during injection. We describe the lattice change details and show the new lattice experimental test results. To understand the effect of the undulator on single-particle dynamics, first, its kick maps were computed using different methods. We have found that often-used Elleaume formula* for kick maps gives wrong results for this undulator. Wemore » then used the kick maps obtained by other methods to simulate the effect of the undulator on injection and lifetime.« less

Electronic Band Structure of Helical Polyisocyanides.

PubMed

Champagne, Benoît; Liégeois, Vincent; Fripiat, Joseph G; Harris, Frank E

2017-10-19

Restricted Hartree-Fock computations are reported for a methyl isocyanide polymer (repeating unit -C═N-CH 3 ), whose most stable conformation is expected to be a helical chain. The computations used a standard contracted Gaussian orbital set at the computational levels STO-3G, 3-21G, 6-31G, and 6-31G**, and studies were made for two line-group configurations motivated by earlier work and by studies of space-filling molecular models: (1) A structure of line-group symmetry L9 5 , containing a 9-fold screw axis with atoms displaced in the axial direction by 5/9 times the lattice constant, and (2) a structure of symmetry L4 1 that had been proposed, containing a 4-fold screw axis with translation by 1/4 of the lattice constant. Full use of the line-group symmetry was employed to cause most of the computational complexity to depend only on the size of the asymmetric repeating unit. Data reported include computed bond properties, atomic charge distribution, longitudinal polarizability, band structure, and the convoluted density of states. Most features of the description were found to be insensitive to the level of computational approximation. The work also illustrates the importance of exploiting line-group symmetry to extend the range of polymer structural problems that can be treated computationally.

All two-loop maximally helicity-violating amplitudes in multi-Regge kinematics from applied symbology

NASA Astrophysics Data System (ADS)

Prygarin, Alexander; Spradlin, Marcus; Vergu, Cristian; Volovich, Anastasia

2012-04-01

Recent progress on scattering amplitudes has benefited from the mathematical technology of symbols for efficiently handling the types of polylogarithm functions which frequently appear in multiloop computations. The symbol for all two-loop maximally helicity violating amplitudes in planar supersymmetric Yang-Mills theory is known, but explicit analytic formulas for the amplitudes are hard to come by except in special limits where things simplify, such as multi-Regge kinematics. By applying symbology we obtain a formula for the leading behavior of the imaginary part (the Mandelstam cut contribution) of this amplitude in multi-Regge kinematics for any number of gluons. Our result predicts a simple recursive structure which agrees with a direct Balitsky-Fadin-Kuraev-Lipatov computation carried out in a parallel publication.

Generation and Computerized Simulation of Meshing and Contact of Modified Involute Helical Gears

NASA Technical Reports Server (NTRS)

Litvin, Faydor L.; Chen, Ningxin; Lu, Jian

1995-01-01

The design and generation of modified involute helical gears that have a localized and stable bearing contact, and reduced noise and vibration characteristics are described. The localization of the bearing contact is achieved by the mismatch of the two generating surfaces that are used for generation of the pinion and the gear. The reduction of noise and vibration will be achieved by application of a parabolic function of transmission errors that is able to absorb the almost linear function of transmission errors caused by gear misalignment. The meshing and contact of misaligned gear drives can be analyzed by application of computer programs that have been developed. The computations confirmed the effectiveness of the proposed modification of the gear geometry. A numerical example that illustrates the developed theory is provided.

Hall effect on a Merging Formation Process of a Field-Reversed Configuration

NASA Astrophysics Data System (ADS)

Kaminou, Yasuhiro; Guo, Xuehan; Inomoto, Michiaki; Ono, Yasushi; Horiuchi, Ritoku

2015-11-01

Counter-helicity spheromak merging is one of the formation methods of a Field-Reversed Configuration (FRC). In counter-helicity spheromak merging, two spheromaks with opposing toroidal fields merge together, through magnetic reconnection events and relax into a FRC, which has no or little toroidal field. This process contains magnetic reconnection and a relaxation phenomena, and the Hall effect has some essential effects on these process because the X-point in the magnetic reconnection or the O-point of the FRC has no or little magnetic field. However, the Hall effect as both global and local effect on counter-helicity spheromak merging has not been elucidated. In this poster, we conducted 2D/3D Hall-MHD simulations and experiments of counter-helicity spheromak merging. We find that the Hall effect enhances the reconnection rate, and reduces the generation of toroidal sheared-flow. The suppression of the ``slingshot effect'' affects the relaxation process. We will discuss details in the poster.

Contribution of long-range interactions to the secondary structure of an unfolded globin.

PubMed

Fedyukina, Daria V; Rajagopalan, Senapathy; Sekhar, Ashok; Fulmer, Eric C; Eun, Ye-Jin; Cavagnero, Silvia

2010-09-08

This work explores the effect of long-range tertiary contacts on the distribution of residual secondary structure in the unfolded state of an alpha-helical protein. N-terminal fragments of increasing length, in conjunction with multidimensional nuclear magnetic resonance, were employed. A protein representative of the ubiquitous globin fold was chosen as the model system. We found that, while most of the detectable alpha-helical population in the unfolded ensemble does not depend on the presence of the C-terminal region (corresponding to the native G and H helices), specific N-to-C long-range contacts between the H and A-B-C regions enhance the helical secondary structure content of the N terminus (A-B-C regions). The simple approach introduced here, based on the evaluation of N-terminal polypeptide fragments of increasing length, is of general applicability to identify the influence of long-range interactions in unfolded proteins. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Sinogram restoration in computed tomography with an edge-preserving penalty

PubMed Central

Little, Kevin J.; La Rivière, Patrick J.

2015-01-01

Purpose: With the goal of producing a less computationally intensive alternative to fully iterative penalized-likelihood image reconstruction, our group has explored the use of penalized-likelihood sinogram restoration for transmission tomography. Previously, we have exclusively used a quadratic penalty in our restoration objective function. However, a quadratic penalty does not excel at preserving edges while reducing noise. Here, we derive a restoration update equation for nonquadratic penalties. Additionally, we perform a feasibility study to extend our sinogram restoration method to a helical cone-beam geometry and clinical data. Methods: A restoration update equation for nonquadratic penalties is derived using separable parabolic surrogates (SPS). A method for calculating sinogram degradation coefficients for a helical cone-beam geometry is proposed. Using simulated data, sinogram restorations are performed using both a quadratic penalty and the edge-preserving Huber penalty. After sinogram restoration, Fourier-based analytical methods are used to obtain reconstructions, and resolution-noise trade-offs are investigated. For the fan-beam geometry, a comparison is made to image-domain SPS reconstruction using the Huber penalty. The effects of varying object size and contrast are also investigated. For the helical cone-beam geometry, we investigate the effect of helical pitch (axial movement/rotation). Huber-penalty sinogram restoration is performed on 3D clinical data, and the reconstructed images are compared to those generated with no restoration. Results: We find that by applying the edge-preserving Huber penalty to our sinogram restoration methods, the reconstructed image has a better resolution-noise relationship than an image produced using a quadratic penalty in the sinogram restoration. However, we find that this relatively straightforward approach to edge preservation in the sinogram domain is affected by the physical size of imaged objects in addition to the contrast across the edge. This presents some disadvantages of this method relative to image-domain edge-preserving methods, although the computational burden of the sinogram-domain approach is much lower. For a helical cone-beam geometry, we found applying sinogram restoration in 3D was reasonable and that pitch did not make a significant difference in the general effect of sinogram restoration. The application of Huber-penalty sinogram restoration to clinical data resulted in a reconstruction with less noise while retaining resolution. Conclusions: Sinogram restoration with the Huber penalty is able to provide better resolution-noise performance than restoration with a quadratic penalty. Additionally, sinogram restoration with the Huber penalty is feasible for helical cone-beam CT and can be applied to clinical data. PMID:25735286

Sinogram restoration in computed tomography with an edge-preserving penalty

DOE Office of Scientific and Technical Information (OSTI.GOV)

Little, Kevin J., E-mail: little@uchicago.edu; La Rivière, Patrick J.

2015-03-15

Purpose: With the goal of producing a less computationally intensive alternative to fully iterative penalized-likelihood image reconstruction, our group has explored the use of penalized-likelihood sinogram restoration for transmission tomography. Previously, we have exclusively used a quadratic penalty in our restoration objective function. However, a quadratic penalty does not excel at preserving edges while reducing noise. Here, we derive a restoration update equation for nonquadratic penalties. Additionally, we perform a feasibility study to extend our sinogram restoration method to a helical cone-beam geometry and clinical data. Methods: A restoration update equation for nonquadratic penalties is derived using separable parabolic surrogatesmore » (SPS). A method for calculating sinogram degradation coefficients for a helical cone-beam geometry is proposed. Using simulated data, sinogram restorations are performed using both a quadratic penalty and the edge-preserving Huber penalty. After sinogram restoration, Fourier-based analytical methods are used to obtain reconstructions, and resolution-noise trade-offs are investigated. For the fan-beam geometry, a comparison is made to image-domain SPS reconstruction using the Huber penalty. The effects of varying object size and contrast are also investigated. For the helical cone-beam geometry, we investigate the effect of helical pitch (axial movement/rotation). Huber-penalty sinogram restoration is performed on 3D clinical data, and the reconstructed images are compared to those generated with no restoration. Results: We find that by applying the edge-preserving Huber penalty to our sinogram restoration methods, the reconstructed image has a better resolution-noise relationship than an image produced using a quadratic penalty in the sinogram restoration. However, we find that this relatively straightforward approach to edge preservation in the sinogram domain is affected by the physical size of imaged objects in addition to the contrast across the edge. This presents some disadvantages of this method relative to image-domain edge-preserving methods, although the computational burden of the sinogram-domain approach is much lower. For a helical cone-beam geometry, we found applying sinogram restoration in 3D was reasonable and that pitch did not make a significant difference in the general effect of sinogram restoration. The application of Huber-penalty sinogram restoration to clinical data resulted in a reconstruction with less noise while retaining resolution. Conclusions: Sinogram restoration with the Huber penalty is able to provide better resolution-noise performance than restoration with a quadratic penalty. Additionally, sinogram restoration with the Huber penalty is feasible for helical cone-beam CT and can be applied to clinical data.« less

Aerodynamics and Acoustics of Propellers, Conference Proceedings of the Fluid Dynamics Symposium Held at Toronto, Canada on 1-4 October 1984

DTIC Science & Technology

1985-02-01

stationnaire. Le Systeme pseudo-instationnaire est constrult en rempla^ant 1 equation de 1’energie le) par la condition de rothalpie uniforme I ■ cte et...la definition de nouvelles helices permet des gains substantiels pour tout le domaine de vol et, notanment, au decollage et en montee. Nous...etudes d’un tel Systeme sont effectuees et I’essai d’une maquette dans la grande soufflerie transsonique SI de Modane est prevu en 1985. On presente

The Contribution of Interchain Salt Bridges to Triple-Helical Stability in Collagen

PubMed Central

Gurry, Thomas; Nerenberg, Paul S.; Stultz, Collin M.

2010-01-01

Abstract Studies on collagen and collagen-like peptides suggest that triple-helical stability can vary along the amino acid chain. In this regard, it has been shown that lysine residues in the Y position and acidic residues in the X′ position of (GPO)3GXYGX′Y′(GPO)3 peptides lead to triple-helical structures with melting temperatures similar to (GPO)8 (where O is hydroxyproline), which is generally regarded as the most stable collagen-like sequence of this length. This enhanced stability has been attributed to the formation of salt bridges between adjacent collagen chains. In this study, we explore the relationship between interchain salt bridge formation and triple-helical stability using detailed molecular simulations. Although our results confirm that salt bridges promote triple-helical stability, we find that not all salt bridges are created equal. In particular, lysine-glutamate salt bridges are most stabilizing when formed between residues in the middle strand (B) and the trailing strand (C), whereas lysine-aspartate salt bridges are most stabilizing when formed between residues in the leading (A) and middle (B) strand—the latter observation being consistent with recent NMR data on a heterotrimeric model peptide. Overall, we believe these data clarify the role of salt bridges in modulating triple-helical stability and can be used to guide the design of collagen-like peptides that have specific interchain interactions. PMID:20513408

Conversion of Natively Unstructured α-Synuclein to Its α-Helical Conformation Significantly Attenuates Production of Reactive Oxygen Species

PubMed Central

Zhou, Binbin; Hao, Yuanqiang; Wang, Chengshan; Li, Ding; Liu, You-Nian; Zhou, Feimeng

2012-01-01

The intracellular α-synuclein (α-syn) protein, whose conformational change and aggregation have been closely linked to the pathology of Parkingson’s disease (PD), is highly populated at the presynaptic termini and remains there in the α-helical conformation. In this study, circular dichroism confirmed that natively unstructured α-syn in aqueous solution was transformed to its α-helical conformation upon addition of trifluoroethanol (TFE). Electrochemical and UV–visible spectroscopic experiments reveal that both Cu(I) and Cu(II) are stabilized, with the former being stabilized by about two orders of magnitude. Compared to unstructured α-syn (Binolfi et al., J. Am. Chem. Soc. 133 (2011) 194–196), α-helical α-syn stabilizes Cu(I) by more than three orders of magnitude. Through the measurements of H2O2 and hydroxyl radicals (OH•) in solutions containing different forms of Cu(II) (free and complexed by unstructured or α-helical α-syn), we demonstrate that the significantly enhanced Cu(I) binding affinity helps inhibit the production of highly toxic reactive oxygen species, especially the hydroxyl radicals. Our study provides strong evidence that, as a possible means to prevent neuronal cell damage, conversion of the natively unstructured α-syn to its α-helical conformation in vivo could significantly attenuate the copper-modulated ROS production. PMID:23123341

Structure determination of helical filaments by solid-state NMR spectroscopy

PubMed Central

Ahmed, Mumdooh; Spehr, Johannes; König, Renate; Lünsdorf, Heinrich; Rand, Ulfert; Lührs, Thorsten; Ritter, Christiane

2016-01-01

The controlled formation of filamentous protein complexes plays a crucial role in many biological systems and represents an emerging paradigm in signal transduction. The mitochondrial antiviral signaling protein (MAVS) is a central signal transduction hub in innate immunity that is activated by a receptor-induced conversion into helical superstructures (filaments) assembled from its globular caspase activation and recruitment domain. Solid-state NMR (ssNMR) spectroscopy has become one of the most powerful techniques for atomic resolution structures of protein fibrils. However, for helical filaments, the determination of the correct symmetry parameters has remained a significant hurdle for any structural technique and could thus far not be precisely derived from ssNMR data. Here, we solved the atomic resolution structure of helical MAVSCARD filaments exclusively from ssNMR data. We present a generally applicable approach that systematically explores the helical symmetry space by efficient modeling of the helical structure restrained by interprotomer ssNMR distance restraints. Together with classical automated NMR structure calculation, this allowed us to faithfully determine the symmetry that defines the entire assembly. To validate our structure, we probed the protomer arrangement by solvent paramagnetic resonance enhancement, analysis of chemical shift differences relative to the solution NMR structure of the monomer, and mutagenesis. We provide detailed information on the atomic contacts that determine filament stability and describe mechanistic details on the formation of signaling-competent MAVS filaments from inactive monomers. PMID:26733681

Recognition of DNA bulges by dinuclear iron(II) metallosupramolecular helicates.

PubMed

Malina, Jaroslav; Hannon, Michael J; Brabec, Viktor

2014-02-01

Bulged DNA structures are of general biological significance because of their important roles in a number of biochemical processes. Compounds capable of targeting bulged DNA sequences can be used as probes for studying their role in nucleic acid function, or could even have significant therapeutic potential. The interaction of [Fe(2)L(3)](4+) metallosupramolecular helicates (L = C(25)H(20)N(4)) with DNA duplexes containing bulges has been studied by measurement of the DNA melting temperature and gel electrophoresis. This study was aimed at exploring binding affinities of the helicates for DNA bulges of various sizes and nucleotide sequences. The studies reported herein reveal that both enantiomers of [Fe(2)L(3)](4+) bind to DNA bulges containing at least two unpaired nucleotides. In addition, these helicates show considerably enhanced affinity for duplexes containing unpaired pyrimidines in the bulge and/or pyrimidines flanking the bulge on both sides. We suggest that the bulge creates the structural motif, such as the triangular prismatic pocket formed by the unpaired bulge bases, to accommodate the [Fe(2)L(3)](4+) helicate molecule, and is probably responsible for the affinity for duplexes with a varying number of bulge bases. Our results reveal that DNA bulges represent another example of unusual DNA structures recognized by dinuclear iron(II) ([Fe(2)L(3)](4+)) supramolecular helicates. © 2013 FEBS.

De novo self-assembling collagen heterotrimers using explicit positive and negative design.

PubMed

Xu, Fei; Zhang, Lei; Koder, Ronald L; Nanda, Vikas

2010-03-23

We sought to computationally design model collagen peptides that specifically associate as heterotrimers. Computational design has been successfully applied to the creation of new protein folds and functions. Despite the high abundance of collagen and its key role in numerous biological processes, fibrous proteins have received little attention as computational design targets. Collagens are composed of three polypeptide chains that wind into triple helices. We developed a discrete computational model to design heterotrimer-forming collagen-like peptides. Stability and specificity of oligomerization were concurrently targeted using a combined positive and negative design approach. The sequences of three 30-residue peptides, A, B, and C, were optimized to favor charge-pair interactions in an ABC heterotrimer, while disfavoring the 26 competing oligomers (i.e., AAA, ABB, BCA). Peptides were synthesized and characterized for thermal stability and triple-helical structure by circular dichroism and NMR. A unique A:B:C-type species was not achieved. Negative design was partially successful, with only A + B and B + C competing mixtures formed. Analysis of computed versus experimental stabilities helps to clarify the role of electrostatics and secondary-structure propensities determining collagen stability and to provide important insight into how subsequent designs can be improved.

Review of Slow-Wave Structures

NASA Technical Reports Server (NTRS)

Wallett, Thomas M.; Qureshi, A. Haq

1994-01-01

The majority of recent theoretical and experimental reports published in the literature dealing with helical slow-wave structures focus on the dispersion characteristics and their effects due to the finite helix wire thickness and attenuation, dielectric loading, metal loading, and the introduction of plasma. In many papers, an effective dielectric constant is used to take into account helix wire dimensions and conductivity losses, while the propagation constant of the signal and the interaction impedance of the structure are found to depend on the surface resistivity of the helix. Also, various dielectric supporting rods are simulated by one or several uniform cylinders having an effective dielectric constant, while metal vane loading and plasma effects are incorporated in the effective dielectric constant. The papers dealing with coupled cavities and folded or loaded wave guides describe equivalent circuit models, efficiency enhancement, and the prediction of instabilities for these structures. Equivalent circuit models of various structures are found using computer software programs SUPERFISH and TOUCHSTONE. Efficiency enhancement in tubes is achieved through dynamic velocity and phase adjusted tapers using computer techniques. The stability threshold of unwanted antisymmetric and higher order modes is predicted using SOS and MAGIC codes and the dependence of higher order modes on beam conductance, section length, and effective Q of a cavity is shown.

All conjugate-maximal-helicity-violating amplitudes from topological open string theory in twistor space.

PubMed

Roiban, Radu; Volovich, Anastasia

2004-09-24

It has recently been proposed that the D-instanton expansion of the open topological B model on P(3|4) is equivalent to the perturbative expansion of the maximally supersymmetric Yang-Mills theory in four dimensions. In this letter we show how to construct the gauge theory results for all n-point conjugate-maximal-helicity-violating amplitudes by computing the integral over the moduli space of curves of degree n-3 in P(3|4), providing strong support to the string theory construction.

Computing the qg → qg cross section using the BCFW recursion and introduction to jet tomography in heavy ion collisions via MHV techniques

NASA Astrophysics Data System (ADS)

Rabemananajara, Tanjona R.; Horowitz, W. A.

2017-09-01

To make predictions for the particle physics processes, one has to compute the cross section of the specific process as this is what one can measure in a modern collider experiment such as the Large Hadron Collider (LHC) at CERN. Theoretically, it has been proven to be extremely difficult to compute scattering amplitudes using conventional methods of Feynman. Calculations with Feynman diagrams are realizations of a perturbative expansion and when doing calculations one has to set up all topologically different diagrams, for a given process up to a given order of coupling in the theory. This quickly makes the calculation of scattering amplitudes a hot mess. Fortunately, one can simplify calculations by considering the helicity amplitude for the Maximally Helicity Violating (MHV). This can be extended to the formalism of on-shell recursion, which is able to derive, in a much simpler way the expression of a high order scattering amplitude from lower orders.

Helical vortices generated by flapping wings of bumblebees

NASA Astrophysics Data System (ADS)

Engels, Thomas; Kolomenskiy, Dmitry; Schneider, Kai; Farge, Marie; Lehmann, Fritz-Olaf; Sesterhenn, Jörn

2018-02-01

High resolution direct numerical simulations of rotating and flapping bumblebee wings are presented and their aerodynamics is studied focusing on the role of leading edge vortices and the associated helicity production. We first study the flow generated by only one rotating bumblebee wing in circular motion with 45◦ angle of attack. We then consider a model bumblebee flying in a numerical wind tunnel, which is tethered and has rigid wings flapping with a prescribed generic motion. The inflow condition of the wind varies from laminar to strongly turbulent regimes. Massively parallel simulations show that inflow turbulence does not significantly alter the wings’ leading edge vortex, which enhances lift production. Finally, we focus on studying the helicity of the generated vortices and analyze their contribution at different scales using orthogonal wavelets.

Scaling laws and reduced-order models for mixing and reactive-transport in heterogeneous anisotropic porous media

NASA Astrophysics Data System (ADS)

Mudunuru, M. K.; Karra, S.; Nakshatrala, K. B.

2016-12-01

Fundamental to enhancement and control of the macroscopic spreading, mixing, and dilution of solute plumes in porous media structures is the topology of flow field and underlying heterogeneity and anisotropy contrast of porous media. Traditionally, in literature, the main focus was limited to the shearing effects of flow field (i.e., flow has zero helical density, meaning that flow is always perpendicular to vorticity vector) on scalar mixing [2]. However, the combined effect of anisotropy of the porous media and the helical structure (or chaotic nature) of the flow field on the species reactive-transport and mixing has been rarely studied. Recently, it has been experimentally shown that there is an irrefutable evidence that chaotic advection and helical flows are inherent in porous media flows [1,2]. In this poster presentation, we present a non-intrusive physics-based model-order reduction framework to quantify the effects of species mixing in-terms of reduced-order models (ROMs) and scaling laws. The ROM framework is constructed based on the recent advancements in non-negative formulations for reactive-transport in heterogeneous anisotropic porous media [3] and non-intrusive ROM methods [4]. The objective is to generate computationally efficient and accurate ROMs for species mixing for different values of input data and reactive-transport model parameters. This is achieved by using multiple ROMs, which is a way to determine the robustness of the proposed framework. Sensitivity analysis is performed to identify the important parameters. Representative numerical examples from reactive-transport are presented to illustrate the importance of the proposed ROMs to accurately describe mixing process in porous media. [1] Lester, Metcalfe, and Trefry, "Is chaotic advection inherent to porous media flow?," PRL, 2013. [2] Ye, Chiogna, Cirpka, Grathwohl, and Rolle, "Experimental evidence of helical flow in porous media," PRL, 2015. [3] Mudunuru, and Nakshatrala, "On enforcing maximum principles and achieving element-wise species balance for advection-diffusion-reaction equations under the finite element method," JCP, 2016. [4] Quarteroni, Manzoni, and Negri. "Reduced Basis Methods for Partial Differential Equations: An Introduction," Springer, 2016.

Hemispheric Patterns in Electric Current Helicity of Solar Magnetic Fields During Solar Cycle 24: Results from SOLIS, SDO and Hinode

NASA Astrophysics Data System (ADS)

Gusain, S.

2017-12-01

We study the hemispheric patterns in electric current helicity distribution on the Sun. Magnetic field vector in the photosphere is now routinely measured by variety of instruments. SOLIS/VSM of NSO observes full disk Stokes spectra in photospheric lines which are used to derive vector magnetograms. Hinode SP is a space based spectropolarimeter which has the same observable as SOLIS albeit with limited field-of-view (FOV) but high spatial resolution. SDO/HMI derives vector magnetograms from full disk Stokes measurements, with rather limited spectral resolution, from space in a different photospheric line. Further, these datasets now exist for several years. SOLIS/VSM from 2003, Hinode SP from 2006, and SDO HMI since 2010. Using these time series of vector magnetograms we compute the electric current density in active regions during solar cycle 24 and study the hemispheric distributions. Many studies show that the helicity parameters and proxies show a strong hemispheric bias, such that Northern hemisphere has preferentially negative and southern positive helicity, respectively. We will confirm these results for cycle 24 from three different datasets and evaluate the statistical significance of the hemispheric bias. Further, we discuss the solar cycle variation in the hemispheric helicity pattern during cycle 24 and discuss its implications in terms of solar dynamo models.

Weaving Knotted Vector Fields with Tunable Helicity.

PubMed

Kedia, Hridesh; Foster, David; Dennis, Mark R; Irvine, William T M

2016-12-30

We present a general construction of divergence-free knotted vector fields from complex scalar fields, whose closed field lines encode many kinds of knots and links, including torus knots, their cables, the figure-8 knot, and its generalizations. As finite-energy physical fields, they represent initial states for fields such as the magnetic field in a plasma, or the vorticity field in a fluid. We give a systematic procedure for calculating the vector potential, starting from complex scalar functions with knotted zero filaments, thus enabling an explicit computation of the helicity of these knotted fields. The construction can be used to generate isolated knotted flux tubes, filled by knots encoded in the lines of the vector field. Lastly, we give examples of manifestly knotted vector fields with vanishing helicity. Our results provide building blocks for analytical models and simulations alike.

Competition between B-Z and B-L transitions in a single DNA molecule: Computational studies

NASA Astrophysics Data System (ADS)

Kwon, Ah-Young; Nam, Gi-Moon; Johner, Albert; Kim, Seyong; Hong, Seok-Cheol; Lee, Nam-Kyung

2016-02-01

Under negative torsion, DNA adopts left-handed helical forms, such as Z-DNA and L-DNA. Using the random copolymer model developed for a wormlike chain, we represent a single DNA molecule with structural heterogeneity as a helical chain consisting of monomers which can be characterized by different helical senses and pitches. By Monte Carlo simulation, where we take into account bending and twist fluctuations explicitly, we study sequence dependence of B-Z transitions under torsional stress and tension focusing on the interaction with B-L transitions. We consider core sequences, (GC) n repeats or (TG) n repeats, which can interconvert between the right-handed B form and the left-handed Z form, imbedded in a random sequence, which can convert to left-handed L form with different (tension dependent) helical pitch. We show that Z-DNA formation from the (GC) n sequence is always supported by unwinding torsional stress but Z-DNA formation from the (TG) n sequence, which are more costly to convert but numerous, can be strongly influenced by the quenched disorder in the surrounding random sequence.

A numerical study on swimming micro-organisms inside a capillary tube

NASA Astrophysics Data System (ADS)

Zhu, Lailai; Lauga, Eric; Brandt, Luca

2011-11-01

The locomotivity of micro-organisms is highly dependent on the surrounding environments such as walls, free surface and neighbouring cells. In our current work, we perform simulations of swimming micro-organisms inside a capillary tube based on boundary element method. We focus on the swimming speed, power consumption and locomotive trajectory of swimming cells for different levels of confinement. For a cell propelling itself by tangential surface deformation, we show that it will swim along a helical trajectory with a specified swimming gait. Such a helical trajectory was observed before by experiments on swimming Paramecium inside a capillary tube. Funding by VR (the Swedish Research Council) and the National Science Foundation (grant CBET-0746285 to E.L.) is gratefully acknowledged. Computer time provided by SNIC (Swedish National Infrastructure for Computing) is also acknowledged.

High-resolution protein design with backbone freedom.

PubMed

Harbury, P B; Plecs, J J; Tidor, B; Alber, T; Kim, P S

1998-11-20

Recent advances in computational techniques have allowed the design of precise side-chain packing in proteins with predetermined, naturally occurring backbone structures. Because these methods do not model protein main-chain flexibility, they lack the breadth to explore novel backbone conformations. Here the de novo design of a family of alpha-helical bundle proteins with a right-handed superhelical twist is described. In the design, the overall protein fold was specified by hydrophobic-polar residue patterning, whereas the bundle oligomerization state, detailed main-chain conformation, and interior side-chain rotamers were engineered by computational enumerations of packing in alternate backbone structures. Main-chain flexibility was incorporated through an algebraic parameterization of the backbone. The designed peptides form alpha-helical dimers, trimers, and tetramers in accord with the design goals. The crystal structure of the tetramer matches the designed structure in atomic detail.

Cutoff size need not strongly influence molecular dynamics results for solvated polypeptides.

PubMed

Beck, David A C; Armen, Roger S; Daggett, Valerie

2005-01-18

The correct treatment of van der Waals and electrostatic nonbonded interactions in molecular force fields is essential for performing realistic molecular dynamics (MD) simulations of solvated polypeptides. The most computationally tractable treatment of nonbonded interactions in MD utilizes a spherical distance cutoff (typically, 8-12 A) to reduce the number of pairwise interactions. In this work, we assess three spherical atom-based cutoff approaches for use with all-atom explicit solvent MD: abrupt truncation, a CHARMM-style electrostatic shift truncation, and our own force-shifted truncation. The chosen system for this study is an end-capped 17-residue alanine-based alpha-helical peptide, selected because of its use in previous computational and experimental studies. We compare the time-averaged helical content calculated from these MD trajectories with experiment. We also examine the effect of varying the cutoff treatment and distance on energy conservation. We find that the abrupt truncation approach is pathological in its inability to conserve energy. The CHARMM-style shift truncation performs quite well but suffers from energetic instability. On the other hand, the force-shifted spherical cutoff method conserves energy, correctly predicts the experimental helical content, and shows convergence in simulation statistics as the cutoff is increased. This work demonstrates that by using proper and rigorous techniques, it is possible to correctly model polypeptide dynamics in solution with a spherical cutoff. The inherent computational advantage of spherical cutoffs over Ewald summation (and related) techniques is essential in accessing longer MD time scales.

Heat Transfer Enhancement in a Helically Coiled Tube with Al2O3/WATER Nanofluid Under Laminar Flow Condition

NASA Astrophysics Data System (ADS)

Kumar, P. C. Mukesh; Kumar, J.; Suresh, S.; Babu, K. Praveen

2012-10-01

In this experimental investigation, the heat transfer coefficients of a shell and helically coiled tube heat exchanger using Al2O3/water nanofluid under laminar flow condition were studied. The Al2O3 nanoparticles were characterized by X-Ray diffraction (XRD). The Al2O3/water nanofluid at 0.1%, 0.4% and 0.8% particle volume concentration were prepared by using two step method. The prepared nanofluid was characterized by scanning electron microscope (SEM). It is observed that the overall heat transfer coefficient, inner heat transfer coefficient and experimental inner Nusselt number increase while increasing particle volume concentration and increasing inner Dean number. The enhancement of overall heat transfer coefficient was found to be 7%, 16.9% and 24.2% at 0.1%, 0.4% and 0.8% Al2O3/water nanofluid respectively when compared with water. The enhancement of tube side experimental Nusselt number was found to be 17%, 22.9% and 28% at 0.1%, 0.4% and 0.8% particle volume concentration of Al2O3/water nanofluid respectively when compared with water at fixed Dean number. The tests were conducted in the range of 1600 < De < 2700, and 5200 < Re < 8600 under laminar flow condition and counter flow configuration. These enhancements are due to higher thermal conductivity of nanofluid while increasing particle volume concentration and Brownian motion of nanoparticles. It is studied that there is no negative impact on formation of secondary flow and mixing of fluid when nanofluid passes through the helically coiled tube.

Pseudoephedrine and guaifenesin urolithiasis: widening the differential diagnosis of radiolucent calculi on abdominal radiograph.

PubMed

Song, G Y; Lockhart, M E; Smith, J K; Burns, J R; Kenney, P J

2005-01-01

Unenhanced helical computed tomography has played an increasingly important role in the management of urinary tract stones, guiding diagnosis and control of calculus disease. We report computed tomographic and radiographic appearances of a renal calculus composed of pseudoephedrine and guaifenesin in a patient who abused over-the-counter allergy medication.

Helical prospective ECG-gating in cardiac computed tomography: radiation dose and image quality.

PubMed

DeFrance, Tony; Dubois, Eric; Gebow, Dan; Ramirez, Alex; Wolf, Florian; Feuchtner, Gudrun M

2010-01-01

Helical prospective ECG-gating (pECG) may reduce radiation dose while maintaining the advantages of helical image acquisition for coronary computed tomography angiography (CCTA). Aim of this study was to evaluate helical pECG-gating in CCTA in regards to radiation dose and image quality. 86 patients undergoing 64-multislice CCTA were enrolled. pECG-gating was performed in patients with regular heart rates (HR) < 65 bpm; with the gating window set at 70-85% of the cardiac cycle. All patients received oral and some received additional IV beta-blockers to achieve HR < 65 bpm. In patients with higher or irregular HR, or for functional evaluation, retrospective ECG-gating (rECG) was performed. The average X-ray dose was estimated from the dose length product. Each arterial segment (modified AHA/ACC 17-segment-model) was evaluated on a 4-point image quality scale (4 = excellent; 3 = good, mild artefact; 2 = acceptable, some artefact, 1 = uninterpretable). pECG-gating was applied in 57 patients, rECG-gating in 29 patients. There was no difference in age, gender, body mass index, scan length or tube output settings between both groups. HR in the pECG-group was 54.7 bpm (range, 43-64). The effective radiation dose was significantly lower for patients scanned with pECG-gating with mean 6.9 mSv +/- 1.9 (range, 2.9-10.7) compared to rECG with 16.9 mSv +/- 4.1 (P < 0.001), resulting in a mean dose reduction of 59.2%. For pECG-gating, out of 969 coronary segments, 99.3% were interpretable. Image quality was excellent in 90.2%, good in 7.8%, acceptable in 1.3% and non-interpretable in 0.7% (n = 7 segments). For patients with steady heart rates <65 bpm, helical prospective ECG-gating can significantly lower the radiation dose while maintaining high image quality.

Specific Amyloid Binding of Polybasic Peptides In Vivo Is Retained by β-Sheet Conformers but Lost in the Disrupted Coil and All D-Amino Acid Variants.

PubMed

Wall, Jonathan S; Williams, Angela; Richey, Tina; Stuckey, Alan; Wooliver, Craig; Christopher Scott, J; Donnell, Robert; Martin, Emily B; Kennel, Stephen J

2017-10-01

The heparin-reactive, helical peptide p5 is an effective amyloid imaging agent in mice with systemic amyloidosis. Analogs of p5 with modified secondary structure characteristics exhibited altered binding to heparin, synthetic amyloid fibrils, and amyloid extracts in vitro. Herein, we further study the effects of peptide helicity and chirality on specific amyloid binding using a mouse model of systemic inflammation-associated (AA) amyloidosis. Peptides with disrupted helical structure [p5 (coil) and p5 (Pro3) ], with an extended sheet conformation [p5 (sheet) ] or an all-D enantiomer [p5 (D) ], were chemically synthesized, radioiodinated, and their biodistribution studied in WT mice as well as transgenic animals with severe systemic AA amyloidosis. Peptide binding was assessed qualitatively by using small animal single-photon emission computed tomography/x-ray computed tomography imaging and microautoradiography and quantitatively using tissue counting. Peptides with reduced helical propensity, p5 (coil) and p5 (Pro3) , exhibited significantly reduced binding to AA amyloid-laden organs. In contrast, peptide p5 (D) was retained by non-amyloid-related ligands in the liver and kidneys of both WT and AA mice, but it also bound AA amyloid in the spleen. The p5 (sheet) peptide specifically bound AA amyloid in vivo and was not retained by healthy tissues in WT animals. Modification of amyloid-targeting peptides using D-amino acids should be performed cautiously due to the introduction of unexpected secondary pharmacologic effects. Peptides that adopt a helical structure, to align charged amino acid side chains along one face, exhibit specific reactivity with amyloid; however, polybasic peptides with a propensity for β-sheet conformation are also amyloid-reactive and may yield a novel class of amyloid-targeting agents for imaging and therapy.

Passive scalars: Mixing, diffusion, and intermittency in helical and nonhelical rotating turbulence

NASA Astrophysics Data System (ADS)

Imazio, P. Rodriguez; Mininni, P. D.

2017-03-01

We use direct numerical simulations to compute structure functions, scaling exponents, probability density functions, and effective transport coefficients of passive scalars in turbulent rotating helical and nonhelical flows. We show that helicity affects the inertial range scaling of the velocity and of the passive scalar when rotation is present, with a spectral law consistent with ˜k⊥-1.4 for the passive scalar variance spectrum. This scaling law is consistent with a phenomenological argument [P. Rodriguez Imazio and P. D. Mininni, Phys. Rev. E 83, 066309 (2011), 10.1103/PhysRevE.83.066309] for rotating nonhelical flows, which follows directly from Kolmogorov-Obukhov scaling and states that if energy follows a E (k ) ˜k-n law, then the passive scalar variance follows a law V (k ) ˜k-nθ with nθ=(5 -n ) /2 . With the second-order scaling exponent obtained from this law, and using the Kraichnan model, we obtain anomalous scaling exponents for the passive scalar that are in good agreement with the numerical results. Multifractal intermittency models are also considered. Intermittency of the passive scalar is stronger than in the nonhelical rotating case, a result that is also confirmed by stronger non-Gaussian tails in the probability density functions of field increments. Finally, Fick's law is used to compute the effective diffusion coefficients in the directions parallel and perpendicular to rotation. Calculations indicate that horizontal diffusion decreases in the presence of helicity in rotating flows, while vertical diffusion increases. A simple mean field argument explains this behavior in terms of the amplitude of velocity fluctuations.

Helical structure of the cardiac ventricular anatomy assessed by diffusion tensor magnetic resonance imaging with multiresolution tractography.

PubMed

Poveda, Ferran; Gil, Debora; Martí, Enric; Andaluz, Albert; Ballester, Manel; Carreras, Francesc

2013-10-01

Deeper understanding of the myocardial structure linking the morphology and function of the heart would unravel crucial knowledge for medical and surgical clinical procedures and studies. Several conceptual models of myocardial fiber organization have been proposed but the lack of an automatic and objective methodology prevented an agreement. We sought to deepen this knowledge through advanced computer graphical representations of the myocardial fiber architecture by diffusion tensor magnetic resonance imaging. We performed automatic tractography reconstruction of unsegmented diffusion tensor magnetic resonance imaging datasets of canine heart from the public database of the Johns Hopkins University. Full-scale tractographies have been built with 200 seeds and are composed by streamlines computed on the vector field of primary eigenvectors at the diffusion tensor volumes. We also introduced a novel multiscale visualization technique in order to obtain a simplified tractography. This methodology retains the main geometric features of the fiber tracts, making it easier to decipher the main properties of the architectural organization of the heart. Output analysis of our tractographic representations showed exact correlation with low-level details of myocardial architecture, but also with the more abstract conceptualization of a continuous helical ventricular myocardial fiber array. Objective analysis of myocardial architecture by an automated method, including the entire myocardium and using several 3-dimensional levels of complexity, reveals a continuous helical myocardial fiber arrangement of both right and left ventricles, supporting the anatomical model of the helical ventricular myocardial band described by F. Torrent-Guasp. Copyright © 2013 Sociedad Española de Cardiología. Published by Elsevier Espana. All rights reserved.

Random single amino acid deletion sampling unveils structural tolerance and the benefits of helical registry shift on GFP folding and structure.

PubMed

Arpino, James A J; Reddington, Samuel C; Halliwell, Lisa M; Rizkallah, Pierre J; Jones, D Dafydd

2014-06-10

Altering a protein's backbone through amino acid deletion is a common evolutionary mutational mechanism, but is generally ignored during protein engineering primarily because its effect on the folding-structure-function relationship is difficult to predict. Using directed evolution, enhanced green fluorescent protein (EGFP) was observed to tolerate residue deletion across the breadth of the protein, particularly within short and long loops, helical elements, and at the termini of strands. A variant with G4 removed from a helix (EGFP(G4Δ)) conferred significantly higher cellular fluorescence. Folding analysis revealed that EGFP(G4Δ) retained more structure upon unfolding and refolded with almost 100% efficiency but at the expense of thermodynamic stability. The EGFP(G4Δ) structure revealed that G4 deletion caused a beneficial helical registry shift resulting in a new polar interaction network, which potentially stabilizes a cis proline peptide bond and links secondary structure elements. Thus, deletion mutations and registry shifts can enhance proteins through structural rearrangements not possible by substitution mutations alone. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

UFO (UnFold Operator) computer program abstract

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kissel, L.; Biggs, F.

UFO (UnFold Operator) is an interactive user-oriented computer program designed to solve a wide range of problems commonly encountered in physical measurements. This document provides a summary of the capabilities of version 3A of UFO.

Extended MHD Modeling of Tearing-Driven Magnetic Relaxation

NASA Astrophysics Data System (ADS)

Sauppe, Joshua

2016-10-01

Driven plasma pinch configurations are characterized by the gradual accumulation and episodic release of free energy in discrete relaxation events. The hallmark of this relaxation in a reversed-field pinch (RFP) plasma is flattening of the parallel current density profile effected by a fluctuation-induced dynamo emf in Ohm's law. Nonlinear two-fluid modeling of macroscopic RFP dynamics has shown appreciable coupling of magnetic relaxation and the evolution of plasma flow. Accurate modeling of RFP dynamics requires the Hall effect in Ohm's law as well as first order ion finite Larmor radius (FLR) effects, represented by the Braginskii ion gyroviscous stress tensor. New results find that the Hall dynamo effect from < J × B > / ne can counter the MHD effect from - < V × B > in some of the relaxation events. The MHD effect dominates these events and relaxes the current profile toward the Taylor state, but the opposition of the two dynamos generates plasma flow in the direction of equilibrium current density, consistent with experimental measurements. Detailed experimental measurements of the MHD and Hall emf terms are compared to these extended MHD predictions. Tracking the evolution of magnetic energy, helicity, and hybrid helicity during relaxation identifies the most important contributions in single-fluid and two-fluid models. Magnetic helicity is well conserved relative to the magnetic energy during relaxation. The hybrid helicity is dominated by magnetic helicity in realistic low-beta pinch conditions and is also well conserved. Differences of less than 1 % between magnetic helicity and hybrid helicity are observed with two-fluid modeling and result from cross helicity evolution through ion FLR effects, which have not been included in contemporary relaxation theories. The kinetic energy driven by relaxation in the computations is dominated by velocity components perpendicular to the magnetic field, an effect that had not been predicted. Work performed at University of Wisconsin-Madison. LA-UR-16-24727.

Performance analyses of helical coil heat exchangers. The effect of external coil surface modification on heat exchanger effectiveness

NASA Astrophysics Data System (ADS)

Andrzejczyk, Rafał; Muszyński, Tomasz

2016-12-01

The shell and coil heat exchangers are commonly used in heating, ventilation, nuclear industry, process plant, heat recovery and air conditioning systems. This type of recuperators benefits from simple construction, the low value of pressure drops and high heat transfer. In helical coil, centrifugal force is acting on the moving fluid due to the curvature of the tube results in the development. It has been long recognized that the heat transfer in the helical tube is much better than in the straight ones because of the occurrence of secondary flow in planes normal to the main flow inside the helical structure. Helical tubes show good performance in heat transfer enhancement, while the uniform curvature of spiral structure is inconvenient in pipe installation in heat exchangers. Authors have presented their own construction of shell and tube heat exchanger with intensified heat transfer. The purpose of this article is to assess the influence of the surface modification over the performance coefficient and effectiveness. The experiments have been performed for the steady-state heat transfer. Experimental data points were gathered for both laminar and turbulent flow, both for co current- and countercurrent flow arrangement. To find optimal heat transfer intensification on the shell-side authors applied the number of transfer units analysis.

Solution conformation of a peptide fragment representing a proposed RNA-binding site of a viral coat protein studied by two-dimensional NMR

DOE Office of Scientific and Technical Information (OSTI.GOV)

van der Graaf, M.; van Mierlo, C.P.M.; Hemminga, M.A.

1991-06-11

The first 25 amino acids of the coat protein of cowpea chlorotic mottle virus are essential for binding the encapsidated RNA. Although an {alpha}-helical conformation has been predicted for this highly positively charged N-terminal region. No experimental evidence for this conformation has been presented so far. In this study, two-dimensional proton NMR experiments were performed on a chemically synthesized pentacosapeptide containing the first 25 amino acids of this coat protein. All resonances could be assigned by a combined use of two-dimensional correlated spectroscopy and nuclear Overhauser enhancement spectroscopy carried out at four different temperatures. Various NMR parameters indicate the presencemore » of a conformational ensemble consisting of helical structures rapidly converting into more extended states. Differences in chemical shifts and nuclear Overhauser effects indicate that lowering the temperature induces a shift of the dynamic equilibrium toward more helical structures. At 10{degrees}C, a perceptible fraction of the conformational ensemble consists of structures with an {alpha}-helical conformation between residues 9 and 17, likely starting with a turnlike structure around Thr9 and Arg10. Both the conformation and the position of this helical region agree well with the secondary structure predictions mentioned above.« less

Energetic-ion-driven global instabilities in stellarator/helical plasmas and comparison with tokamak plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toi, K.; Ogawa, K.; Isobe, M.

2011-01-01

Comprehensive understanding of energetic-ion-driven global instabilities such as Alfven eigenmodes (AEs) and their impact on energetic ions and bulk plasma is crucially important for tokamak and stellarator/helical plasmas and in the future for deuterium-tritium (DT) burning plasma experiments. Various types of global modes and their associated enhanced energetic ion transport are commonly observed in toroidal plasmas. Toroidicity-induced AEs and ellipticity-induced AEs, whose gaps are generated through poloidal mode coupling, are observed in both tokamak and stellarator/helical plasmas. Global AEs and reversed shear AEs, where toroidal couplings are not as dominant were also observed in those plasmas. Helicity induced AEs thatmore » exist only in 3D plasmas are observed in the large helical device (LHD) and Wendelstein 7 Advanced Stellarator plasmas. In addition, the geodesic acoustic mode that comes from plasma compressibility is destabilized by energetic ions in both tokamak and LHD plasmas. Nonlinear interaction of these modes and their influence on the confinement of the bulk plasma as well as energetic ions are observed in both plasmas. In this paper, the similarities and differences in these instabilities and their consequences for tokamak and stellarator/helical plasmas are summarized through comparison with the data sets obtained in LHD. In particular, this paper focuses on the differences caused by the rotational transform profile and the 2D or 3D geometrical structure of the plasma equilibrium. Important issues left for future study are listed.« less

Comparison of electron-beam and ungated helical CT in detecting coronary arterial calcification by using a working heart phantom and artificial coronary arteries.

PubMed

Hopper, Kenneth D; Strollo, Diane C; Mauger, David T

2002-02-01

To determine the sensitivity and specificity of cardiac gated electron-beam computed tomography (CT) and ungated helical CT in detecting and quantifying coronary arterial calcification (CAC) by using a working heart phantom and artificial coronary arteries. A working heart phantom simulating normal cardiac motion and providing attenuation equal to that of an adult thorax was used. Thirty tubes with a 3-mm inner diameter were internally coated with pulverized human cortical bone mixed with epoxy glue to simulate minimal (n = 10), mild (n = 10), or severe (n = 10) calcified plaques. Ten additional tubes were not coated and served as normal controls. The tubes were attached to the same location on the phantom heart and scanned with electron-beam CT and helical CT in horizontal and vertical planes. Actual plaque calcium content was subsequently quantified with atopic spectroscopy. Two blinded experienced radiologic imaging teams, one for each CT system, separately measured calcium content in the model vessels by using a Hounsfield unit threshold of 130 or greater. The sensitivity and specificity of electron-beam CT in detecting CAC were 66.1% and 80.0%, respectively. The sensitivity and specificity of helical CT were 96.4% and 95.0%, respectively. Electron-beam CT was less reliable when vessels were oriented vertically (sensitivity and specificity, 71.4% and 70%; 95% CI: 39.0%, 75.0%) versus horizontally (sensitivity and specificity, 60.7% and 90.0%; 95% CI: 48.0%, 82.0%). When a correction factor was applied, the volume of calcified plaque was statistically better quantified with helical CT than with electron-beam CT (P =.004). Ungated helical CT depicts coronary arterial calcium better than does gated electron-beam CT. When appropriate correction factors are applied, helical CT is superior to electron-beam CT in quantifying coronary arterial calcium. Although further work must be done to optimize helical CT grading systems and scanning protocols, the data of this study demonstrated helical CT's inherent advantage over currently commercially available electron-beam CT systems in CAC detection and quantification.

A factor involved in efficient breakdown of supersonic streamwise vortices

NASA Astrophysics Data System (ADS)

Hiejima, Toshihiko

2015-03-01

Spatially developing processes in supersonic streamwise vortices were numerically simulated at Mach number 5.0. The vortex evolution largely depended on the azimuthal vorticity thickness of the vortices, which governs the negative helicity profile. Large vorticity thickness greatly enhanced the centrifugal instability, with consequent development of perturbations with competing wavenumbers outside the vortex core. During the transition process, supersonic streamwise vortices could generate large-scale spiral structures and a number of hairpin like vortices. Remarkably, the transition caused a dramatic increase in the total fluctuation energy of hypersonic flows, because the negative helicity profile destabilizes the flows due to helicity instability. Unstable growth might also relate to the correlation length between the axial and azimuthal vorticities of the streamwise vortices. The knowledge gained in this study is important for realizing effective fuel-oxidizer mixing in supersonic combustion engines.

Fiber Reinforced Composite Cores and Panels

NASA Technical Reports Server (NTRS)

Day, Stephen W. (Inventor); Campbell, G. Scott (Inventor); Tilton, Danny E. (Inventor); Stoll, Frederick (Inventor); Sheppard, Michael (Inventor); Banerjee, Robin (Inventor)

2013-01-01

A fiber reinforced core panel is formed from strips of plastics foam helically wound with layers of rovings to form webs which may extend in a wave pattern or may intersect transverse webs. Hollow tubes may replace foam strips. Axial rovings cooperate with overlying helically wound rovings to form a beam or a column. Wound roving patterns may vary along strips for structural efficiency. Wound strips may alternate with spaced strips, and spacers between the strips enhance web buckling strength. Continuously wound rovings between spaced strips permit folding to form panels with reinforced edges. Continuously wound strips are helically wrapped to form annular structures, and composite panels may combine both thermoset and thermoplastic resins. Continuously wound strips or strip sections may be continuously fed either longitudinally or laterally into molding apparatus which may receive skin materials to form reinforced composite panels.

Chirality Transfer and Modulation in LB Films Derived From the Diacetylene/Melamine Hydrogen-Bonded Complex.

PubMed

Zhu, Yu; Xu, Yangyang; Zou, Gang; Zhang, Qijin

2015-08-01

Introduction of hydrogen-bonding interaction into π-conjugated systems is a promising strategy, since the highly selective and directional hydrogen-bonding can increase the binding strength, provide enhanced stability to the assemblies, and position the π-conjugated molecules in a desired arrangement. The helical packing of the rigid melamine cores seems to play a dominating role in the subsequent formation of the peripheral helical PDA backbone. The polymerized Langmuir-Blodgett (LB) films exhibited reversible colorimetric and chiroptical changes during repeated heating-cooling cycles, which should be ascribed to the strong hydrogen-bonding interaction between the carboxylic acid and the melamine core. Further, the closely helical packing of the melamine cores could be destroyed upon exposure to HCl or NH(3) gas, whereas the peripheral helical polyaniline and polydiacetylene (PDA) backbone exhibited excellent stability. Although similar absorption changes could be observed for the films upon exposure to HCl or NH(3) gas, their distinct circular dichroism (CD) responses enabled us to distinguish the above two stimuli. © 2015 Wiley Periodicals, Inc.

Helical screw expander evaluation project

NASA Technical Reports Server (NTRS)

Mckay, R.

1982-01-01

A one MW helical rotary screw expander power system for electric power generation from geothermal brine was evaluated. The technology explored in the testing is simple, potentially very efficient, and ideally suited to wellhead installations in moderate to high enthalpy, liquid dominated field. A functional one MW geothermal electric power plant that featured a helical screw expander was produced and then tested with a demonstrated average performance of approximately 45% machine efficiency over a wide range of test conditions in noncondensing, operation on two-phase geothermal fluids. The Project also produced a computer equipped data system, an instrumentation and control van, and a 1000 kW variable load bank, all integrated into a test array designed for operation at a variety of remote test sites. Data are presented for the Utah testing and for the noncondensing phases of the testing in Mexico. Test time logged was 437 hours during the Utah tests and 1101 hours during the Mexico tests.

Fast H-DROP: A thirty times accelerated version of H-DROP for interactive SVM-based prediction of helical domain linkers

NASA Astrophysics Data System (ADS)

Richa, Tambi; Ide, Soichiro; Suzuki, Ryosuke; Ebina, Teppei; Kuroda, Yutaka

2017-02-01

Efficient and rapid prediction of domain regions from amino acid sequence information alone is often required for swift structural and functional characterization of large multi-domain proteins. Here we introduce Fast H-DROP, a thirty times accelerated version of our previously reported H-DROP (Helical Domain linker pRediction using OPtimal features), which is unique in specifically predicting helical domain linkers (boundaries). Fast H-DROP, analogously to H-DROP, uses optimum features selected from a set of 3000 ones by combining a random forest and a stepwise feature selection protocol. We reduced the computational time from 8.5 min per sequence in H-DROP to 14 s per sequence in Fast H-DROP on an 8 Xeon processor Linux server by using SWISS-PROT instead of Genbank non-redundant (nr) database for generating the PSSMs. The sensitivity and precision of Fast H-DROP assessed by cross-validation were 33.7 and 36.2%, which were merely 2% lower than that of H-DROP. The reduced computational time of Fast H-DROP, without affecting prediction performances, makes it more interactive and user-friendly. Fast H-DROP and H-DROP are freely available from http://domserv.lab.tuat.ac.jp/.

Feasibility of Whole-Body Functional Mouse Imaging Using Helical Pinhole SPECT

PubMed Central

Metzler, Scott D.; Vemulapalli, Sreekanth; Jaszczak, Ronald J.; Akabani, Gamal; Chin, Bennett B.

2010-01-01

Purpose Detailed in vivo whole-body biodistributions of radiolabeled tracers may characterize the longitudinal progression of disease, and changes with therapeutic interventions. Small-animal imaging in mice is particularly attractive due to the wide array of well characterized genetically and surgically created models of disease. Single Photon Emission Computed Tomography (SPECT) imaging using pinhole collimation provides high resolution and sensitivity, but conventional methods using circular acquisitions result in severe image truncation and incomplete sampling of data which prevent the accurate determination of whole-body radiotracer biodistributions. This study describes the feasibility of helical acquisition paths to mitigate these effects. Procedures Helical paths of pinhole apertures were implemented using an external robotic stage aligned with the axis of rotation (AOR) of the scanner. Phantom and mouse scans were performed using helical paths and either circular or bi-circular orbits at the same radius of rotation (ROR). The bi-circular orbits consisted of two 360-degree scans separated by an axial shift to increase the axial field of view (FOV) and to improve the complete-sampling properties. Results Reconstructions of phantoms and mice acquired with helical paths show good image quality and are visually free of both truncation and axial-blurring artifacts. Circular orbits yielded reconstructions with both artifacts and a limited effective FOV. The bi-circular scans enlarged the axial FOV, but still suffered from truncation and sampling artifacts. Conclusions Helical paths can provide complete sampling data and large effective FOV, yielding 3D full-body in vivo biodistributions while still maintaining a small distance from the aperture to the object for good sensitivity and resolution. PMID:19521736

Quantum correlations of helicity entangled states in non-inertial frames beyond single mode approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harsij, Zeynab, E-mail: z.harsij@ph.iut.ac.ir; Mirza, Behrouz, E-mail: b.mirza@cc.iut.ac.ir

A helicity entangled tripartite state is considered in which the degree of entanglement is preserved in non-inertial frames. It is shown that Quantum Entanglement remains observer independent. As another measure of quantum correlation, Quantum Discord has been investigated. It is explicitly shown that acceleration has no effect on the degree of quantum correlation for the bipartite and tripartite helicity entangled states. Geometric Quantum Discord as a Hilbert–Schmidt distance is computed for helicity entangled states. It is shown that living in non-inertial frames does not make any influence on this distance, either. In addition, the analysis has been extended beyond singlemore » mode approximation to show that acceleration does not have any impact on the quantum features in the limit beyond the single mode. As an interesting result, while the density matrix depends on the right and left Unruh modes, the Negativity as a measure of Quantum Entanglement remains constant. Also, Quantum Discord does not change beyond single mode approximation. - Highlights: • The helicity entangled states here are observer independent in non-inertial frames. • It is explicitly shown that Quantum Discord for these states is observer independent. • Geometric Quantum Discord is also not affected by acceleration increase. • Extending to beyond single mode does not change the degree of entanglement. • Beyond single mode approximation the degree of Quantum Discord is also preserved.« less

Standard and Nonstandard Craniospinal Radiotherapy Using Helical TomoTherapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, William, E-mail: william@medphys.mcgill.c; Brodeur, Marylene; Roberge, David

2010-07-01

Purpose: To show the advantages of planning and delivering craniospinal radiotherapy with helical TomoTherapy (TomoTherapy Inc., Madison, WI) by presenting 4 cases treated at our institution. Methods and Materials: We first present a standard case of craniospinal irradiation in a patient with recurrent myxopapillary ependymoma (MPE) and follow this with 2 cases requiring differential dosing to multiple target volumes. One of these, a patient with recurrent medulloblastoma, required a lower dose to be delivered to the posterior fossa because the patient had been previously irradiated to the full dose, and the other required concurrent boosts to leptomeningeal metastases as partmore » of his treatment for newly diagnosed MPE. The final case presented is a patient with pronounced scoliosis who required spinal irradiation for recurrent MPE. Results: The four cases presented were planned and treated successfully with Helical Tomotherapy. Conclusions: Helical TomoTherapy delivers continuous arc-based intensity-modulated radiotherapy that gives high conformality and excellent dose homogeneity for the target volumes. Increased healthy tissue sparing is achieved at higher doses albeit at the expense of larger volumes of tissue receiving lower doses. Helical TomoTherapy allows for differential dosing of multiple targets, resulting in very elegant dose distributions. Daily megavoltage computed tomography imaging allows for precision of patient positioning, permitting a reduction in planning margins and increased healthy tissue sparing in comparison with standard techniques.« less

Negative radiation forces and the asymmetry of scattered radiation: spheres in Bessel beams

NASA Astrophysics Data System (ADS)

Marston, Philip L.; Zhang, Likun

2011-11-01

The discovery that acoustical and optical, radiation forces computed on spheres placed on the axis of acoustical and optical Bessel beams may be opposite the direction of beam propagation makes it appropriate to reexamine the relationship between radiation forces and the asymmetry of the scattered radiation. For all of the previously identified acoustical cases in which the force was negative and the scattering pattern was also computed, it was found that the backscattering was suppressed and the forward scattering relatively enhanced (see e.g.). In the present research the acoustic radiation force on an arbitrary isotropic sphere is related to the asymmetry in the scattering and the extinction introduced by the sphere for the case of a helical Bessel beam of arbitrary order. The analysis confirms that conditions are more favorable for generating negative forces when the asymmetry is such that the backscattering is suppressed relative to the forward scattering. It is also found, however, that absorption of power by the sphere gives rise to a positive force contribution, a term which has been neglected in the corresponding optical analysis.

Optimized enhancement in helical CT: experiences with a real-time bolus tracking system in 628 patients.

PubMed

Kirchner, J; Kickuth, R; Laufer, U; Noack, M; Liermann, D

2000-05-01

Ultrafast detector technology enables bolus-triggered application of contrast media. In a prospective study we investigated the benefit of this new method with the intention of optimizing enhancement during examination of the chest and abdomen. In total, we examined 548 patients under standardized conditions. All examinations were performed on a Somatom Plus 4 Power CT system (Siemens Corp., Forchheim, Germany) using the CARE-Bolus software. This produces repetitive low-dose test images (e.g. for the lung: 140 kV, 43 mA, TI 0.5 s) and measures the Hounsfield attenuation in a pre-selected region of interest. After exceeding a defined threshold, a diagnostic spiral CT examination was begun automatically. The data obtained from 321 abdominal CT and 179 lung CT examinations were correlated with different parameters such as age, weight and height of the patients and parameters of vascular access. In a group of 80 patients, the injection of contrast medium was stopped after reaching a pre-defined threshold of an increase of 100 HU over the baseline. Then, we assessed the maximal enhancement of liver, pulmonal artery trunk and aortic arch. There was no correlation between bolus geometry and age, body surface or weight. In helical CT of the abdomen the threshold was reached after a mean trigger time of 27 s (range 13-67 s) and only 65 ml (range 41-105 ml) of contrast medium were administered. In helical CT of the lung the threshold was reached after 21 s (range 12-48 s) and the mean amount of administered contrast medium was 48 ml (range 38-71 ml). Bolus triggering allows optimized enhancement of the organs and reduces the dose of contrast material required compared with standard administration. Copyright 2000 The Royal College of Radiologists.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lello, Louis; Boyanovsky, Daniel; Pisarski, Robert D.

Here, in the standard model extended with a seesaw mass matrix, we study the production of sterile neutrinos from the decay of vector bosons at temperatures near the masses of the electroweak bosons. We derive a general quantum kinetic equation for the production of sterile neutrinos and their effective mixing angles, which is applicable over a wide range of temperature, to all orders in interactions of the standard model and to leading order in a small mixing angle for the neutrinos. We emphasize the relation between the production rate and Landau damping at one-loop order and show that production rates and effective mixing angles depend sensitively upon the neutrino’s helicity. Sterile neutrinos with positive helicity interact more weakly with the medium than those with negative helicity, and their effective mixing angle is not modified significantly. Negative helicity states couple more strongly to the vector bosons, but their mixing angle is strongly suppressed by the medium. Consequently, if the mass of the sterile neutrino is ≲ 8.35 MeV , there are fewer states with negative helicity produced than those with positive helicity. There is an Mikheyev-Smirnov-Wolfenstein-type resonance in the absence of lepton asymmetry, but due to screening by the damping rate, the production rate is not enhanced. Sterile neutrinos with negative helicity freeze out at Tmore » $$-\\atop{f}$$ ≃ 5 GeV , whereas positive helicity neutrinos freeze out at T$$+\\atop{f}$$≃ 8 GeV , with both distributions far from thermal. As the temperature decreases, due to competition between a decreasing production rate and an increasing mixing angle, the distribution function for states with negative helicity is broader in momentum and hotter than that for those with positive helicity. Sterile neutrinos produced via vector boson decay do not satisfy the abundance, lifetime, and cosmological constraints to be the sole dark matter component in the Universe. Massive sterile neutrinos produced via vector boson decay might solve the 7Li problem, albeit at the very edge of the possible parameter space. A heavy sterile neutrino with a mass of a few MeV could decay into light sterile neutrinos, of a few keV in mass, that contribute to warm dark matter. In conclusion, we argue that heavy sterile neutrinos with lifetime ≤1/H 0 reach local thermodynamic equilibrium.« less

Production of heavy sterile neutrinos from vector boson decay at electroweak temperatures

NASA Astrophysics Data System (ADS)

Lello, Louis; Boyanovsky, Daniel; Pisarski, Robert D.

2017-02-01

In the standard model extended with a seesaw mass matrix, we study the production of sterile neutrinos from the decay of vector bosons at temperatures near the masses of the electroweak bosons. We derive a general quantum kinetic equation for the production of sterile neutrinos and their effective mixing angles, which is applicable over a wide range of temperature, to all orders in interactions of the standard model and to leading order in a small mixing angle for the neutrinos. We emphasize the relation between the production rate and Landau damping at one-loop order and show that production rates and effective mixing angles depend sensitively upon the neutrino's helicity. Sterile neutrinos with positive helicity interact more weakly with the medium than those with negative helicity, and their effective mixing angle is not modified significantly. Negative helicity states couple more strongly to the vector bosons, but their mixing angle is strongly suppressed by the medium. Consequently, if the mass of the sterile neutrino is ≲8.35 MeV , there are fewer states with negative helicity produced than those with positive helicity. There is an Mikheyev-Smirnov-Wolfenstein-type resonance in the absence of lepton asymmetry, but due to screening by the damping rate, the production rate is not enhanced. Sterile neutrinos with negative helicity freeze out at Tf-≃5 GeV , whereas positive helicity neutrinos freeze out at Tf+≃8 GeV , with both distributions far from thermal. As the temperature decreases, due to competition between a decreasing production rate and an increasing mixing angle, the distribution function for states with negative helicity is broader in momentum and hotter than that for those with positive helicity. Sterile neutrinos produced via vector boson decay do not satisfy the abundance, lifetime, and cosmological constraints to be the sole dark matter component in the Universe. Massive sterile neutrinos produced via vector boson decay might solve the 7Li problem, albeit at the very edge of the possible parameter space. A heavy sterile neutrino with a mass of a few MeV could decay into light sterile neutrinos, of a few keV in mass, that contribute to warm dark matter. We argue that heavy sterile neutrinos with lifetime ≤1 /H0 reach local thermodynamic equilibrium.

Production of heavy sterile neutrinos from vector boson decay at electroweak temperatures

DOE PAGES

Lello, Louis; Boyanovsky, Daniel; Pisarski, Robert D.

2017-02-22

Here, in the standard model extended with a seesaw mass matrix, we study the production of sterile neutrinos from the decay of vector bosons at temperatures near the masses of the electroweak bosons. We derive a general quantum kinetic equation for the production of sterile neutrinos and their effective mixing angles, which is applicable over a wide range of temperature, to all orders in interactions of the standard model and to leading order in a small mixing angle for the neutrinos. We emphasize the relation between the production rate and Landau damping at one-loop order and show that production rates and effective mixing angles depend sensitively upon the neutrino’s helicity. Sterile neutrinos with positive helicity interact more weakly with the medium than those with negative helicity, and their effective mixing angle is not modified significantly. Negative helicity states couple more strongly to the vector bosons, but their mixing angle is strongly suppressed by the medium. Consequently, if the mass of the sterile neutrino is ≲ 8.35 MeV , there are fewer states with negative helicity produced than those with positive helicity. There is an Mikheyev-Smirnov-Wolfenstein-type resonance in the absence of lepton asymmetry, but due to screening by the damping rate, the production rate is not enhanced. Sterile neutrinos with negative helicity freeze out at Tmore » $$-\\atop{f}$$ ≃ 5 GeV , whereas positive helicity neutrinos freeze out at T$$+\\atop{f}$$≃ 8 GeV , with both distributions far from thermal. As the temperature decreases, due to competition between a decreasing production rate and an increasing mixing angle, the distribution function for states with negative helicity is broader in momentum and hotter than that for those with positive helicity. Sterile neutrinos produced via vector boson decay do not satisfy the abundance, lifetime, and cosmological constraints to be the sole dark matter component in the Universe. Massive sterile neutrinos produced via vector boson decay might solve the 7Li problem, albeit at the very edge of the possible parameter space. A heavy sterile neutrino with a mass of a few MeV could decay into light sterile neutrinos, of a few keV in mass, that contribute to warm dark matter. In conclusion, we argue that heavy sterile neutrinos with lifetime ≤1/H 0 reach local thermodynamic equilibrium.« less

[Comparison of radiation dose reduction of prospective ECG-gated one beat scan using 320 area detector CT coronary angiography and prospective ECG-gated helical scan with high helical pitch (FlashScan) using 64 multidetector-row CT coronary angiography].

PubMed

Matsutani, Hideyuki; Sano, Tomonari; Kondo, Takeshi; Fujimoto, Shinichiro; Sekine, Takako; Arai, Takehiro; Morita, Hitomi; Takase, Shinichi

2010-12-20

A high radiation dose associated with 64 multidetector-row computed tomography (64-MDCT) is a major concern for physicians and patients alike. A new 320 row area detector computed tomography (ADCT) can obtain a view of the entire heart with one rotation (0.35 s) without requiring the helical method. As such, ADCT is expected to reduce the radiation dose. We studied image quality and radiation dose of ADCT compared to that of 64-MDCT in patients with a low heart rate (HR≤60). Three hundred eighty-five consecutive patients underwent 64-MDCT and 379 patients, ADCT. Patients with an arrhythmia were excluded. Prospective ECG-gated helical scan with high HP (FlashScan) in 64 was used for MDCT and prospective ECG-gated conventional one beat scan, for 320-ADCT. Image quality was visually evaluated by an image quality score. Radiation dose was estimated by DLP (mGy･cm) for 64-MDCT and DLP.e (mGy･cm) for 320-ADCT. Radiation dose of 320-ADCT (208±48 mGy･cm) was significantly (P<0.0001) lower than that of 64-MDCT (484±112 mGy･cm), and image quality score of 320-ADCT (3.0±0.2) was significantly (P=0.0011) higher than that of 64-MDCT (2.9±0.4). Scan time of 320-ADCT (1.4±0.1 s) was also significantly (P<0.0001) shorter than that of 64-MDCT (6.8±0.6 s). 320-ADCT can achieve not only a reduction in radiation dose but also a superior image quality and shortening of scan time compared to 64-MDCT.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miloshevich, George; Lingam, Manasvi; Morrison, Philip J.

Recent progress regarding the noncanonical Hamiltonian formulation of extended magnetohydrodynamics (XMHD), a model with Hall drift and electron inertia, is summarized. The advantages of the Hamiltonian approach are invoked to study some general properties of XMHD turbulence, and to compare them against their ideal MHD counterparts. For instance, the helicity flux transfer rates for XMHD are computed, and Liouville's theorem for this model is also verified. The latter is used, in conjunction with the absolute equilibrium states, to arrive at the spectra for the invariants, and to determine the direction of the cascades, e.g., generalizations of the well-known ideal MHDmore » inverse cascade of magnetic helicity. After a similar analysis is conducted for XMHD by inspecting second order structure functions and absolute equilibrium states, a couple of interesting results emerge. When cross helicity is taken to be ignorable, the inverse cascade of injected magnetic helicity also occurs in the Hall MHD range-this is shown to be consistent with previous results in the literature. In contrast, in the inertial MHD range, viz at scales smaller than the electron skin depth, all spectral quantities are expected to undergo direct cascading. Finally, the consequences and relevance of our results in space and astrophysical plasmas are also briefly discussed.« less

The vorticity of Solar photospheric flows on the scale of granulation

NASA Astrophysics Data System (ADS)

Pevtsov, A. A.

2016-12-01

We employ time sequences of images observed with a G-band filter (λ4305Å) by the Solar Optical Telescope (SOT) on board of Hinode spacecraft at different latitude along solar central meridian to study vorticity of granular flows in quiet Sun areas during deep minimum of solar activity. Using a feature correlation tracking (FCT) technique, we calculate the vorticity of granular-scale flows. Assuming the known pattern of vertical flows (upward in granules and downward in intergranular lanes), we infer the sign of kinetic helicity of these flows. We show that the kinetic helicity of granular flows and intergranular vortices exhibits a weak hemispheric preference, which is in agreement with the action of the Coriolis force. This slight hemispheric sign asymmetry, however, is not statistically significant given large scatter in the average vorticity. The sign of the current helicity density of network magnetic fields computed using full disk vector magnetograms from the Synoptic Optical Long-term Investigations of the Sun (SOLIS) does not show any hemispheric preference. The combination of these two findings suggests that the photospheric dynamo operating on the scale of granular flows is non-helical in nature.

Stabilized helical peptides: overview of the technologies and its impact on drug discovery.

PubMed

Klein, Mark

2017-11-01

Protein-protein interactions are predominant in the workings of all cells. Until now, there have been a few successes in targeting protein-protein interactions with small molecules. Peptides may overcome some of the challenges of small molecules in disrupting protein-protein interactions. However, peptides present a new set of challenges in drug discovery. Thus, the study of the stabilization of helical peptides has been extensive. Areas covered: Several technological approaches to helical peptide stabilization have been studied. In this review, stapled peptides, foldamers, and hydrogen bond surrogates are discussed. Issues regarding design principles are also discussed. Furthermore, this review introduces select computational techniques used to aid peptide design and discusses clinical trials of peptides in a more advanced stage of development. Expert opinion: Stabilized helical peptides hold great promise in a wide array of diseases. However, the field is still relatively new and new design principles are emerging. The possibilities of peptide modification are quite extensive and expanding, so the design of stabilized peptides requires great attention to detail in order to avoid a large number of failed lead peptides. The start of clinical trials with stapled peptides is a promising sign for the future.

Helical cone beam CT with an asymmetrical detector.

PubMed

Zamyatin, Alexander A; Taguchi, Katsuyuki; Silver, Michael D

2005-10-01

If a multislice or other area detector is shifted to one side to cover a larger field of view, then the data are truncated on one side. We propose a method to restore the missing data in helical cone-beam acquisitions that uses measured data on the longer side of the asymmetric detector array. The method is based on the idea of complementary rays, which is well known in fan beam geometry; in this paper we extend this concept to the cone-beam case. Different cases of complementary data coverage and dependence on the helical pitch are considered. The proposed method is used in our prototype 16-row CT scanner with an asymmetric detector and a 700 mm field of view. For evaluation we used scanned body phantom data and computer-simulated data. To simulate asymmetric truncation, the full, symmetric datasets were truncated by dropping either 22.5% or 45% from one side of the detector. Reconstructed images from the prototype scanner with the asymmetrical detector show excellent image quality in the extended field of view. The proposed method allows flexible helical pitch selection and can be used with overscan, short-scan, and super-short-scan reconstructions.

Cooperative alpha-helix formation of beta-lactoglobulin induced by sodium n-alkyl sulfates.

PubMed

Chamani, J; Moosavi-Movahedi, A A; Rajabi, O; Gharanfoli, M; Momen-Heravi, M; Hakimelahi, G H; Neamati-Baghsiah, A; Varasteh, A R

2006-01-01

It is generally assumed that folding intermediates contain partially formed native-like secondary structures. However, if we consider the fact that the conformational stability of the intermediate state is simpler than that of the native state, it would be expected that the secondary structures in a folding intermediate would not necessarily be similar to those of the native state. beta-Lactoglobulin is a predominantly beta-sheet protein, although it has a markedly high intrinsic preference for alpha-helical structure. The formation of non-native alpha-helical intermediate of beta-lactoglobulin was induced by n-alkyl sulfates including sodium octyl sulfate, SOS; sodium decyl sulfate, SDeS; sodium dodecyl sulfate, SDS; and sodium tetradecyl sulfate, STS at special condition. The effect of n-alkyl sulfates on the structure of native beta-lactoglobulin at pH 2 was utilized to investigate the contribution of hydrophobic interactions to the stability of non-native alpha-helical intermediate. The addition of various concentrations of n-alkyl sulfates to the native state of beta-lactoglobulin (pH 2) appears to support the stabilized form of non-native alpha-helical intermediate at pH 2. The m values of the intermediate state of beta-lactoglobulin by SOS, SDeS, SDS and STS showed substantial variation. The enhancement of m values as the stability criterion of non-native alpha-helical intermediate state corresponded with increasing chain length of the cited n-alkyl sulfates. The present results suggest that the folding reaction of beta-lactoglobulin follows a non-hierarchical mechanism and hydrophobic interactions play important roles in stabilizing the non-native alpha-helical intermediate state.

Helical structures in a Rosette elephant trunk

NASA Astrophysics Data System (ADS)

Carlqvist, Per; Kristen, Helmuth; Gahm, Gosta F.

1998-04-01

We discuss small-scale, helical, interstellar filaments on the basis of optical observations of an elephant trunk in the Rosette nebula. The trunk studied is composed of a number of sinusoidal or serpentine-like dark filaments, preferentially in the outer part of the trunk, where their wavelength is 7-9 times the trunk radius. The diameters are down to the limit of resolution of 1.0 arcsec, corresponding to 1600 au, and ranging up to about 6400 au. At some positions filament crossings give rise to enhanced extinction. We suggest that the sinusoidal filaments are helices lined up by magnetic fields. We derive average extinctions of 0.5-1.0 mag in the filaments, implying molecular densities of n_H2 ~ 10(4) cm(-3) . From existing data on the Rosette HiI region, we conclude that the surrounding kinetic and dynamic pressure and the background radiation field suffice to balance even the denser filaments and to exert drag forces on the trunk as a whole, consistent with evidence of stretching of the trunk. The helical magnetic structures imply the presence of electric currents along the trunk axis. These currents should form a nearly force-free geometry and are consistent with a model consisting of 4-7 helical cables on the surface of a cylinder and which produce the observed wavelength of the helices. We suggest that the Rosette elephant trunks form an interconnected system of rope-like structures which are relics from filamentary skeletons of magnetic fields in the primordial cloud. Based on observations collected at the Nordic Optical Telescope, La Palma, Spain

Enhanced valley splitting in monolayer WSe2 due to magnetic exchange field.

PubMed

Zhao, Chuan; Norden, Tenzin; Zhang, Peiyao; Zhao, Puqin; Cheng, Yingchun; Sun, Fan; Parry, James P; Taheri, Payam; Wang, Jieqiong; Yang, Yihang; Scrace, Thomas; Kang, Kaifei; Yang, Sen; Miao, Guo-Xing; Sabirianov, Renat; Kioseoglou, George; Huang, Wei; Petrou, Athos; Zeng, Hao

2017-08-01

Exploiting the valley degree of freedom to store and manipulate information provides a novel paradigm for future electronics. A monolayer transition-metal dichalcogenide (TMDC) with a broken inversion symmetry possesses two degenerate yet inequivalent valleys, which offers unique opportunities for valley control through the helicity of light. Lifting the valley degeneracy by Zeeman splitting has been demonstrated recently, which may enable valley control by a magnetic field. However, the realized valley splitting is modest (∼0.2 meV T -1 ). Here we show greatly enhanced valley spitting in monolayer WSe 2 , utilizing the interfacial magnetic exchange field (MEF) from a ferromagnetic EuS substrate. A valley splitting of 2.5 meV is demonstrated at 1 T by magnetoreflectance measurements and corresponds to an effective exchange field of ∼12 T. Moreover, the splitting follows the magnetization of EuS, a hallmark of the MEF. Utilizing the MEF of a magnetic insulator can induce magnetic order and valley and spin polarization in TMDCs, which may enable valleytronic and quantum-computing applications.

Metadynamics Enhanced Markov Modeling of Protein Dynamics.

PubMed

Biswas, Mithun; Lickert, Benjamin; Stock, Gerhard

2018-05-31

Enhanced sampling techniques represent a versatile approach to account for rare conformational transitions in biomolecules. A particularly promising strategy is to combine massive parallel computing of short molecular dynamics (MD) trajectories (to sample the free energy landscape of the system) with Markov state modeling (to rebuild the kinetics from the sampled data). To obtain well-distributed initial structures for the short trajectories, it is proposed to employ metadynamics MD, which quickly sweeps through the entire free energy landscape of interest. Being only used to generate initial conformations, the implementation of metadynamics can be simple and fast. The conformational dynamics of helical peptide Aib 9 is adopted to discuss various technical issues of the approach, including metadynamics settings, minimal number and length of short MD trajectories, and the validation of the resulting Markov models. Using metadynamics to launch some thousands of nanosecond trajectories, several Markov state models are constructed that reveal that previous unbiased MD simulations of in total 16 μs length cannot provide correct equilibrium populations or qualitative features of the pathway distribution of the short peptide.

Helical Root Buckling: A Transient Mechanism for Stiff Interface Penetration

NASA Astrophysics Data System (ADS)

Silverberg, Jesse; Noar, Roslyn; Packer, Michael; Harrison, Maria; Cohen, Itai; Henley, Chris; Gerbode, Sharon

2011-03-01

Tilling in agriculture is commonly used to loosen the topmost layer of soil and promote healthy plant growth. As roots navigate this mechanically heterogeneous environment, they encounter interfaces between the compliant soil and the underlying compacted soil. Inspired by this problem, we used 3D time-lapse imaging of Medicago Truncatula plants to study root growth in two-layered transparent hydrogels. The layers are mechanically distinct; the top layer is more compliant than the bottom. We observe that the roots form a transient helical structure as they attempt to penetrate the bi-layer interface. Interpreting this phenotype as a form of buckling due to root elongation, we measured the helix size as a function of the surrounding gel modulus. Our measurements show that by twisting the root tip during growth, the helical structure recruits the surrounding medium for an enhanced penetration force allowing the plants access to the lower layer of gel.

Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.

PubMed

Assem, Naila; Ferreira, David J; Wolan, Dennis W; Dawson, Philip E

2015-07-20

Macrocyclization is a broadly applied approach for overcoming the intrinsically disordered nature of linear peptides. Herein, it is shown that dichloroacetone (DCA) enhances helical secondary structures when introduced between peptide nucleophiles, such as thiols, to yield an acetone-linked bridge (ACE). Aside from stabilizing helical structures, the ketone moiety embedded in the linker can be modified with diverse molecular tags by oxime ligation. Insights into the structure of the tether were obtained through co-crystallization of a constrained S-peptide in complex with RNAse S. The scope of the acetone-linked peptides was further explored through the generation of N-terminus to side chain macrocycles and a new approach for generating fused macrocycles (bicycles). Together, these studies suggest that acetone linking is generally applicable to peptide macrocycles with a specific utility in the synthesis of stabilized helices that incorporate functional tags. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure elucidation of dimeric transmembrane domains of bitopic proteins.

PubMed

Bocharov, Eduard V; Volynsky, Pavel E; Pavlov, Konstantin V; Efremov, Roman G; Arseniev, Alexander S

2010-01-01

The interaction between transmembrane helices is of great interest because it directly determines biological activity of a membrane protein. Either destroying or enhancing such interactions can result in many diseases related to dysfunction of different tissues in human body. One much studied form of membrane proteins known as bitopic protein is a dimer containing two membrane-spanning helices associating laterally. Establishing structure-function relationship as well as rational design of new types of drugs targeting membrane proteins requires precise structural information about this class of objects. At present time, to investigate spatial structure and internal dynamics of such transmembrane helical dimers, several strategies were developed based mainly on a combination of NMR spectroscopy, optical spectroscopy, protein engineering and molecular modeling. These approaches were successfully applied to homo- and heterodimeric transmembrane fragments of several bitopic proteins, which play important roles in normal and in pathological conditions of human organism.

Objects of Maximum Electromagnetic Chirality

NASA Astrophysics Data System (ADS)

Fernandez-Corbaton, Ivan; Fruhnert, Martin; Rockstuhl, Carsten

2016-07-01

We introduce a definition of the electromagnetic chirality of an object and show that it has an upper bound. Reciprocal objects attain the upper bound if and only if they are transparent for all the fields of one polarization handedness (helicity). Additionally, electromagnetic duality symmetry, i.e., helicity preservation upon interaction, turns out to be a necessary condition for reciprocal objects to attain the upper bound. We use these results to provide requirements for the design of such extremal objects. The requirements can be formulated as constraints on the polarizability tensors for dipolar objects or on the material constitutive relations for continuous media. We also outline two applications for objects of maximum electromagnetic chirality: a twofold resonantly enhanced and background-free circular dichroism measurement setup, and angle-independent helicity filtering glasses. Finally, we use the theoretically obtained requirements to guide the design of a specific structure, which we then analyze numerically and discuss its performance with respect to maximal electromagnetic chirality.

Development of 1-year-old computational phantom and calculation of organ doses during CT scans using Monte Carlo simulation.

PubMed

Pan, Yuxi; Qiu, Rui; Gao, Linfeng; Ge, Chaoyong; Zheng, Junzheng; Xie, Wenzhang; Li, Junli

2014-09-21

With the rapidly growing number of CT examinations, the consequential radiation risk has aroused more and more attention. The average dose in each organ during CT scans can only be obtained by using Monte Carlo simulation with computational phantoms. Since children tend to have higher radiation sensitivity than adults, the radiation dose of pediatric CT examinations requires special attention and needs to be assessed accurately. So far, studies on organ doses from CT exposures for pediatric patients are still limited. In this work, a 1-year-old computational phantom was constructed. The body contour was obtained from the CT images of a 1-year-old physical phantom and the internal organs were deformed from an existing Chinese reference adult phantom. To ensure the organ locations in the 1-year-old computational phantom were consistent with those of the physical phantom, the organ locations in 1-year-old computational phantom were manually adjusted one by one, and the organ masses were adjusted to the corresponding Chinese reference values. Moreover, a CT scanner model was developed using the Monte Carlo technique and the 1-year-old computational phantom was applied to estimate organ doses derived from simulated CT exposures. As a result, a database including doses to 36 organs and tissues from 47 single axial scans was built. It has been verified by calculation that doses of axial scans are close to those of helical scans; therefore, this database could be applied to helical scans as well. Organ doses were calculated using the database and compared with those obtained from the measurements made in the physical phantom for helical scans. The differences between simulation and measurement were less than 25% for all organs. The result shows that the 1-year-old phantom developed in this work can be used to calculate organ doses in CT exposures, and the dose database provides a method for the estimation of 1-year-old patient doses in a variety of CT examinations.

Development of 1-year-old computational phantom and calculation of organ doses during CT scans using Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Pan, Yuxi; Qiu, Rui; Gao, Linfeng; Ge, Chaoyong; Zheng, Junzheng; Xie, Wenzhang; Li, Junli

2014-09-01

With the rapidly growing number of CT examinations, the consequential radiation risk has aroused more and more attention. The average dose in each organ during CT scans can only be obtained by using Monte Carlo simulation with computational phantoms. Since children tend to have higher radiation sensitivity than adults, the radiation dose of pediatric CT examinations requires special attention and needs to be assessed accurately. So far, studies on organ doses from CT exposures for pediatric patients are still limited. In this work, a 1-year-old computational phantom was constructed. The body contour was obtained from the CT images of a 1-year-old physical phantom and the internal organs were deformed from an existing Chinese reference adult phantom. To ensure the organ locations in the 1-year-old computational phantom were consistent with those of the physical phantom, the organ locations in 1-year-old computational phantom were manually adjusted one by one, and the organ masses were adjusted to the corresponding Chinese reference values. Moreover, a CT scanner model was developed using the Monte Carlo technique and the 1-year-old computational phantom was applied to estimate organ doses derived from simulated CT exposures. As a result, a database including doses to 36 organs and tissues from 47 single axial scans was built. It has been verified by calculation that doses of axial scans are close to those of helical scans; therefore, this database could be applied to helical scans as well. Organ doses were calculated using the database and compared with those obtained from the measurements made in the physical phantom for helical scans. The differences between simulation and measurement were less than 25% for all organs. The result shows that the 1-year-old phantom developed in this work can be used to calculate organ doses in CT exposures, and the dose database provides a method for the estimation of 1-year-old patient doses in a variety of CT examinations.

3D nanomolding and fluid mixing in micromixers with micro-patterned microchannel walls.

PubMed

Farshchian, Bahador; Amirsadeghi, Alborz; Choi, Junseo; Park, Daniel S; Kim, Namwon; Park, Sunggook

2017-01-01

Microfluidic devices where the microchannel walls were decorated with micro and nanostructures were fabricated using 3D nanomolding. Using 3D molded microfluidic devices with microchannel walls decorated with microscale gratings, the fluid mixing behavior was investigated through experiments and numerical simulation. The use of microscale gratings in the micromixer was predicated by the fact that large obstacles in a microchannel enhances the mixing performance. Slanted ratchet gratings on the channel walls resulted in a helical flow along the microchannel, thus increasing the interfacial area between fluids and cutting down the diffusion length. Increasing the number of walls decorated with continuous ratchet gratings intensified the strength of the helical flow, enhancing mixing further. When ratchet gratings on the surface of the top cover plate were aligned in a direction to break the continuity of gratings from the other three walls, a stack of two helical flows was formed one above each other. This work concludes that the 3D nanomolding process can be a cost-effective tool for scaling-up the fabrication of microfluidic mixers with improved mixing efficiencies.Graphical abstractIn this paper we show that a micromixer with patterned walls can be fabricated using 3D nanomolding and solvent-assisted bonding to manipulate the flow patterns to improve mixing.

Experimental investigation of TiO2/water nanofluid laminar forced convective heat transfer through helical coiled tube

NASA Astrophysics Data System (ADS)

Kahani, M.; Zeinali Heris, S.; Mousavi, S. M.

2014-05-01

Coiled tubes and nanofludics are two significant techniques to enhance the heat transfer ability of thermal equipments. The forced convective heat transfer and the pressure drop of nanofluid inside straight tube and helical coiled one with a constant wall heat flux were studied experimentally. Distilled water was used as a host fluid and Nanofluids of aqueous TiO2 nanoparticles (50 nm) suspensions were prepared in various volume concentrations of 0.25-2 %. The heat transfer coefficient of nanofluids is obtained for different nanoparticle concentrations as well as various Reynolds numbers. The experiments covered a range of Reynolds number of 500-4,500. The results show the considerable enhancement of heat transfer rate, which is due to the nanoparticles present in the fluid. Heat transfer coefficient increases by increasing the volume concentration of nanoparticles as well as Reynolds number. Moreover, due to the curvature of the tube when fluid flows inside helical coiled tube instead of straight one, both convective heat transfer coefficient and the pressure drop of fluid grow considerably. Also, the thermal performance factors for tested nanofluids are greater than unity and the maximum thermal performance factor of 3.72 is found with the use of 2.0 % volume concentration of nanofluid at Reynolds number of 1,750.

Accurate Time-Dependent Traveling-Wave Tube Model Developed for Computational Bit-Error-Rate Testing

NASA Technical Reports Server (NTRS)

Kory, Carol L.

2001-01-01

The phenomenal growth of the satellite communications industry has created a large demand for traveling-wave tubes (TWT's) operating with unprecedented specifications requiring the design and production of many novel devices in record time. To achieve this, the TWT industry heavily relies on computational modeling. However, the TWT industry's computational modeling capabilities need to be improved because there are often discrepancies between measured TWT data and that predicted by conventional two-dimensional helical TWT interaction codes. This limits the analysis and design of novel devices or TWT's with parameters differing from what is conventionally manufactured. In addition, the inaccuracy of current computational tools limits achievable TWT performance because optimized designs require highly accurate models. To address these concerns, a fully three-dimensional, time-dependent, helical TWT interaction model was developed using the electromagnetic particle-in-cell code MAFIA (Solution of MAxwell's equations by the Finite-Integration-Algorithm). The model includes a short section of helical slow-wave circuit with excitation fed by radiofrequency input/output couplers, and an electron beam contained by periodic permanent magnet focusing. A cutaway view of several turns of the three-dimensional helical slow-wave circuit with input/output couplers is shown. This has been shown to be more accurate than conventionally used two-dimensional models. The growth of the communications industry has also imposed a demand for increased data rates for the transmission of large volumes of data. To achieve increased data rates, complex modulation and multiple access techniques are employed requiring minimum distortion of the signal as it is passed through the TWT. Thus, intersymbol interference (ISI) becomes a major consideration, as well as suspected causes such as reflections within the TWT. To experimentally investigate effects of the physical TWT on ISI would be prohibitively expensive, as it would require manufacturing numerous amplifiers, in addition to acquiring the required digital hardware. As an alternative, the time-domain TWT interaction model developed here provides the capability to establish a computational test bench where ISI or bit error rate can be simulated as a function of TWT operating parameters and component geometries. Intermodulation products, harmonic generation, and backward waves can also be monitored with the model for similar correlations. The advancements in computational capabilities and corresponding potential improvements in TWT performance may prove to be the enabling technologies for realizing unprecedented data rates for near real time transmission of the increasingly larger volumes of data demanded by planned commercial and Government satellite communications applications. This work is in support of the Cross Enterprise Technology Development Program in Headquarters' Advanced Technology & Mission Studies Division and the Air Force Office of Scientific Research Small Business Technology Transfer programs.

The biomechanical role of overall-shape transformation in a primitive multicellular organism: A case study of dimorphism in the filamentous cyanobacterium Arthrospira platensis.

PubMed

Chaiyasitdhi, Atitheb; Miphonpanyatawichok, Wirat; Riehle, Mathis Oliver; Phatthanakun, Rungrueang; Surareungchai, Werasak; Kundhikanjana, Worasom; Kuntanawat, Panwong

2018-01-01

Morphological transformations in primitive organisms have long been observed; however, its biomechanical roles are largely unexplored. In this study, we investigate the structural advantages of dimorphism in Arthrospira platensis, a filamentous multicellular cyanobacterium. We report that helical trichomes, the default shape, have a higher persistence length (Lp), indicating a higher resistance to bending or a large value of flexural rigidity (kf), the product of the local cell stiffness (E) and the moment of inertia of the trichomes' cross-section (I). Through Atomic Force Microscopy (AFM), we determined that the E of straight and helical trichomes were the same. In contrast, our computational model shows that I is greatly dependent on helical radii, implying that trichome morphology is the major contributor to kf variation. According to our estimation, increasing the helical radii alone can increase kf by 2 orders of magnitude. We also observe that straight trichomes have improved gliding ability, due to its structure and lower kf. Our study shows that dimorphism provides mechanical adjustability to the organism and may allow it to thrive in different environmental conditions. The higher kf provides helical trichomes a better nutrient uptake through advection in aquatic environments. On the other hand, the lower kf improves the gliding ability of straight trichomes in aquatic environments, enabling it to chemotactically relocate to more favorable territories when it encounters certain environmental stresses. When more optimal conditions are encountered, straight trichomes can revert to their original helical form. Our study is one of the first to highlight the biomechanical role of an overall-shape transformation in cyanobacteria.

Evaluation of CFD Methods for Simulation of Two-Phase Boiling Flow Phenomena in a Helical Coil Steam Generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pointer, William David; Shaver, Dillon; Liu, Yang

The U.S. Department of Energy, Office of Nuclear Energy charges participants in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program with the development of advanced modeling and simulation capabilities that can be used to address design, performance and safety challenges in the development and deployment of advanced reactor technology. The NEAMS has established a high impact problem (HIP) team to demonstrate the applicability of these tools to identification and mitigation of sources of steam generator flow induced vibration (SGFIV). The SGFIV HIP team is working to evaluate vibration sources in an advanced helical coil steam generator using computational fluidmore » dynamics (CFD) simulations of the turbulent primary coolant flow over the outside of the tubes and CFD simulations of the turbulent multiphase boiling secondary coolant flow inside the tubes integrated with high resolution finite element method assessments of the tubes and their associated structural supports. This report summarizes the demonstration of a methodology for the multiphase boiling flow analysis inside the helical coil steam generator tube. A helical coil steam generator configuration has been defined based on the experiments completed by Polytecnico di Milano in the SIET helical coil steam generator tube facility. Simulations of the defined problem have been completed using the Eulerian-Eulerian multi-fluid modeling capabilities of the commercial CFD code STAR-CCM+. Simulations suggest that the two phases will quickly stratify in the slightly inclined pipe of the helical coil steam generator. These results have been successfully benchmarked against both empirical correlations for pressure drop and simulations using an alternate CFD methodology, the dispersed phase mixture modeling capabilities of the open source CFD code Nek5000.« less

Relational Programming.

DTIC Science & Technology

1983-09-01

be illustrated by example. If ’z’ is the name of an individual and ’C’ is the name of a class (set), then ’ zEC ’ means that the individual denoted by ’z...will abbreviate this un z. Conversely, if C is a single element class, then un-1 C selects the unique member of that class: un-1C = Lz( zEC ). It is...Professor Peter Henderson1 Department of Computer Science SUNY at Stony Brook Long Island, NY 11794 Dr. Olle Olsson Department of Computer Science

γ5 in the four-dimensional helicity scheme

NASA Astrophysics Data System (ADS)

Gnendiger, C.; Signer, A.

2018-05-01

We investigate the regularization-scheme dependent treatment of γ5 in the framework of dimensional regularization, mainly focusing on the four-dimensional helicity scheme (fdh). Evaluating distinctive examples, we find that for one-loop calculations, the recently proposed four-dimensional formulation (fdf) of the fdh scheme constitutes a viable and efficient alternative compared to more traditional approaches. In addition, we extend the considerations to the two-loop level and compute the pseudoscalar form factors of quarks and gluons in fdh. We provide the necessary operator renormalization and discuss at a practical level how the complexity of intermediate calculational steps can be reduced in an efficient way.

A mechanism for the dynamo terms to sustain closed-flux current, including helicity balance, by driving current which crosses the magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jarboe, T. R.; Nelson, B. A.; Sutherland, D. A.

2015-07-15

An analysis of imposed dynamo current drive (IDCD) [T.R. Jarboe et al., Nucl. Fusion 52 083017 (2012)] reveals: (a) current drive on closed flux surfaces seems possible without relaxation, reconnection, or other flux-surface-breaking large events; (b) the scale size of the key physics may be smaller than is often computationally resolved; (c) helicity can be sustained across closed flux; and (d) IDCD current drive is parallel to the current which crosses the magnetic field to produce the current driving force. In addition to agreeing with spheromak data, IDCD agrees with selected tokamak data.

Computation of parton distributions from the quasi-PDF approach at the physical point

NASA Astrophysics Data System (ADS)

Alexandrou, Constantia; Bacchio, Simone; Cichy, Krzysztof; Constantinou, Martha; Hadjiyiannakou, Kyriakos; Jansen, Karl; Koutsou, Giannis; Scapellato, Aurora; Steffens, Fernanda

2018-03-01

We show the first results for parton distribution functions within the proton at the physical pion mass, employing the method of quasi-distributions. In particular, we present the matrix elements for the iso-vector combination of the unpolarized, helicity and transversity quasi-distributions, obtained with Nf = 2 twisted mass cloverimproved fermions and a proton boosted with momentum |p→| = 0.83 GeV. The momentum smearing technique has been applied to improve the overlap with the proton boosted state. Moreover, we present the renormalized helicity matrix elements in the RI' scheme, following the non-perturbative renormalization prescription recently developed by our group.

Metal artefact reduction for patients with metallic dental fillings in helical neck computed tomography: comparison of adaptive iterative dose reduction 3D (AIDR 3D), forward-projected model-based iterative reconstruction solution (FIRST) and AIDR 3D with single-energy metal artefact reduction (SEMAR).

PubMed

Yasaka, Koichiro; Kamiya, Kouhei; Irie, Ryusuke; Maeda, Eriko; Sato, Jiro; Ohtomo, Kuni

To compare the differences in metal artefact degree and the depiction of structures in helical neck CT, in patients with metallic dental fillings, among adaptive iterative dose reduction three dimensional (AIDR 3D), forward-projected model-based iterative reconstruction solution (FIRST) and AIDR 3D with single-energy metal artefact reduction (SEMAR-A). In this retrospective clinical study, 22 patients (males, 13; females, 9; mean age, 64.6 ± 12.6 years) with metallic dental fillings who underwent contrast-enhanced helical CT involving the oropharyngeal region were included. Neck axial images were reconstructed with AIDR 3D, FIRST and SEMAR-A. Metal artefact degree and depiction of structures (the apex and root of the tongue, parapharyngeal space, superior portion of the internal jugular chain and parotid gland) were evaluated on a four-point scale by two radiologists. Placing regions of interest, standard deviations of the oral cavity and nuchal muscle (at the slice where no metal exists) were measured and metal artefact indices were calculated (the square root of the difference of the squares of them). In SEMAR-A, metal artefact was significantly reduced and depictions of all structures were significantly improved compared with those in FIRST and AIDR 3D (p ≤ 0.001, sign test). Metal artefact index for the oral cavity in AIDR 3D/FIRST/SEMAR-A was 572.0/477.7/88.4, and significant differences were seen between each reconstruction algorithm (p < 0.0001, Wilcoxon signed-rank test). SEMAR-A could provide images with lesser metal artefact and better depiction of structures than AIDR 3D and FIRST.

National Lung Screening Trial: Questions and Answers

Cancer.gov

Learn the results of the National Lung Screening Trial (NLST), which compared two ways of detecting lung cancer: low-dose helical (spiral) computed tomography and standard chest X-ray, for their effects on lung cancer death rates in a high-risk population.

Enhanced Stability of DNA Nanostructures by Incorporation of Unnatural Base Pairs.

PubMed

Liu, Qing; Liu, Guocheng; Wang, Ting; Fu, Jing; Li, Rujiao; Song, Linlin; Wang, Zhen-Gang; Ding, Baoquan; Chen, Fei

2017-11-03

Self-assembled DNA nanostructures hold great promise in the fields of nanofabrication, biosensing and nanomedicine. However, the inherent low stability of the DNA double helices, formed by weak interactions, largely hinders the assembly and functions of DNA nanostructures. In this study, we redesigned and constructed a six-arm DNA junction by incorporation of the unnatural base pairs 5-Me-isoC/isoG and A/2-thioT into the double helices. They not only retained the structural integrity of the DNA nanostructure, but also showed enhanced thermal stability and resistance to T7 Exonuclease digestion. This research may expand the applications of DNA nanostructures in nanofabrication and biomedical fields, and furthermore, the genetic alphabet expansion with unnatural base pairs may enable us to construct more complicated and diversified self-assembled DNA nanostructures. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Control of the plasmonic near-field in metallic nanohelices.

PubMed

Caridad, José M; Winters, Sinéad; McCloskey, David; Duesberg, Georg S; Donegan, John F; Krstić, Vojislav

2018-08-10

The optical response of metallic nanohelices is mainly governed by a longitudinal localised surface plasmon resonance (LSPR) which arises due to the helical anisotropy of the system. Up to now, experimental studies have predominantly addressed the far-field response, despite the fact that the LSPR being of broad interest for converting incoming light into strongly enhanced (chiral) optical near-fields. Here, we demonstrate the control and spatial reproducibility of the plasmon-induced electromagnetic near-field around metallic nanohelices via surface-enhanced Raman scattering. We discuss how the near-field intensity of these nanostructures can be custom-tailored through both the nanoscaled helical structure and the electronic properties of the constituting metals. Our experiments, which employ graphene as an accurate probing material, are in quantitative agreement with corresponding numerical simulations. The findings demonstrate metallic nanohelices as reference nanostructured surfaces able to provide and fine-tune optical fields for fundamental studies as well as sensing or (chiro-optical) imaging applications.

Detailed microscopic unfolding pathways of an α-helix and a β-hairpin: direct observation and molecular dynamics.

PubMed

Jas, Gouri S; Hegefeld, Wendy A; Middaugh, C Russell; Johnson, Carey K; Kuczera, Krzysztof

2014-07-03

We present a combined experimental and computational study of unfolding pathways of a model 21-residue α-helical heteropeptide (W1H5-21) and a 16-residue β-hairpin (GB41-56). Experimentally, we measured fluorescence energy transfer efficiency as a function of temperature, employing natural tryptophans as donors and dansylated lysines as acceptors. Secondary structural analysis was performed with circular dichroism and Fourier transform infrared spectroscopy. Our studies present markedly different unfolding pathways of the two elementary secondary structural elements. During thermal denaturation, the helical peptide exhibits an initial decrease in length, followed by an increase, while the hairpin undergoes a systematic increase in length. In the complementary computational part of the project, we performed microsecond length replica-exchange molecular dynamics simulations of the peptides in explicit solvent, yielding a detailed microscopic picture of the unfolding processes. For the α-helical peptide, we found a large heterogeneous population of intermediates that are primarily frayed single helices or helix-turn-helix motifs. Unfolding starts at the termini and proceeds through a stable helical region in the interior of the peptide but shifted off-center toward the C-terminus. The simulations explain the experimentally observed non-monotonic variation of helix length with temperature as due primarily to the presence of frayed-end single-helix intermediate structures. For the β-hairpin peptide, our simulations indicate that folding is initiated at the turn, followed by formation of the hairpin in zipper-like fashion, with Cα···Cα contacts propagating from the turn to termini and hairpin hydrogen bonds forming in parallel with these contacts. In the early stages of hairpin formation, the hydrophobic side-chain contacts are only partly populated. Intermediate structures with low numbers of β-hairpin hydrogen bonds have very low populations. This is in accord with the "broken zipper" model of Scheraga. The monotonic increase in length with temperature may be explained by the zipper-like breaking of the hairpin hydrogen bonds and backbone contacts.

Conformational Changes in the Epidermal Growth Factor Receptor: Role of the Transmembrane Domain Investigated by Coarse-Grained MetaDynamics Free Energy Calculations

PubMed Central

2016-01-01

The epidermal growth factor receptor (EGFR) is a dimeric membrane protein that regulates key aspects of cellular function. Activation of the EGFR is linked to changes in the conformation of the transmembrane (TM) domain, brought about by changes in interactions of the TM helices of the membrane lipid bilayer. Using an advanced computational approach that combines Coarse-Grained molecular dynamics and well-tempered MetaDynamics (CG-MetaD), we characterize the large-scale motions of the TM helices, simulating multiple association and dissociation events between the helices in membrane, thus leading to a free energy landscape of the dimerization process. The lowest energy state of the TM domain is a right-handed dimer structure in which the TM helices interact through the N-terminal small-X3-small sequence motif. In addition to this state, which is thought to correspond to the active form of the receptor, we have identified further low-energy states that allow us to integrate with a high level of detail a range of previous experimental observations. These conformations may lead to the active state via two possible activation pathways, which involve pivoting and rotational motions of the helices, respectively. Molecular dynamics also reveals correlation between the conformational changes of the TM domains and of the intracellular juxtamembrane domains, paving the way for a comprehensive understanding of EGFR signaling at the cell membrane. PMID:27459426

Conformational Changes in the Epidermal Growth Factor Receptor: Role of the Transmembrane Domain Investigated by Coarse-Grained MetaDynamics Free Energy Calculations.

PubMed

Lelimousin, Mickaël; Limongelli, Vittorio; Sansom, Mark S P

2016-08-24

The epidermal growth factor receptor (EGFR) is a dimeric membrane protein that regulates key aspects of cellular function. Activation of the EGFR is linked to changes in the conformation of the transmembrane (TM) domain, brought about by changes in interactions of the TM helices of the membrane lipid bilayer. Using an advanced computational approach that combines Coarse-Grained molecular dynamics and well-tempered MetaDynamics (CG-MetaD), we characterize the large-scale motions of the TM helices, simulating multiple association and dissociation events between the helices in membrane, thus leading to a free energy landscape of the dimerization process. The lowest energy state of the TM domain is a right-handed dimer structure in which the TM helices interact through the N-terminal small-X3-small sequence motif. In addition to this state, which is thought to correspond to the active form of the receptor, we have identified further low-energy states that allow us to integrate with a high level of detail a range of previous experimental observations. These conformations may lead to the active state via two possible activation pathways, which involve pivoting and rotational motions of the helices, respectively. Molecular dynamics also reveals correlation between the conformational changes of the TM domains and of the intracellular juxtamembrane domains, paving the way for a comprehensive understanding of EGFR signaling at the cell membrane.

Traumatic rupture of the aortic isthmus: program of selective management.

PubMed

Pate, J W; Gavant, M L; Weiman, D S; Fabian, T C

1999-01-01

Two hypotheses were investigated: (1) helical computed tomography (CT) of the chest on victims of decelerating trauma can yield a diagnosis of, or "rule out," a traumatic rupture of the aorta (TRA) without the need for an aortogram; and (2) selective delay of aortic repair can be safely accomplished through a medical management protocol. Screening helical CT examinations were done on 6169 victims of blunt thoracic trauma; 47 were found to have TRA; in 8, indirect but nondiagnostic findings not clarified by an aortogram led to surgical exploration. The sensitivity of helical CT was higher than that of aortograms, and a "normal" helical CT scan was never associated with a proved TRA. It is estimated that the use of helical CT has resulted in at least a 40% to 50% decrease in the need for aortograms, in addition to yielding rapid, noninvasive valuable information about other injuries. Drugs (beta-blockers +/- vasodilators) to decrease the stress in the aortic wall were used in 93 patients when the diagnosis was suspected and were continued as necessary through the evaluation, stabilization, and until the aorta was cross-clamped at operation. Elective, delayed operation was done between 2 days and 25 months in 15 patients who were deemed to be excessive risks for emergency aortic repair; there were 2 deaths (13. 3%). Eleven patients never had aortic repair. No patient maintained on this protocol, whether repaired emergently, electively, or not at all, developed free rupture of the periaortic hematoma and death from TRA.

Two-fluid flowing equilibria of spherical torus sustained by coaxial helicity injection

NASA Astrophysics Data System (ADS)

Kanki, Takashi; Steinhauer, Loren; Nagata, Masayoshi

2007-11-01

Two-dimensional equilibria in helicity-driven systems using two-fluid model were previously computed, showing the existence of an ultra-low-q spherical torus (ST) configuration with diamagnetism and higher beta. However, this computation assumed purely toroidal ion flow and uniform density. The purpose of the present study is to apply the two-fluid model to the two-dimensional equilibria of helicity-driven ST with non-uniform density and both toroidal and poloidal flows for each species by means of the nearby-fluids procedure, and to explore their properties. We focus our attention on the equilibria relevant to the HIST device, which are characterized by either driven or decaying λ profiles. The equilibrium for the driven λ profile has a diamagnetic toroidal field, high-β (βt = 32%), and centrally broad density. By contrast, the decaying equilibrium has a paramagnetic toroidal field, low-β (βt = 10%), and centrally peaked density with a steep gradient in the outer edge region. In the driven case, the toroidal ion and electron flows are in the same direction, and two-fluid effects are less important since the ExB drift is dominant. In the decaying case, the toroidal ion and electron flows are opposite in the outer edge region, and two-fluid effects are significant locally in the edge due to the ion diamagnetic drift.

Spur, helical, and spiral bevel transmission life modeling

NASA Technical Reports Server (NTRS)

Savage, Michael; Rubadeux, Kelly L.; Coe, Harold H.; Coy, John J.

1994-01-01

A computer program, TLIFE, which estimates the life, dynamic capacity, and reliability of aircraft transmissions, is presented. The program enables comparisons of transmission service life at the design stage for optimization. A variety of transmissions may be analyzed including: spur, helical, and spiral bevel reductions as well as series combinations of these reductions. The basic spur and helical reductions include: single mesh, compound, and parallel path plus revert star and planetary gear trains. A variety of straddle and overhung bearing configurations on the gear shafts are possible as is the use of a ring gear for the output. The spiral bevel reductions include single and dual input drives with arbitrary shaft angles. The program is written in FORTRAN 77 and has been executed both in the personal computer DOS environment and on UNIX workstations. The analysis may be performed in either the SI metric or the English inch system of units. The reliability and life analysis is based on the two-parameter Weibull distribution lives of the component gears and bearings. The program output file describes the overall transmission and each constituent transmission, its components, and their locations, capacities, and loads. Primary output is the dynamic capacity and 90-percent reliability and mean lives of the unit transmissions and the overall system which can be used to estimate service overhaul frequency requirements. Two examples are presented to illustrate the information available for single element and series transmissions.

A Real-Time Imaging System for Stereo Atomic Microscopy at SPring-8's BL25SU

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsushita, Tomohiro; Guo, Fang Zhun; Muro, Takayuki

2007-01-19

We have developed a real-time photoelectron angular distribution (PEAD) and Auger-electron angular distribution (AEAD) imaging system at SPring-8 BL25SU, Japan. In addition, a real-time imaging system for circular dichroism (CD) studies of PEAD/AEAD has been newly developed. Two PEAD images recorded with left- and right-circularly polarized light can be regarded as a stereo image of the atomic arrangement. A two-dimensional display type mirror analyzer (DIANA) has been installed at the beamline, making it possible to record PEAD/AEAD patterns with an acceptance angle of {+-}60 deg. in real-time. The twin-helical undulators at BL25SU enable helicity switching of the circularly polarized lightmore » at 10Hz, 1Hz or 0.1Hz. In order to realize real-time measurements of the CD of the PEAD/AEAD, the CCD camera must be synchronized to the switching frequency. The VME computer that controls the ID is connected to the measurement computer with two BNC cables, and the helicity information is sent using TTL signals. For maximum flexibility, rather than using a hardware shutter synchronizing with the TTL signal we have developed software to synchronize the CCD shutter with the TTL signal. We have succeeded in synchronizing the CCD camera in both the 1Hz and 0.1Hz modes.« less

Computer-aided diagnosis workstation and network system for chest diagnosis based on multislice CT images

NASA Astrophysics Data System (ADS)

Satoh, Hitoshi; Niki, Noboru; Mori, Kiyoshi; Eguchi, Kenji; Kaneko, Masahiro; Kakinuma, Ryutarou; Moriyama, Noriyuki; Ohmatsu, Hironobu; Masuda, Hideo; Machida, Suguru

2007-03-01

Multislice CT scanner advanced remarkably at the speed at which the chest CT images were acquired for mass screening. Mass screening based on multislice CT images requires a considerable number of images to be read. It is this time-consuming step that makes the use of helical CT for mass screening impractical at present. To overcome this problem, we have provided diagnostic assistance methods to medical screening specialists by developing a lung cancer screening algorithm that automatically detects suspected lung cancers in helical CT images and a coronary artery calcification screening algorithm that automatically detects suspected coronary artery calcification. Moreover, we have provided diagnostic assistance methods to medical screening specialists by using a lung cancer screening algorithm built into mobile helical CT scanner for the lung cancer mass screening done in the region without the hospital. We also have developed electronic medical recording system and prototype internet system for the community health in two or more regions by using the Virtual Private Network router and Biometric fingerprint authentication system and Biometric face authentication system for safety of medical information. Based on these diagnostic assistance methods, we have now developed a new computer-aided workstation and database that can display suspected lesions three-dimensionally in a short time. This paper describes basic studies that have been conducted to evaluate this new system.

Enhancement of helium exhaust by resonant magnetic perturbations at TEXTOR-DED and LHD

NASA Astrophysics Data System (ADS)

Schmitz, O.; Kobayashi, M.; Bader, A.; Brezinsek, S.; Evans, T. E.; Funaba, H.; Goto, M.; Ida, K.; Mitarai, O.; Morisaki, T.; Motojima, G.; Narushima, Y.; Nicolai, D.; Samm, U.; Tanaka, H.; Yoshinuma, M.; Xu, Y.; Textor Experiment Team; Lhd Experiment Team

2015-11-01

We demonstrate in this paper that resonant magnetic perturbation (RMP) fields can be used to enhance helium exhaust. Results from TEXTOR-DED as example for a tokamak with a pumped limiter and from the Large Helical Device LHD with the closed helical divertor as example for a heliotron device are presented. In both devices RMP fields are applied to generate a magnetic island located in the very plasma edge. The effective helium confinement time is decreased by up to 30% at LHD and up to 45% at TEXTOR-DED when RMP fields are applied. The measurements from both devices support that this reduction is caused by combination of enhanced outward transport of helium, improved coupling to the pumping systems yielding improved exhaust of helium from the SOL and reduced fueling efficiencies for both, injected and recycled helium. Work supported in part by JSPS KAKENHI Grant Numbers 25420893, start up funds of the Department of Engineering Physics at the University of Wisconsin - Madison, USA and U.S. DOE Contract #: DE-SC0013911.

Geometric and computer-aided spline hob modeling

NASA Astrophysics Data System (ADS)

Brailov, I. G.; Myasoedova, T. M.; Panchuk, K. L.; Krysova, I. V.; Rogoza, YU A.

2018-03-01

The paper considers acquiring the spline hob geometric model. The objective of the research is the development of a mathematical model of spline hob for spline shaft machining. The structure of the spline hob is described taking into consideration the motion in parameters of the machine tool system of cutting edge positioning and orientation. Computer-aided study is performed with the use of CAD and on the basis of 3D modeling methods. Vector representation of cutting edge geometry is accepted as the principal method of spline hob mathematical model development. The paper defines the correlations described by parametric vector functions representing helical cutting edges designed for spline shaft machining with consideration for helical movement in two dimensions. An application for acquiring the 3D model of spline hob is developed on the basis of AutoLISP for AutoCAD environment. The application presents the opportunity for the use of the acquired model for milling process imitation. An example of evaluation, analytical representation and computer modeling of the proposed geometrical model is reviewed. In the mentioned example, a calculation of key spline hob parameters assuring the capability of hobbing a spline shaft of standard design is performed. The polygonal and solid spline hob 3D models are acquired by the use of imitational computer modeling.

Salt-bridging effects on short amphiphilic helical structure and introducing sequence-based short beta-turn motifs.

PubMed

Guarracino, Danielle A; Gentile, Kayla; Grossman, Alec; Li, Evan; Refai, Nader; Mohnot, Joy; King, Daniel

2018-02-01

Determining the minimal sequence necessary to induce protein folding is beneficial in understanding the role of protein-protein interactions in biological systems, as their three-dimensional structures often dictate their activity. Proteins are generally comprised of discrete secondary structures, from α-helices to β-turns and larger β-sheets, each of which is influenced by its primary structure. Manipulating the sequence of short, moderately helical peptides can help elucidate the influences on folding. We created two new scaffolds based on a modestly helical eight-residue peptide, PT3, we previously published. Using circular dichroism (CD) spectroscopy and changing the possible salt-bridging residues to new combinations of Lys, Arg, Glu, and Asp, we found that our most helical improvements came from the Arg-Glu combination, whereas the Lys-Asp was not significantly different from the Lys-Glu of the parent scaffold, PT3. The marked 3 10 -helical contributions in PT3 were lessened in the Arg-Glu-containing peptide with the beginning of cooperative unfolding seen through a thermal denaturation. However, a unique and unexpected signature was seen for the denaturation of the Lys-Asp peptide which could help elucidate the stages of folding between the 3 10 and α-helix. In addition, we developed a short six-residue peptide with β-turn/sheet CD signature, again to help study minimal sequences needed for folding. Overall, the results indicate that improvements made to short peptide scaffolds by fine-tuning the salt-bridging residues can enhance scaffold structure. Likewise, with the results from the new, short β-turn motif, these can help impact future peptidomimetic designs in creating biologically useful, short, structured β-sheet-forming peptides.

Enhanced Tolerance of Transgenic Potato Plants Over-Expressing Non-specific Lipid Transfer Protein-1 (StnsLTP1) against Multiple Abiotic Stresses

PubMed Central

Gangadhar, Baniekal H.; Sajeesh, Kappachery; Venkatesh, Jelli; Baskar, Venkidasamy; Abhinandan, Kumar; Yu, Jae W.; Prasad, Ram; Mishra, Raghvendra K.

2016-01-01

Abiotic stresses such as heat, drought, and salinity are major environmental constraints that limit potato (Solanum tuberosum L.) production worldwide. Previously, we found a potential thermo-tolerance gene, named StnsLTP1 from potato using yeast functional screening. Here, we report the functional characterization of StnsLTP1 and its role in multiple abiotic stresses in potato plants. Computational analysis of StnsLTP1 with other plant LTPs showed eight conserved cysteine residues, and four α-helices stabilized by four disulfide bridges. Expression analysis of StnsLTP1 gene showed differential expression under heat, water-deficit and salt stresses. Transgenic potato lines over-expressing StnsLTP1 gene displayed enhanced cell membrane integrity under stress conditions, as indicated by reduced membrane lipid per-oxidation, and hydrogen peroxide content relative to untransformed (UT) control plants. In addition, transgenic lines over-expressing StLTP1 also exhibited increased antioxidant enzyme activity with enhanced accumulation of ascorbates, and up-regulation of stress-related genes including StAPX, StCAT, StSOD, StHsfA3, StHSP70, and StsHSP20 compared with the UT plants. These results suggests that StnsLTP1 transgenic plants acquired improved tolerance to multiple abiotic stresses through enhanced activation of antioxidative defense mechanisms via cyclic scavenging of reactive oxygen species and regulated expression of stress-related genes. PMID:27597854

β N-O turns and helices induced by β2-aminoxy peptides: synthesis and conformational studies.

PubMed

Jiao, Zhi-Gang; Chang, Xiao-Wei; Ding, Wei; Liu, Guo-Jun; Song, Ke-Sheng; Zhu, Nian-Yong; Zhang, Dan-Wei; Yang, Dan

2011-07-04

Herein, we report an efficient route for the asymmetric synthesis of β(2)-aminoxy acids as well as experimental and theoretical studies of conformations of peptides composed of β(2)-aminoxy acids. The nine-membered-ring intramolecular hydrogen bonds, namely, β N-O turns, are generated between adjacent residues in those peptides, in accordance with our computational results. The presence of two consecutive homochiral β N-O turns leads to the formation of β N-O helical structures in solution, although both helical (composed of two β N-O turns of the same handedness) and reverse-turn (composed of two β N-O turns with opposite handedness) structures are of similar stability, as suggested by theoretical studies. Nevertheless, two slightly different conformations, with the same handedness, of β(2)-aminoxy monomers have been observed in the solid state and in solution according to our X-ray and 2D NOESY studies. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Navigating around the algebraic jungle of QCD: efficient evaluation of loop helicity amplitudes

NASA Astrophysics Data System (ADS)

Lam, C. S.

1993-05-01

A method is developed whereby spinor helicity techniques can be used to simlify the calculation of loop amplitudes. This is achieved by using the Feynman-parameter representation where the offending off-shell loop momenta do not appear. Other shortcuts motivated by the Bern-Kosower one-loop string calculations can be incorporated into the formalism. This includes color reorganization into Chan-Paton factors and the use of background Feynman gauge. This method is applicable to any Feynman diagram with any number of loops as long as the external masses can be ignored. In order to minimize the very considerable algebra encountered in non-abelian gauge theories, graphical methods are developed for most of the calculations. This enables the large number of terms encountered to be organized implicitly in the Feynman diagram without the necessity of writing down any of them algebraically. A one-loop four-gluon amplitude in a particular helicity configuration is computed explicitly to illustrate the method.

Synthesis, optical properties, and helical self-assembly of a bivaline-containing tetraphenylethene

NASA Astrophysics Data System (ADS)

Li, Hongkun; Zheng, Xiaoyan; Su, Huimin; Lam, Jacky W. Y.; Sing Wong, Kam; Xue, Shan; Huang, Xuejiao; Huang, Xuhui; Li, Bing Shi; Tang, Ben Zhong

2016-01-01

A chiral tetraphenylethene derivative with two valine-containing attachments (TPE-DVAL), was synthesized by Cu(I)-catalyzed azide-alkyne “click” reaction. The optical properties and self-assembling behaviours of TPE-DVAL were investigated. The molecule is non-emissive and circular dichroism (CD)-silent in solution, but shows strong fluorescence and Cotton effects in the aggregation state, demonstrating aggregation-induced emission (AIE) and CD (AICD) characteristics. TPE-DVAL exhibits good circularly polarized luminescence (CPL) when depositing on the surface of quartz to allow the evaporation of its 1,2-dichloroethane solution. SEM and TEM images of the molecule show that the molecule readily self-assembles into right-handed helical nanofibers upon the evaporation of its solvent of DCE. The molecular alignments and interactions in assembling process are further explored through XRD analysis and computational simulation. The driving forces for the formation of the helical fibers were from the cooperative effects of intermolecular hydrogen bonding, π-π interactions and steric effect.

Acceptability of an Embodied Conversational Agent-based Computer Application for Hispanic Women

PubMed Central

Wells, Kristen J.; Vázquez-Otero, Coralia; Bredice, Marissa; Meade, Cathy D.; Chaet, Alexis; Rivera, Maria I.; Arroyo, Gloria; Proctor, Sara K.; Barnes, Laura E.

2015-01-01

There are few Spanish language interactive, technology-driven health education programs. Objectives of this feasibility study were to: 1) learn more about computer and technology usage among Hispanic women living in a rural community; and 2) evaluate acceptability of the concept of using an embodied conversational agent (ECA) computer application among this population. A survey about computer usage history and interest in computers was administered to a convenience sample of 26 women. A sample video prototype of a hospital discharge ECA was administered followed by questions to gauge opinion about the ECA. Data indicate women exhibited both a high level of computer experience and enthusiasm for the ECA. Feedback from community is essential to ensure equity in state of the art dissemination of health information. Hay algunos programas interactivos en español que usan la tecnología para educar sobre la salud. Los objetivos de este estudio fueron: 1) aprender más sobre el uso de computadoras y tecnología entre mujeres Hispanas que viven en comunidades rurales y 2) evaluar la aceptabilidad del concepto de usar un programa de computadora utilizando un agente de conversación encarnado (ECA) en esta población. Se administro una encuesta sobre el historial de uso y del interés de aprender sobre computadoras fue a 26 mujeres por muestreo de conveniencia. Un ejemplo del prototipo ECA en forma de video de un alta hospitalaria fue administrado y fue seguido por preguntas sobre la opinión que tenían del ECA. Los datos indican que las mujeres mostraron un alto nivel de experiencia con las computadoras y un alto nivel de entusiasmo sobre el ECA. La retroalimentación de la comunidad es esencial para asegurar equidad en la diseminación de información sobre la salud con tecnología de punta. PMID:26671558

A constraint logic programming approach to associate 1D and 3D structural components for large protein complexes.

PubMed

Dal Palù, Alessandro; Pontelli, Enrico; He, Jing; Lu, Yonggang

2007-01-01

The paper describes a novel framework, constructed using Constraint Logic Programming (CLP) and parallelism, to determine the association between parts of the primary sequence of a protein and alpha-helices extracted from 3D low-resolution descriptions of large protein complexes. The association is determined by extracting constraints from the 3D information, regarding length, relative position and connectivity of helices, and solving these constraints with the guidance of a secondary structure prediction algorithm. Parallelism is employed to enhance performance on large proteins. The framework provides a fast, inexpensive alternative to determine the exact tertiary structure of unknown proteins.

Turbulent convective heat transfer of methane at supercritical pressure in a helical coiled tube

NASA Astrophysics Data System (ADS)

Wang, Chenggang; Sun, Baokun; Lin, Wei; He, Fan; You, Yingqiang; Yu, Jiuyang

2018-02-01

The heat transfer of methane at supercritical pressure in a helically coiled tube was numerically investigated using the Reynolds Stress Model under constant wall temperature. The effects of mass flux ( G), inlet pressure ( P in) and buoyancy force on the heat transfer behaviors were discussed in detail. Results show that the light fluid with higher temperature appears near the inner wall of the helically coiled tube. When the bulk temperature is less than or approach to the pseudocritical temperature ( T pc ), the combined effects of buoyancy force and centrifugal force make heavy fluid with lower temperature appear near the outer-right of the helically coiled tube. Beyond the T pc , the heavy fluid with lower temperature moves from the outer-right region to the outer region owing to the centrifugal force. The buoyancy force caused by density variation, which can be characterized by Gr/ Re 2 and Gr/ Re 2.7, enhances the heat transfer coefficient ( h) when the bulk temperature is less than or near the T pc , and the h experiences oscillation due to the buoyancy force. The oscillation is reduced progressively with the increase of G. Moreover, h reaches its peak value near the T pc . Higher G could improve the heat transfer performance in the whole temperature range. The peak value of h depends on P in. A new correlation was proposed for methane at supercritical pressure convective heat transfer in the helical tube, which shows a good agreement with the present simulated results.

Numerical analysis of the hemodynamic effect of plaque ulceration in the stenotic carotid artery bifurcation

NASA Astrophysics Data System (ADS)

Wong, Emily Y.; Milner, Jaques S.; Steinman, David A.; Poepping, Tamie L.; Holdsworth, David W.

2009-02-01

The presence of ulceration in carotid artery plaque is an independent risk factor for thromboembolic stroke. However, the associated pathophysiological mechanisms - in particular the mechanisms related to the local hemodynamics in the carotid artery bifurcation - are not well understood. We investigated the effect of carotid plaque ulceration on the local time-varying three-dimensional flow field using computational fluid dynamics (CFD) models of a stenosed carotid bifurcation geometry, with and without the presence of ulceration. CFD analysis of each model was performed with a spatial finite element discretization of over 150,000 quadratic tetrahedral elements and a temporal discretization of 4800 timesteps per cardiac cycle, to adequately resolve the flow field and pulsatile flow, respectively. Pulsatile flow simulations were iterated for five cardiac cycles to allow for cycle-to-cycle analysis following the damping of initial transients in the solution. Comparison between models revealed differences in flow patterns induced by flow exiting from the region of the ulcer cavity, in particular, to the shape, orientation and helicity of the high velocity jet through the stenosis. The stenotic jet in both models exhibited oscillatory motion, but produced higher levels of phase-ensembled turbulence intensity in the ulcerated model. In addition, enhanced out-of-plane recirculation and helical flow was observed in the ulcerated model. These preliminary results suggest that local fluid behaviour may contribute to the thrombogenic risk associated with plaque ulcerations in the stenotic carotid artery bifurcation.

Computational study of packing a collagen-like molecule: quasi-hexagonal vs "Smith" collagen microfibril model.

PubMed

Lee, J; Scheraga, H A; Rackovsky, S

1996-01-01

The lateral packing of a collagen-like molecule, CH3CO-(Gly-L-Pro-L-Pro)4-NHCH3, has been examined by energy minimization with the ECEPP/3 force field. Two current packing models, the Smith collagen microfibril twisted equilateral pentagonal model and the quasi-hexagonal packing model, have been extensively investigated. In treating the Smith microfibril model, energy minimization was carried out on various conformations including those with the symmetry of equivalent packing, i.e., in which the triple helices were arranged equivalently with respect to each other. Both models are based on the experimental observation of the characteristic axial periodicity, D = 67 nm, of light and dark bands, indicating that, if any superstructure exists, it should consist of five triple helices. The quasi-hexagonal packing structure is found to be energetically more favorable than the Smith microfibril model by as much as 31.2 kcal/mol of five triple helices. This is because the quasi-hexagonal packing geometry provides more nonbonded interaction possibilities between triple helices than does the Smith microfibril geometry. Our results are consistent with recent x-ray studies with synthetic collagen-like molecules and rat tail tendon, in which the data were interpreted as being consistent with either a quasi-hexagonal or a square-triangular structure.

On the structure and statistical theory of turbulence of extended magnetohydrodynamics

DOE PAGES

Miloshevich, George; Lingam, Manasvi; Morrison, Philip J.

2017-01-16

Recent progress regarding the noncanonical Hamiltonian formulation of extended magnetohydrodynamics (XMHD), a model with Hall drift and electron inertia, is summarized. The advantages of the Hamiltonian approach are invoked to study some general properties of XMHD turbulence, and to compare them against their ideal MHD counterparts. For instance, the helicity flux transfer rates for XMHD are computed, and Liouville's theorem for this model is also verified. The latter is used, in conjunction with the absolute equilibrium states, to arrive at the spectra for the invariants, and to determine the direction of the cascades, e.g., generalizations of the well-known ideal MHDmore » inverse cascade of magnetic helicity. After a similar analysis is conducted for XMHD by inspecting second order structure functions and absolute equilibrium states, a couple of interesting results emerge. When cross helicity is taken to be ignorable, the inverse cascade of injected magnetic helicity also occurs in the Hall MHD range-this is shown to be consistent with previous results in the literature. In contrast, in the inertial MHD range, viz at scales smaller than the electron skin depth, all spectral quantities are expected to undergo direct cascading. Finally, the consequences and relevance of our results in space and astrophysical plasmas are also briefly discussed.« less

HolT Hunter: Software for Identifying and Characterizing Low-Strain DNA Holliday Triangles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sherman W. B.

2012-06-05

Synthetic DNA nanostructures are most commonly held together via Holliday junctions. These junctions allow for a wide variety of different angles between the double helices they connect. Nevertheless, only constructs with a very limited selection of angles have been built, to date, because of the computational complexity of identifying structures that fit together with low strain at odd angles. I have developed an algorithm that finds over 95% of the possible solutions by breaking the problem down into two portions. First, there is a problem of how smooth rods can form triangles by lying across one another. This problem ismore » easily handled by numerical computation. Second, there is the question of how distorted DNA double helices would need to be to fit onto the rod structure. This strain is calculated directly. The algorithm has been implemented in a Mathematica 8 notebook called Holliday Triangle Hunter. A large database of solutions has been identified. Additional interface software is available to facilitate drawing and viewing models.« less

Rib osteoblastic osteosarcoma in an African hedgehog (Atelerix albiventris).

PubMed

Benoit-Biancamano, Marie-Odile; D'Anjou, Marc-André; Girard, Christiane; Langlois, Isabelle

2006-07-01

A 3-year-old African hedgehog (Atelerix albiventris) was presented to the Exotic Animal Clinic of the University of Montreal for evaluation of a mass growing on the right thoracic wall. The diagnostic workup, which included helical computed tomography, confirmed the presence of a large mass, originating from the right 7th rib, infiltrating the thoracic wall and cavity. The animal was euthanized due to the poor prognosis. At necropsy, a well-demarcated mass penetrated the thoracic wall and incorporated the 6th to 8th ribs. Cut sections of the tumor were white, glistening, firm, and gritty. Microscopically, it was composed of polyhedral to elongated cells with interspersed trabeculae of osteoid and large areas of coagulative necrosis. On the basis of histopathologic findings, a diagnosis of osteoblastic osteosarcoma was made. To the authors' knowledge, this is the first report of an osteoblastic osteosarcoma on the thoracic wall of an African hedgehog, as well as the first report of the use of helical computed tomography in that species.

Continuum Gyrokinetic Simulations of Turbulence in a Helical Model SOL with NSTX-type parameters

NASA Astrophysics Data System (ADS)

Hammett, G. W.; Shi, E. L.; Hakim, A.; Stoltzfus-Dueck, T.

2017-10-01

We have developed the Gkeyll code to carry out 3D2V full- F gyrokinetic simulations of electrostatic plasma turbulence in open-field-line geometries, using special versions of discontinuous-Galerkin algorithms to help with the computational challenges of the edge region. (Higher-order algorithms can also be helpful for exascale computing as they reduce the ratio of communications to computations.) Our first simulations with straight field lines were done for LAPD-type cases. Here we extend this to a helical model of an SOL plasma and show results for NSTX-type parameters. These simulations include the basic elements of a scrape-off layer: bad-curvature/interchange drive of instabilities, narrow sources to model plasma leaking from the core, and parallel losses with model sheath boundary conditions (our model allows currents to flow in and out of the walls). The formation of blobs is observed. By reducing the strength of the poloidal magnetic field, the heat flux at the divertor plate is observed to broaden. Supported by the Max-Planck/Princeton Center for Plasma Physics, the SciDAC Center for the Study of Plasma Microturbulence, and DOE Contract DE-AC02-09CH11466.

Heat transfer and pressure drop studies of TiO2/DI water nanofluids in helically corrugated tubes using spiraled rod inserts

NASA Astrophysics Data System (ADS)

Anbu, S.; Venkatachalapathy, S.; Suresh, S.

2018-05-01

An experimental study on the convective heat transfer and friction factor characteristics of TiO2/DI water nanofluids in uniformly heated plain and helically corrugated tubes (HCT) with and without spiraled rod inserts (SRI) under laminar flow regime is presented in this paper. TiO2 nanoparticles with an average size of 32 nm are dispersed in deionized (DI) water to form stable suspensions containing 0.1, 0.15, 0.2, and 0.25% volume concentrations of nanoparticles. It is found that the inclusion of nanoparticles to DI water ameliorated Nusselt number which increased with nanoparticles concentration upto 0.2%. Two spiraled rod inserts made of copper with different pitches (pi = 50 mm and 30 mm) are inserted in both plain and corrugated tubes and it is found that the addition of these inserts increased the Nusselt number substantially. For Helically corrugated tube with lower pitch and maximum height of corrugation (pc = 8 mm, hc = 1 mm) with 0.2% volume concentration of nanoparticles, a maximum enhancement of 15% in Nusselt number is found without insert and with insert having lower pitch (pi = 30 mm) the enhancement is 34% when compared to DI water in plain tube. The results on friction factor show a maximum penalty of about 53.56% for the above HCT.

A Rigidity-Enhanced Antimicrobial Activity: A Case for Linear Cationic α-Helical Peptide HP(2–20) and Its Four Analogues

PubMed Central

Liu, Li; Fang, Ying; Huang, Qingsheng; Wu, Jianhua

2011-01-01

Linear cationic α-helical antimicrobial peptides are referred to as one of the most likely substitutes for common antibiotics, due to their relatively simple structures (≤40 residues) and various antimicrobial activities against a wide range of pathogens. Of those, HP(2–20) was isolated from Helicobacter pylori ribosomal protein. To reveal a mechanical determinant that may mediate the antimicrobial activities, we examined the mechanical properties and structural stabilities of HP(2–20) and its four analogues of same chain length by steered molecular dynamics simulation. The results indicated the following: the resistance of H-bonds to the tensile extension mediated the early extensive stage; with the loss of H-bonds, the tensile force was dispensed to prompt the conformational phase transition; and Young's moduli (N/m2) of the peptides were about 4∼8×109. These mechanical features were sensitive to the variation of the residue compositions. Furthermore, we found that the antimicrobial activity is rigidity-enhanced, that is, a harder peptide has stronger antimicrobial activity. It suggests that the molecular spring constant may be used to seek a new structure-activity relationship for different α-helical peptide groups. This exciting result was reasonably explained by a possible mechanical mechanism that regulates both the membrane pore formation and the peptide insertion. PMID:21283643

Computation of inverse magnetic cascades

NASA Technical Reports Server (NTRS)

Montgomery, D.

1981-01-01

Inverse cascades of magnetic quantities for turbulent incompressible magnetohydrodynamics are reviewed, for two and three dimensions. The theory is extended to the Strauss equations, a description intermediate between two and three dimensions appropriate to Tokamak magnetofluids. Consideration of the absolute equilibrium Gibbs ensemble for the system leads to a prediction of an inverse cascade of magnetic helicity, which may manifest itself as a major disruption. An agenda for computational investigation of this conjecture is proposed.

[Leonardo da Vinci the first human body imaging specialist. A brief communication on the thorax oseum images].

PubMed

Cicero, Raúl; Criales, José Luis; Cardoso, Manuel

2009-01-01

The impressive development of computed tomography (CT) techniques such as the three dimensional helical CT produces a spatial image of the thoracic skull. At the beginning of the 16th century Leonardo da Vinci drew with great precision the thorax oseum. These drawings show an outstanding similarity with the images obtained by three dimensional helical CT. The cumbersome task of the Renaissance genius is a prime example of the careful study of human anatomy. Modern imaging techniques require perfect anatomic knowledge of the human body in order to generate exact interpretations of images. Leonardo's example is alive for anybody devoted to modern imaging studies.

Helical water wires.

PubMed

Liboff, A R; Poggi, C; Pratesi, P

2017-01-01

A helitetrahedral model has been proposed to help explain reports of low-frequency oscillations in pure water following electromagnetic excitation at the hydronium ion cyclotron resonance frequency. The Lorentz force and the intrinsic structure constrain the motion of the H 3 O + ion so that it enjoys a unique form of proton-hopping, one whose path is helical. This model may also explain the numerous previously observed cyclotron resonance (ICR) biological couplings for cations other than hydronium by merely substituting hydrogen-bonded versions of these for hydronium in the tetrahedral structure. Thus the effectiveness of resonance stimulation in biological systems is explained in terms of the enhanced conductivity and reduced scattering associated with proton-hopping. It is further shown that the addition of charge-balancing hydroxyl ions act to enable oscillatory electric dipole moments that propagate along the helical axis, giving rise to weak power (≈ femtoWatts) radiation patterns. It is conceivable that the radiation associated with this process may play a role in the interactions at the interface between water and living matter.

Current drive by helicon waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paul, Manash Kumar; Bora, Dhiraj; ITER Organization, Cadarache Centre-building 519, 131008 St. Paul-Lez-Durance

2009-01-01

Helicity in the dynamo field components of helicon wave is examined during the novel study of wave induced helicity current drive. Strong poloidal asymmetry in the wave magnetic field components is observed during helicon discharges formed in a toroidal vacuum chamber of small aspect ratio. High frequency regime is chosen to increase the phase velocity of helicon waves which in turn minimizes the resonant wave-particle interactions and enhances the contribution of the nonresonant current drive mechanisms. Owing to the strong poloidal asymmetry in the wave magnetic field structures, plasma current is driven mostly by the dynamo-electric-field, which arise due tomore » the wave helicity injection by helicon waves. Small, yet finite contribution from the suppressed wave-particle resonance cannot be ruled out in the operational regime examined. A brief discussion on the parametric dependence of plasma current along with numerical estimations of nonresonant components is presented. A close agreement between the numerical estimation and measured plasma current magnitude is obtained during the present investigation.« less

Dynamic clustering of dynamin-amphiphysin helices regulates membrane constriction and fission coupled with GTP hydrolysis

PubMed Central

Kozai, Toshiya; Yang, Huiran; Ishikuro, Daiki; Seyama, Kaho; Kumagai, Yusuke; Abe, Tadashi; Yamada, Hiroshi; Uchihashi, Takayuki

2018-01-01

Dynamin is a mechanochemical GTPase essential for membrane fission during clathrin-mediated endocytosis. Dynamin forms helical complexes at the neck of clathrin-coated pits and their structural changes coupled with GTP hydrolysis drive membrane fission. Dynamin and its binding protein amphiphysin cooperatively regulate membrane remodeling during the fission, but its precise mechanism remains elusive. In this study, we analyzed structural changes of dynamin-amphiphysin complexes during the membrane fission using electron microscopy (EM) and high-speed atomic force microscopy (HS-AFM). Interestingly, HS-AFM analyses show that the dynamin-amphiphysin helices are rearranged to form clusters upon GTP hydrolysis and membrane constriction occurs at protein-uncoated regions flanking the clusters. We also show a novel function of amphiphysin in size control of the clusters to enhance biogenesis of endocytic vesicles. Our approaches using combination of EM and HS-AFM clearly demonstrate new mechanistic insights into the dynamics of dynamin-amphiphysin complexes during membrane fission. PMID:29357276

A Structural Framework for a Near-Minimal Form of Life: Mass and Compositional Analysis of the Helical Mollicute Spiroplasma melliferum BC3

PubMed Central

Trachtenberg, Shlomo; Schuck, Peter; Phillips, Terry M.; Andrews, S. Brian; Leapman, Richard D.

2014-01-01

Spiroplasma melliferum is a wall-less bacterium with dynamic helical geometry. This organism is geometrically well defined and internally well ordered, and has an exceedingly small genome. Individual cells are chemotactic, polar, and swim actively. Their dynamic helicity can be traced at the molecular level to a highly ordered linear motor (composed essentially of the proteins fib and MreB) that is positioned on a defined helical line along the internal face of the cell’s membrane. Using an array of complementary, informationally overlapping approaches, we have taken advantage of this uniquely simple, near-minimal life-form and its helical geometry to analyze the copy numbers of Spiroplasma’s essential parts, as well as to elucidate how these components are spatially organized to subserve the whole living cell. Scanning transmission electron microscopy (STEM) was used to measure the mass-per-length and mass-per-area of whole cells, membrane fractions, intact cytoskeletons and cytoskeletal components. These local data were fit into whole-cell geometric parameters determined by a variety of light microscopy modalities. Hydrodynamic data obtained by analytical ultracentrifugation allowed computation of the hydration state of whole living cells, for which the relative amounts of protein, lipid, carbohydrate, DNA, and RNA were also estimated analytically. Finally, ribosome and RNA content, genome size and gene expression were also estimated (using stereology, spectroscopy and 2D-gel analysis, respectively). Taken together, the results provide a general framework for a minimal inventory and arrangement of the major cellular components needed to support life. PMID:24586297

pH-directed self-assembling helical peptide conformation

USDA-ARS?s Scientific Manuscript database

The beta-sheet and alpha-helix peptide conformation are two of the most fundamentally ordered secondary structures found in proteins and peptides. They also give rise to self-assembling motifs that form macromolecular channels and nanostructures. Through design these conformations can yield enhance...

Comparative study of plant responses to carbon-based nanomaterials with different morphologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lahiani, Mohamed H.; Dervishi, Enkeleda; Ivanov, Ilia

The relationship between the morphology of carbon-based nanomaterials (CBNs) and the specific response of plants exposed to CBNs has not been studied systematically. Here, we prove that CBNs with different morphologies can activate cell growth, germination, and plant growth. A tobacco cell culture growth was found to increase by 22%–46% when CBNs such as helical multi-wall carbon nanotubes (MWCNTs), few-layered graphene, long MWCNTs, and short MWCNTs were added to the growth medium at a concentration of 50 μg ml –1. The germination of exposed tomato seeds, as well as the growth of exposed tomato seedlings, were significantly enhanced by themore » addition of all tested CBNs. The presence of CBNs inside exposed seeds was confirmed by transmission electron microscopy and Raman spectroscopy. The effects of helical MWCNTs on gene expression in tomato seeds and seedlings were investigated by microarray technology and real time-PCR. Helical MWCNTs affected a number of genes involved in cellular and metabolic processes and response to stress factors. It was shown that the expression of the tomato water channel gene in tomato seeds exposed to helical MWCNTs was upregulated. Furthermore, these established findings demonstrate that CBNs with different morphologies can cause the same biological effects and share similar mechanisms in planta.« less

Comparative study of plant responses to carbon-based nanomaterials with different morphologies

DOE PAGES

Lahiani, Mohamed H.; Dervishi, Enkeleda; Ivanov, Ilia; ...

2016-05-19

The relationship between the morphology of carbon-based nanomaterials (CBNs) and the specific response of plants exposed to CBNs has not been studied systematically. Here, we prove that CBNs with different morphologies can activate cell growth, germination, and plant growth. A tobacco cell culture growth was found to increase by 22%–46% when CBNs such as helical multi-wall carbon nanotubes (MWCNTs), few-layered graphene, long MWCNTs, and short MWCNTs were added to the growth medium at a concentration of 50 μg ml –1. The germination of exposed tomato seeds, as well as the growth of exposed tomato seedlings, were significantly enhanced by themore » addition of all tested CBNs. The presence of CBNs inside exposed seeds was confirmed by transmission electron microscopy and Raman spectroscopy. The effects of helical MWCNTs on gene expression in tomato seeds and seedlings were investigated by microarray technology and real time-PCR. Helical MWCNTs affected a number of genes involved in cellular and metabolic processes and response to stress factors. It was shown that the expression of the tomato water channel gene in tomato seeds exposed to helical MWCNTs was upregulated. Furthermore, these established findings demonstrate that CBNs with different morphologies can cause the same biological effects and share similar mechanisms in planta.« less

Comparative study of plant responses to carbon-based nanomaterials with different morphologies

NASA Astrophysics Data System (ADS)

Lahiani, Mohamed H.; Dervishi, Enkeleda; Ivanov, Ilia; Chen, Jihua; Khodakovskaya, Mariya

2016-07-01

The relationship between the morphology of carbon-based nanomaterials (CBNs) and the specific response of plants exposed to CBNs has not been studied systematically. Here, we prove that CBNs with different morphologies can activate cell growth, germination, and plant growth. A tobacco cell culture growth was found to increase by 22%-46% when CBNs such as helical multi-wall carbon nanotubes (MWCNTs), few-layered graphene, long MWCNTs, and short MWCNTs were added to the growth medium at a concentration of 50 μg ml-1. The germination of exposed tomato seeds, as well as the growth of exposed tomato seedlings, were significantly enhanced by the addition of all tested CBNs. The presence of CBNs inside exposed seeds was confirmed by transmission electron microscopy and Raman spectroscopy. The effects of helical MWCNTs on gene expression in tomato seeds and seedlings were investigated by microarray technology and real time-PCR. Helical MWCNTs affected a number of genes involved in cellular and metabolic processes and response to stress factors. It was shown that the expression of the tomato water channel gene in tomato seeds exposed to helical MWCNTs was upregulated. These established findings demonstrate that CBNs with different morphologies can cause the same biological effects and share similar mechanisms in planta.

Comparison of the diagnostic quality of computed tomography images of normal ocular and orbital structures acquired with and without the use of general anesthesia in the cat.

PubMed

Collins, Sean P; Matheson, Jodi S; Hamor, Ralph E; Mitchell, Mark A; Labelle, Amber L; O'Brien, Robert T

2013-09-01

To compare the diagnostic quality of computed tomography (CT) images of normal ocular and orbital structures acquired with and without the use of general anesthesia in the cat. Eleven privately owned cats with nasal disease presenting to a single referral hospital. All cats received a complete ophthalmic examination. A 16 multislice helical CT system was utilized to acquire images of the skull and neck with and without the use of general anesthesia. Images were acquired before and after the administration of intravenous iodinated contrast. Images of normal ocular and orbital structures were evaluated via consensus by two board-certified radiologists. Visibility of ocular and orbital structures, degree of motion, and streak artifact were assessed and scored for each image set in the transverse, dorsal, and sagittal planes. The use of general anesthesia did not significantly affect the diagnostic quality of images. No motion artifact was observed in any CT image. Streak artifact was significantly increased in scans performed in the transverse orientation but not in the dorsal orientation or sagittal orientation and did not affect the diagnostic quality of the images. Contrast enhancement did not significantly enhance the visibility of any ocular or orbital structures. Diagnostic CT images of normal ocular and orbital structures can be acquired without the use of general anesthesia in the cat. © 2012 American College of Veterinary Ophthalmologists.

Significant Enhancement of the Chiral Correlation Length in Nematic Liquid Crystals by Gold Nanoparticle Surfaces Featuring Axially Chiral Binaphthyl Ligands.

PubMed

Mori, Taizo; Sharma, Anshul; Hegmann, Torsten

2016-01-26

Chirality is a fundamental scientific concept best described by the absence of mirror symmetry and the inability to superimpose an object onto its mirror image by translation and rotation. Chirality is expressed at almost all molecular levels, from single molecules to supramolecular systems, and present virtually everywhere in nature. Here, to explore how chirality propagates from a chiral nanoscale surface, we study gold nanoparticles functionalized with axially chiral binaphthyl molecules. In particular, we synthesized three enantiomeric pairs of chiral ligand-capped gold nanoparticles differing in size, curvature, and ligand density to tune the chirality transfer from nanoscale solid surfaces to a bulk anisotropic liquid crystal medium. Ultimately, we are examining how far the chirality from a nanoparticle surface reaches into a bulk material. Circular dichroism spectra of the gold nanoparticles decorated with binaphthyl thiols confirmed that the binaphthyl moieties form a cisoid conformation in isotropic organic solvents. In the chiral nematic liquid crystal phase, induced by dispersing the gold nanoparticles into an achiral anisotropic nematic liquid crystal solvent, the binaphthyl moieties on the nanoparticle surface form a transoid conformation as determined by imaging the helical twist direction of the induced cholesteric phase. This suggests that the ligand density on the nanoscale metal surfaces provides a dynamic space to alter and adjust the helicity of binaphthyl derivatives in response to the ordering of the surrounding medium. The helical pitch values of the induced chiral nematic phase were determined, and the helical twisting power (HTP) of the chiral gold nanoparticles calculated to elucidate the chirality transfer efficiency of the binaphthyl ligand capped gold nanoparticles. Remarkably, the HTP increases with increasing diameter of the particles, that is, the efficiency of the chirality transfer of the binaphthyl units bound to the nanoparticle surface is diminished as the size of the particle is reduced. However, in comparison to the free ligands, per chiral molecule all tested gold nanoparticles induce helical distortions in a 10- to 50-fold larger number of liquid crystal host molecules surrounding each particle, indicating a significantly enhanced chiral correlation length. We propose that both the helicity and the chirality transfer efficiency of axially chiral binaphthyl derivatives can be controlled at metal nanoparticle surfaces by adjusting the particle size and curvature as well as the number and density of the chiral ligands to ultimately measure and tune the chiral correlation length.

Numerical Simulation of Subsonic and Transonic Propeller Flow. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Snyder, Aaron

1988-01-01

The numerical simulation of 3-D transonic flow about a system of propeller blades is investigated. In particular, it is shown that the use of helical coordinates significantly simplifies the form of the governing equation when the propeller system is assumed to be surrounded by an irrotational flow field of an inviscid fluid. The unsteady small disturbance equation, valid for lightly loaded blades and expressed in helical coordinates, is derived from the general blade-fixed potential equation, given for an arbitrary coordinate system. The use of a coordinate system which inherently adapts to the mean flow results in a disturbance equation requiring relatively few terms to accurately model the physics of the flow. Furthermore, the helical coordinate system presented here is novel in that it is periodic in the circumferential direction while, simultaneously, maintaining orthogonal properties at the mean blade locations. The periodic characteristic allows a complete cascade of blades to be treated, and the orthogonality property affords straightforward treatment of blade boundary conditions. An ADI numerical scheme is used to compute the solution of the steady flow as an asymptotic limit of an unsteady flow. As an example of the method, solutions are presented for subsonic and transonic flow about a 5 percent thick bicircular arc blade of an 8-bladed cascade. Both high and low advance ratio cases are computed and include a lifting as well as nonlifting cases. The nonlifting solutions obtained are compared to solutions from a Euler code.

Discrete Molecular Dynamics Can Predict Helical Prestructured Motifs in Disordered Proteins

PubMed Central

Han, Kyou-Hoon; Dokholyan, Nikolay V.; Tompa, Péter; Kalmár, Lajos; Hegedűs, Tamás

2014-01-01

Intrinsically disordered proteins (IDPs) lack a stable tertiary structure, but their short binding regions termed Pre-Structured Motifs (PreSMo) can form transient secondary structure elements in solution. Although disordered proteins are crucial in many biological processes and designing strategies to modulate their function is highly important, both experimental and computational tools to describe their conformational ensembles and the initial steps of folding are sparse. Here we report that discrete molecular dynamics (DMD) simulations combined with replica exchange (RX) method efficiently samples the conformational space and detects regions populating α-helical conformational states in disordered protein regions. While the available computational methods predict secondary structural propensities in IDPs based on the observation of protein-protein interactions, our ab initio method rests on physical principles of protein folding and dynamics. We show that RX-DMD predicts α-PreSMos with high confidence confirmed by comparison to experimental NMR data. Moreover, the method also can dissect α-PreSMos in close vicinity to each other and indicate helix stability. Importantly, simulations with disordered regions forming helices in X-ray structures of complexes indicate that a preformed helix is frequently the binding element itself, while in other cases it may have a role in initiating the binding process. Our results indicate that RX-DMD provides a breakthrough in the structural and dynamical characterization of disordered proteins by generating the structural ensembles of IDPs even when experimental data are not available. PMID:24763499

Efficient Exploration of Membrane-Associated Phenomena at Atomic Resolution.

PubMed

Vermaas, Josh V; Baylon, Javier L; Arcario, Mark J; Muller, Melanie P; Wu, Zhe; Pogorelov, Taras V; Tajkhorshid, Emad

2015-06-01

Biological membranes constitute a critical component in all living cells. In addition to providing a conducive environment to a wide range of cellular processes, including transport and signaling, mounting evidence has established active participation of specific lipids in modulating membrane protein function through various mechanisms. Understanding lipid-protein interactions underlying these mechanisms at a sufficiently high resolution has proven extremely challenging, partly due to the semi-fluid nature of the membrane. In order to address this challenge computationally, multiple methods have been developed, including an alternative membrane representation termed highly mobile membrane mimetic (HMMM) in which lateral lipid diffusion has been significantly enhanced without compromising atomic details. The model allows for efficient sampling of lipid-protein interactions at atomic resolution, thereby significantly enhancing the effectiveness of molecular dynamics simulations in capturing membrane-associated phenomena. In this review, after providing an overview of HMMM model development, we will describe briefly successful application of the model to study a variety of membrane processes, including lipid-dependent binding and insertion of peripheral proteins, the mechanism of phospholipid insertion into lipid bilayers, and characterization of optimal tilt angle of transmembrane helices. We conclude with practical recommendations for proper usage of the model in simulation studies of membrane processes.

Requirements on paramagnetic relaxation enhancement data for membrane protein structure determination by NMR.

PubMed

Gottstein, Daniel; Reckel, Sina; Dötsch, Volker; Güntert, Peter

2012-06-06

Nuclear magnetic resonance (NMR) structure calculations of the α-helical integral membrane proteins DsbB, GlpG, and halorhodopsin show that distance restraints from paramagnetic relaxation enhancement (PRE) can provide sufficient structural information to determine their structure with an accuracy of about 1.5 Å in the absence of other long-range conformational restraints. Our systematic study with simulated NMR data shows that about one spin label per transmembrane helix is necessary for obtaining enough PRE distance restraints to exclude wrong topologies, such as pseudo mirror images, if only limited other NMR restraints are available. Consequently, an experimentally realistic amount of PRE data enables α-helical membrane protein structure determinations that would not be feasible with the very limited amount of conventional NOESY data normally available for these systems. These findings are in line with our recent first de novo NMR structure determination of a heptahelical integral membrane protein, proteorhodopsin, that relied extensively on PRE data. Copyright © 2012 Elsevier Ltd. All rights reserved.

Optical activity of helical quantum-dot supercrystals

NASA Astrophysics Data System (ADS)

Baimuratov, A. S.; Tepliakov, N. V.; Gun'ko, Yu. K.; Baranov, A. V.; Federov, A. V.; Rukhlenko, I. D.

2017-01-01

The size of chiral nanoparticles is much smaller than the optical wavelength. As a result, the difference in interaction of enantiomers with circularly polarized light of different handedness is practically unobservable. Due to the large mismatch in scale, the problem of enhancement of enantioselectivity of optical properties of nanoparticles is particularly important for modern photonics. In this work, we show that ordering of achiral nanoparticles into a chiral supercrystal with dimensions comparable to the wavelength of light allows achieving nearly total dissymmetry of optical absorption and demonstrate this using a helical super-crystal made of semiconductor quantum dots as an example. The proposed approach may find numerous applications in various optical and analytical methods used in biomedicine, chemistry, and pharmacology.

WE-G-18A-06: Sinogram Restoration in Helical Cone-Beam CT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Little, K; Riviere, P La

2014-06-15

Purpose: To extend CT sinogram restoration, which has been shown in 2D to reduce noise and to correct for geometric effects and other degradations at a low computational cost, from 2D to a 3D helical cone-beam geometry. Methods: A method for calculating sinogram degradation coefficients for a helical cone-beam geometry was proposed. These values were used to perform penalized-likelihood sinogram restoration on simulated data that were generated from the FORBILD thorax phantom. Sinogram restorations were performed using both a quadratic penalty and the edge-preserving Huber penalty. After sinogram restoration, Fourier-based analytical methods were used to obtain reconstructions. Resolution-variance trade-offs weremore » investigated for several locations within the reconstructions for the purpose of comparing sinogram restoration to no restoration. In order to compare potential differences, reconstructions were performed using different groups of neighbors in the penalty, two analytical reconstruction methods (Katsevich and single-slice rebinning), and differing helical pitches. Results: The resolution-variance properties of reconstructions restored using sinogram restoration with a Huber penalty outperformed those of reconstructions with no restoration. However, the use of a quadratic sinogram restoration penalty did not lead to an improvement over performing no restoration at the outer regions of the phantom. Application of the Huber penalty to neighbors both within a view and across views did not perform as well as only applying the penalty to neighbors within a view. General improvements in resolution-variance properties using sinogram restoration with the Huber penalty were not dependent on the reconstruction method used or the magnitude of the helical pitch. Conclusion: Sinogram restoration for noise and degradation effects for helical cone-beam CT is feasible and should be able to be applied to clinical data. When applied with the edge-preserving Huber penalty, sinogram restoration leads to an improvement in resolution-variance tradeoffs.« less

FtsZ rings and helices: physical mechanisms for the dynamic alignment of biopolymers in rod-shaped bacteria.

PubMed

Fischer-Friedrich, Elisabeth; Friedrich, Benjamin M; Gov, Nir S

2012-02-01

In many bacterial species, the protein FtsZ forms a cytoskeletal ring that marks the future division site and scaffolds the division machinery. In rod-shaped bacteria, most frequently membrane-attached FtsZ rings or ring fragments are reported and occasionally helices. By contrast, axial FtsZ clusters have never been reported. In this paper, we investigate theoretically how dynamic FtsZ aggregates align in rod-shaped bacteria. We study systematically different physical mechanisms that affect the alignment of FtsZ polymers using a computational model that relies on autocatalytic aggregation of FtsZ filaments at the membrane. Our study identifies a general tool kit of physical and geometrical mechanisms by which rod-shaped cells align biopolymer aggregates. Our analysis compares the relative impact of each mechanism on the circumferential alignment of FtsZ as observed in rod-shaped bacteria. We determine spontaneous curvature of FtsZ polymers and axial confinement of FtsZ on the membrane as the strongest factors. Including Min oscillations in our model, we find that these stabilize axial and helical clusters on short time scales, but promote the formation of an FtsZ ring at the cell middle at longer times. This effect could provide an explanation to the long standing puzzle of transiently observed oscillating FtsZ helices in Escherichia coli cells prior to cell division.

RNAHelix: computational modeling of nucleic acid structures with Watson-Crick and non-canonical base pairs.

PubMed

Bhattacharyya, Dhananjay; Halder, Sukanya; Basu, Sankar; Mukherjee, Debasish; Kumar, Prasun; Bansal, Manju

2017-02-01

Comprehensive analyses of structural features of non-canonical base pairs within a nucleic acid double helix are limited by the availability of a small number of three dimensional structures. Therefore, a procedure for model building of double helices containing any given nucleotide sequence and base pairing information, either canonical or non-canonical, is seriously needed. Here we describe a program RNAHelix, which is an updated version of our widely used software, NUCGEN. The program can regenerate duplexes using the dinucleotide step and base pair orientation parameters for a given double helical DNA or RNA sequence with defined Watson-Crick or non-Watson-Crick base pairs. The original structure and the corresponding regenerated structure of double helices were found to be very close, as indicated by the small RMSD values between positions of the corresponding atoms. Structures of several usual and unusual double helices have been regenerated and compared with their original structures in terms of base pair RMSD, torsion angles and electrostatic potentials and very high agreements have been noted. RNAHelix can also be used to generate a structure with a sequence completely different from an experimentally determined one or to introduce single to multiple mutation, but with the same set of parameters and hence can also be an important tool in homology modeling and study of mutation induced structural changes.

Contractile and chiral activities codetermine the helicity of swimming droplet trajectories

NASA Astrophysics Data System (ADS)

Tjhung, Elsen; Cates, Michael E.; Marenduzzo, Davide

2017-05-01

Active fluids are a class of nonequilibrium systems where energy is injected into the system continuously by the constituent particles themselves. Many examples, such as bacterial suspensions and actomyosin networks, are intrinsically chiral at a local scale, so that their activity involves torque dipoles alongside the force dipoles usually considered. Although many aspects of active fluids have been studied, the effects of chirality on them are much less known. Here, we study by computer simulation the dynamics of an unstructured droplet of chiral active fluid in three dimensions. Our model considers only the simplest possible combination of chiral and achiral active stresses, yet this leads to an unprecedented range of complex motilities, including oscillatory swimming, helical swimming, and run-and-tumble motion. Strikingly, whereas the chirality of helical swimming is the same as the microscopic chirality of torque dipoles in one regime, the two are opposite in another. Some of the features of these motility modes resemble those of some single-celled protozoa, suggesting that underlying mechanisms may be shared by some biological systems and synthetic active droplets.

Nonhelical inverse transfer of a decaying turbulent magnetic field.

PubMed

Brandenburg, Axel; Kahniashvili, Tina; Tevzadze, Alexander G

2015-02-20

In the presence of magnetic helicity, inverse transfer from small to large scales is well known in magnetohydrodynamic (MHD) turbulence and has applications in astrophysics, cosmology, and fusion plasmas. Using high resolution direct numerical simulations of magnetically dominated self-similarly decaying MHD turbulence, we report a similar inverse transfer even in the absence of magnetic helicity. We compute for the first time spectral energy transfer rates to show that this inverse transfer is about half as strong as with helicity, but in both cases the magnetic gain at large scales results from velocity at similar scales interacting with smaller-scale magnetic fields. This suggests that both inverse transfers are a consequence of universal mechanisms for magnetically dominated turbulence. Possible explanations include inverse cascading of the mean squared vector potential associated with local near two dimensionality and the shallower k^{2} subinertial range spectrum of kinetic energy forcing the magnetic field with a k^{4} subinertial range to attain larger-scale coherence. The inertial range shows a clear k^{-2} spectrum and is the first example of fully isotropic magnetically dominated MHD turbulence exhibiting weak turbulence scaling.

Optimization of chiral structures for microscale propulsion.

PubMed

Keaveny, Eric E; Walker, Shawn W; Shelley, Michael J

2013-02-13

Recent advances in micro- and nanoscale fabrication techniques allow for the construction of rigid, helically shaped microswimmers that can be actuated using applied magnetic fields. These swimmers represent the first steps toward the development of microrobots for targeted drug delivery and minimally invasive surgical procedures. To assess the performance of these devices and improve on their design, we perform shape optimization computations to determine swimmer geometries that maximize speed in the direction of a given applied magnetic torque. We directly assess aspects of swimmer shapes that have been developed in previous experimental studies, including helical propellers with elongated cross sections and attached payloads. From these optimizations, we identify key improvements to existing designs that result in swimming speeds that are 70-470% of their original values.

An Experimental Apparatus to Study Enhanced Condensation Heat Transfer of Steam on Horizontal Tubes.

DTIC Science & Technology

1982-06-01

6-inches in diam- eter and 18-inches long and provides for condensing all excess steam. Two helically wound -oils of 3/8-inch copper tubing,- one 5 1...ml--13E lmoI EE EEEM NAVAL POSTGRADUATE SCHOOL Monterey, California SP27 1982 F THESIS AN EXPERIMENTAL APPARATUS TO STUDY ENHANCED CONDENSATION HEAT...Enhanced Condensation Heat Transfer June 1982 of Steam on Horizontal. Tubes & 081OWN ow,. NeWOormueT -. AUT@,a~4. CONTRACT ORt GOAMT NtUpMORA~e Raymond

Detection of terahertz radiation in metamaterials: giant plasmonic ratchet effect (Conference Presentation)

NASA Astrophysics Data System (ADS)

Rudin, Sergey; Rupper, Greg; Kachorovski, Valentin; Shur, Michael S.

2017-05-01

The electromagnetic wave impinging on the spatially modulated two-dimensional electron liquid (2DEL) induces a direct current (DC) when the wave amplitude modulated with the same wave vector as the 2DEL but is shifted in phase (the ratchet effect). The recent theory of this phenomenon predicted a dramatic enhancement at the plasmonic resonances and a non-trivial polarization dependence [1]. We will present the results of the numerical simulations using a hydrodynamic model exploring the helicity dependence of the DC current for silicon, InGaAs, and GaN metamaterial structures at cryogenic and room temperatures. In particular we will report on the effect of the DEL viscosity and explore the nonlinear effects at large amplitudes of the helical electromagnetic radiation impinging on the ratchet structures. We will then discuss the applications of the ratchet effect for terahertz metamaterials in order to realize ultra-sensitive terahertz (THz) radiation detectors, modulators, phase shifters, and delay lines with cross sections matching the terahertz wavelength and capable of determining the electromagnetic wave polarization and helicity. To this end, we propose and analyze the four contact ratchet devices capable of registering the two perpendicular components of the electric currents induced by the elliptically or circularly polarized radiation and analyze the load impedance effects in the structures optimized for the ratchet metamaterial THz components. The analysis is based on the hydrodynamic model suitable for the multi-gated semiconductor structures, coupled self-consistently with Poisson's equation for the electric potential. The model accounts for the effects of pressure gradients and 2DEL viscosity. Our numerical solutions are applicable to the wide ranges of electron mobility and terahertz power. [1] I. V. Rozhansky, V. Yu. Kachorovskii, and M. S. Shur, Helicity-Driven Ratchet Effect Enhanced by Plasmons, Phys. Rev. Lett. 114, 246601, 15 June 2015

Optimization of Operation Parameters for Helical Flow Cleanout with Supercritical CO2 in Horizontal Wells Using Back-Propagation Artificial Neural Network.

PubMed

Song, Xianzhi; Peng, Chi; Li, Gensheng; He, Zhenguo; Wang, Haizhu

2016-01-01

Sand production and blockage are common during the drilling and production of horizontal oil and gas wells as a result of formation breakdown. The use of high-pressure rotating jets and annular helical flow is an effective way to enhance horizontal wellbore cleanout. In this paper, we propose the idea of using supercritical CO2 (SC-CO2) as washing fluid in water-sensitive formation. SC-CO2 is manifested to be effective in preventing formation damage and enhancing production rate as drilling fluid, which justifies tis potential in wellbore cleanout. In order to investigate the effectiveness of SC-CO2 helical flow cleanout, we perform the numerical study on the annular flow field, which significantly affects sand cleanout efficiency, of SC-CO2 jets in horizontal wellbore. Based on the field data, the geometry model and mathematical models were built. Then a numerical simulation of the annular helical flow field by SC-CO2 jets was accomplished. The influences of several key parameters were investigated, and SC-CO2 jets were compared to conventional water jets. The results show that flow rate, ambient temperature, jet temperature, and nozzle assemblies play the most important roles on wellbore flow field. Once the difference between ambient temperatures and jet temperatures is kept constant, the wellbore velocity distributions will not change. With increasing lateral nozzle size or decreasing rear/forward nozzle size, suspending ability of SC-CO2 flow improves obviously. A back-propagation artificial neural network (BP-ANN) was successfully employed to match the operation parameters and SC-CO2 flow velocities. A comprehensive model was achieved to optimize the operation parameters according to two strategies: cost-saving strategy and local optimal strategy. This paper can help to understand the distinct characteristics of SC-CO2 flow. And it is the first time that the BP-ANN is introduced to analyze the flow field during wellbore cleanout in horizontal wells.

Optimization of Operation Parameters for Helical Flow Cleanout with Supercritical CO2 in Horizontal Wells Using Back-Propagation Artificial Neural Network

PubMed Central

Song, Xianzhi; Peng, Chi; Li, Gensheng

2016-01-01

Sand production and blockage are common during the drilling and production of horizontal oil and gas wells as a result of formation breakdown. The use of high-pressure rotating jets and annular helical flow is an effective way to enhance horizontal wellbore cleanout. In this paper, we propose the idea of using supercritical CO2 (SC-CO2) as washing fluid in water-sensitive formation. SC-CO2 is manifested to be effective in preventing formation damage and enhancing production rate as drilling fluid, which justifies tis potential in wellbore cleanout. In order to investigate the effectiveness of SC-CO2 helical flow cleanout, we perform the numerical study on the annular flow field, which significantly affects sand cleanout efficiency, of SC-CO2 jets in horizontal wellbore. Based on the field data, the geometry model and mathematical models were built. Then a numerical simulation of the annular helical flow field by SC-CO2 jets was accomplished. The influences of several key parameters were investigated, and SC-CO2 jets were compared to conventional water jets. The results show that flow rate, ambient temperature, jet temperature, and nozzle assemblies play the most important roles on wellbore flow field. Once the difference between ambient temperatures and jet temperatures is kept constant, the wellbore velocity distributions will not change. With increasing lateral nozzle size or decreasing rear/forward nozzle size, suspending ability of SC-CO2 flow improves obviously. A back-propagation artificial neural network (BP-ANN) was successfully employed to match the operation parameters and SC-CO2 flow velocities. A comprehensive model was achieved to optimize the operation parameters according to two strategies: cost-saving strategy and local optimal strategy. This paper can help to understand the distinct characteristics of SC-CO2 flow. And it is the first time that the BP-ANN is introduced to analyze the flow field during wellbore cleanout in horizontal wells. PMID:27249026

A BPF-FBP tandem algorithm for image reconstruction in reverse helical cone-beam CT

PubMed Central

Cho, Seungryong; Xia, Dan; Pellizzari, Charles A.; Pan, Xiaochuan

2010-01-01

Purpose: Reverse helical cone-beam computed tomography (CBCT) is a scanning configuration for potential applications in image-guided radiation therapy in which an accurate anatomic image of the patient is needed for image-guidance procedures. The authors previously developed an algorithm for image reconstruction from nontruncated data of an object that is completely within the reverse helix. The purpose of this work is to develop an image reconstruction approach for reverse helical CBCT of a long object that extends out of the reverse helix and therefore constitutes data truncation. Methods: The proposed approach comprises of two reconstruction steps. In the first step, a chord-based backprojection-filtration (BPF) algorithm reconstructs a volumetric image of an object from the original cone-beam data. Because there exists a chordless region in the middle of the reverse helix, the image obtained in the first step contains an unreconstructed central-gap region. In the second step, the gap region is reconstructed by use of a Pack–Noo-formula-based filteredbackprojection (FBP) algorithm from the modified cone-beam data obtained by subtracting from the original cone-beam data the reprojection of the image reconstructed in the first step. Results: The authors have performed numerical studies to validate the proposed approach in image reconstruction from reverse helical cone-beam data. The results confirm that the proposed approach can reconstruct accurate images of a long object without suffering from data-truncation artifacts or cone-angle artifacts. Conclusions: They developed and validated a BPF-FBP tandem algorithm to reconstruct images of a long object from reverse helical cone-beam data. The chord-based BPF algorithm was utilized for converting the long-object problem into a short-object problem. The proposed approach is applicable to other scanning configurations such as reduced circular sinusoidal trajectories. PMID:20175463

A BPF-FBP tandem algorithm for image reconstruction in reverse helical cone-beam CT.

PubMed

Cho, Seungryong; Xia, Dan; Pellizzari, Charles A; Pan, Xiaochuan

2010-01-01

Reverse helical cone-beam computed tomography (CBCT) is a scanning configuration for potential applications in image-guided radiation therapy in which an accurate anatomic image of the patient is needed for image-guidance procedures. The authors previously developed an algorithm for image reconstruction from nontruncated data of an object that is completely within the reverse helix. The purpose of this work is to develop an image reconstruction approach for reverse helical CBCT of a long object that extends out of the reverse helix and therefore constitutes data truncation. The proposed approach comprises of two reconstruction steps. In the first step, a chord-based backprojection-filtration (BPF) algorithm reconstructs a volumetric image of an object from the original cone-beam data. Because there exists a chordless region in the middle of the reverse helix, the image obtained in the first step contains an unreconstructed central-gap region. In the second step, the gap region is reconstructed by use of a Pack-Noo-formula-based filteredback-projection (FBP) algorithm from the modified cone-beam data obtained by subtracting from the original cone-beam data the reprojection of the image reconstructed in the first step. The authors have performed numerical studies to validate the proposed approach in image reconstruction from reverse helical cone-beam data. The results confirm that the proposed approach can reconstruct accurate images of a long object without suffering from data-truncation artifacts or cone-angle artifacts. They developed and validated a BPF-FBP tandem algorithm to reconstruct images of a long object from reverse helical cone-beam data. The chord-based BPF algorithm was utilized for converting the long-object problem into a short-object problem. The proposed approach is applicable to other scanning configurations such as reduced circular sinusoidal trajectories.

High regression rate hybrid rocket fuel grains with helical port structures

NASA Astrophysics Data System (ADS)

Walker, Sean D.

Hybrid rockets are popular in the aerospace industry due to their storage safety, simplicity, and controllability during rocket motor burn. However, they produce fuel regression rates typically 25% lower than solid fuel motors of the same thrust level. These lowered regression rates produce unacceptably high oxidizer-to-fuel (O/F) ratios that produce a potential for motor instability, nozzle erosion, and reduced motor duty cycles. To achieve O/F ratios that produce acceptable combustion characteristics, traditional cylindrical fuel ports are fabricated with very long length-to-diameter ratios to increase the total burning area. These high aspect ratios produce further reduced fuel regression rate and thrust levels, poor volumetric efficiency, and a potential for lateral structural loading issues during high thrust burns. In place of traditional cylindrical fuel ports, it is proposed that by researching the effects of centrifugal flow patterns introduced by embedded helical fuel port structures, a significant increase in fuel regression rates can be observed. The benefits of increasing volumetric efficiencies by lengthening the internal flow path will also be observed. The mechanisms of this increased fuel regression rate are driven by enhancing surface skin friction and reducing the effect of boundary layer "blowing" to enhance convective heat transfer to the fuel surface. Preliminary results using additive manufacturing to fabricate hybrid rocket fuel grains from acrylonitrile-butadiene-styrene (ABS) with embedded helical fuel port structures have been obtained, with burn-rate amplifications up to 3.0x than that of cylindrical fuel ports.

Experimental investigation of heat transfer and pressure drop characteristics of non-Newtonian nanofluids flowing in the shell-side of a helical baffle heat exchanger with low-finned tubes

NASA Astrophysics Data System (ADS)

Tan, Yunkai; He, Zhenbin; Xu, Tao; Fang, Xiaoming; Gao, Xuenong; Zhang, Zhengguo

2017-09-01

An aqueous solution of Xanthan Gum (XG) at a weight fraction as high as 0.2% was used as the base liquid, the stable MWCNTs-dispersed non-Newtonian nanofluids at different weight factions of MWCNTs was prepared. The base fluid and all nanofluids show pseudoplastic (shear-thinning) rheological behavior. Experiments were performed to compare the shell-side forced convective heat transfer coefficient and pressure drop of non-Newtonian nanofluids to those of non-Newtonian base fluid in an integrally helical baffle heat exchanger with low-finned tubes. The experimental results showed that the enhancement of the convective heat transfer coefficient increases with an increase in the Peclet number and the nanoparticle concentration. For nanofluids with 1.0, 0.5 and 0.2 wt% of multi-walled carbon nanotubes (MWCNTs), the heat transfer coefficients respectively augmented by 24.3, 13.2 and 4.7% on average and the pressure drops become larger than those of the base fluid. The comprehensive thermal performance factor is higher than one and increases with an increasing weight fraction of MWCNTs. A remarkable heat transfer enhancement in the shell side of helical baffle heat exchanger with low-finned tubes can be obtained by adding MWCNTs into XG aqueous solution based on thermal resistance analysis. New correlations have been suggested for the shell-side friction coefficient and the Nusselt numbers of non-Newtonian nanofluids and give very good agreement with experimental data.

Structural analysis of a class III preQ1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics

PubMed Central

Liberman, Joseph A.; Suddala, Krishna C.; Aytenfisu, Asaminew; Chan, Dalen; Belashov, Ivan A.; Salim, Mohammad; Mathews, David H.; Spitale, Robert C.; Walter, Nils G.; Wedekind, Joseph E.

2015-01-01

PreQ1-III riboswitches are newly identified RNA elements that control bacterial genes in response to preQ1 (7-aminomethyl-7-deazaguanine), a precursor to the essential hypermodified tRNA base queuosine. Although numerous riboswitches fold as H-type or HLout-type pseudoknots that integrate ligand-binding and regulatory sequences within a single folded domain, the preQ1-III riboswitch aptamer forms a HLout-type pseudoknot that does not appear to incorporate its ribosome-binding site (RBS). To understand how this unusual organization confers function, we determined the crystal structure of the class III preQ1 riboswitch from Faecalibacterium prausnitzii at 2.75 Å resolution. PreQ1 binds tightly (KD,app 6.5 ± 0.5 nM) between helices P1 and P2 of a three-way helical junction wherein the third helix, P4, projects orthogonally from the ligand-binding pocket, exposing its stem-loop to base pair with the 3′ RBS. Biochemical analysis, computational modeling, and single-molecule FRET imaging demonstrated that preQ1 enhances P4 reorientation toward P1–P2, promoting a partially nested, H-type pseudoknot in which the RBS undergoes rapid docking (kdock ∼0.6 s−1) and undocking (kundock ∼1.1 s−1). Discovery of such dynamic conformational switching provides insight into how a riboswitch with bipartite architecture uses dynamics to modulate expression platform accessibility, thus expanding the known repertoire of gene control strategies used by regulatory RNAs. PMID:26106162

The Impact of New Electronic Imaging Systems on U.S. Air Force Visual Information Professionals.

DTIC Science & Technology

1993-06-01

modernizing the functions left in their control. This process started by converting combat camera assets from 16mm film to Betacam "camcorder’ systems. Combat...upgraded to computer-controlled editing with 1-inch helical machines or component-video Betacam equipment. For the base visual information centers, new

Computed tomographic anatomy of the nasal cavity, paranasal sinuses and tympanic cavity of the koala.

PubMed

Hemsley, S; Palmer, H; Canfield, R B; Stewart, M E B; Krockenberger, M B; Malik, R

2013-09-01

To use cross-sectional imaging (helical computed tomography (CT)) combined with conventional anatomical dissection to define the normal anatomy of the nasal cavity and bony cavitations of the koala skull. Helical CT scans of the heads of nine adult animals were obtained using a multislice scanner acquiring thin slices reconstructed in the transverse, sagittal and dorsal planes. Subsequent anatomical dissection permitted confirmation of correct identification and further delineation of bony and air-filled structures visible in axial and multiplanar reformatted CT images. The nasal cavity was relatively simple, with little scrolling of nasal conchae, but bony cavitations were complex and extensive. A rostral maxillary recess and ventral conchal, caudal maxillary, frontal and sphenoidal paranasal sinuses were identified and characterised. Extensive temporal bone cavitation was shown to be related to a large epitympanic recess. The detailed anatomical data provided are applicable to future functional and comparative anatomical studies, as well as providing a preliminary atlas for clinical investigation of conditions such as cryptococcal rhinosinusitis, a condition more common in the koala than in many other species. © 2013 Australian Veterinary Association.

Volumetric analysis of maxillary sinuses of Zulu and European crania by helical, multislice computed tomography.

PubMed

Fernandes, C L

2004-11-01

The volumes of the maxillary sinuses are of interest to surgeons operating endoscopically as variation in maxillary sinus volume may mean variation in anatomical landmarks. Other surgical disciplines, such as dentistry, maxillo-facial surgery and plastic surgery, may benefit from this information. To compare the maxillary sinus volumes of dried crania from cadavers of European and Zulu descent, with respect to ethnic group and gender. Helical, multislice computed tomography (CT) was performed using 1-mm coronal slices. The area for each slice was obtained by tracing the outline of each slice. The CT machine calculated a volume by totalling the slices for each sinus. Ethnic and gender variations were found in the different groups. It was found that European crania had significantly larger antral volumes than Zulu crania and men had larger volumes than women. Race and gender interaction was also assessed, as was maxillary sinus side. A variation in maxillary sinus volume between different ethnic groups and genders exists, and surgeons operating in this region should be aware of this.

RF Antenna Design for a Helicon Plasma Source

NASA Astrophysics Data System (ADS)

Godden, Katarina; Stassel, Brendan; Warta, Daniel; Yep, Isaac; Hicks, Nathaniel; Munk, Jens

2017-10-01

A helicon plasma source is under development for the new Plasma Science and Engineering Laboratory at the University of Alaska Anchorage. The helicon source is of a type comprising Pyrex and stainless steel cylindrical sections, joined to an ultrahigh vacuum chamber. A radio frequency (RF) helical antenna surrounds the Pyrex chamber, as well as DC solenoidal magnetic field coils. This presentation focuses on the design of the RF helical antenna and RF matching network, such that helicon wave power is coupled to argon plasma with minimal reflected power to the RF amplifier. The amplifier output is selectable between 2-30 MHz, with forward c.w. power up to 1.5 kW. Details and computer simulation of the antenna geometry, materials, and power matching will be presented, as well as the matching network of RF transmission line, tuning capacitors, and cooling system. An initial computational study of power coupling to the plasma will also be described. Supported by U.S. NSF/DOE Partnership in Basic Plasma Science and Engineering Grant PHY-1619615, by the Alaska Space Grant Program, and by UAA Innovate 2017.

Conformational Preference of ‘CαNN’ Short Peptide Motif towards Recognition of Anions

PubMed Central

Banerjee, Raja

2013-01-01

Among several ‘anion binding motifs’, the recently described ‘CαNN’ motif occurring in the loop regions preceding a helix, is conserved through evolution both in sequence and its conformation. To establish the significance of the conserved sequence and their intrinsic affinity for anions, a series of peptides containing the naturally occurring ‘CαNN’ motif at the N-terminus of a designed helix, have been modeled and studied in a context free system using computational techniques. Appearance of a single interacting site with negative binding free-energy for both the sulfate and phosphate ions, as evidenced in docking experiments, establishes that the ‘CαNN’ segment has an intrinsic affinity for anions. Molecular Dynamics (MD) simulation studies reveal that interaction with anion triggers a conformational switch from non-helical to helical state at the ‘CαNN’ segment, which extends the length of the anchoring-helix by one turn at the N-terminus. Computational experiments substantiate the significance of sequence/structural context and justify the conserved nature of the ‘CαNN’ sequence for anion recognition through “local” interaction. PMID:23516403

A hybrid deterministic-probabilistic approach to model the mechanical response of helically arranged hierarchical strands

NASA Astrophysics Data System (ADS)

Fraldi, M.; Perrella, G.; Ciervo, M.; Bosia, F.; Pugno, N. M.

2017-09-01

Very recently, a Weibull-based probabilistic strategy has been successfully applied to bundles of wires to determine their overall stress-strain behaviour, also capturing previously unpredicted nonlinear and post-elastic features of hierarchical strands. This approach is based on the so-called "Equal Load Sharing (ELS)" hypothesis by virtue of which, when a wire breaks, the load acting on the strand is homogeneously redistributed among the surviving wires. Despite the overall effectiveness of the method, some discrepancies between theoretical predictions and in silico Finite Element-based simulations or experimental findings might arise when more complex structures are analysed, e.g. helically arranged bundles. To overcome these limitations, an enhanced hybrid approach is proposed in which the probability of rupture is combined with a deterministic mechanical model of a strand constituted by helically-arranged and hierarchically-organized wires. The analytical model is validated comparing its predictions with both Finite Element simulations and experimental tests. The results show that generalized stress-strain responses - incorporating tension/torsion coupling - are naturally found and, once one or more elements break, the competition between geometry and mechanics of the strand microstructure, i.e. the different cross sections and helical angles of the wires in the different hierarchical levels of the strand, determines the no longer homogeneous stress redistribution among the surviving wires whose fate is hence governed by a "Hierarchical Load Sharing" criterion.

Plasma Science and Innovation Center at Washington, Wisconsin, and Utah State: Final Scientific Report for the University of Wisconsin-Madison

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sovinec, Carl R.

The University of Wisconsin-Madison component of the Plasma Science and Innovation Center (PSI Center) contributed to modeling capabilities and algorithmic efficiency of the Non-Ideal Magnetohydrodynamics with Rotation (NIMROD) Code, which is widely used to model macroscopic dynamics of magnetically confined plasma. It also contributed to the understanding of direct-current (DC) injection of electrical current for initiating and sustaining plasma in three spherical torus experiments: the Helicity Injected Torus-II (HIT-II), the Pegasus Toroidal Experiment, and the National Spherical Torus Experiment (NSTX). The effort was funded through the PSI Center's cooperative agreement with the University of Washington and Utah State University overmore » the period of March 1, 2005 - August 31, 2016. In addition to the computational and physics accomplishments, the Wisconsin effort contributed to the professional education of four graduate students and two postdoctoral research associates. The modeling for HIT-II and Pegasus was directly supported by the cooperative agreement, and contributions to the NSTX modeling were in support of work by Dr. Bickford Hooper, who was funded through a separate grant. Our primary contribution to model development is the implementation of detailed closure relations for collisional plasma. Postdoctoral associate Adam Bayliss implemented the temperature-dependent effects of Braginskii's parallel collisional ion viscosity. As a graduate student, John O'Bryan added runtime options for Braginskii's models and Ji's K2 models of thermal conduction with magnetization effects and thermal equilibration. As a postdoctoral associate, O'Bryan added the magnetization effects for ion viscosity. Another area of model development completed through the PSI-Center is the implementation of Chodura's phenomenological resistivity model. Finally, we investigated and tested linear electron parallel viscosity, leveraged by support from the Center for Extended Magnetohydrodynamic Modeling (CEMM). Work on algorithmic efficiency improved NIMROD's element-based computations. We reordered arrays and eliminated a level of looping for computations over the data points that are used for numerical integration over elements. Moreover, the reordering allows fewer and larger communication calls when using distributed-memory parallel computation, thereby avoiding a data starvation problem that limited parallel scaling over NIMROD's Fourier components for the periodic coordinate. Together with improved parallel preconditioning, work that was supported by CEMM, these developments allowed NIMROD's first scaling to over 10,000 processor cores. Another algorithm improvement supported by the PSI Center is nonlinear numerical diffusivities for implicit advection. We also developed the Stitch code to enhance the flexibility of NIMROD's preprocessing. Our simulations of HIT-II considered conditions with and without fluctuation-induced amplification of poloidal flux, but our validation efforts focused on conditions without amplification. A significant finding is that NIMROD reproduces the dependence of net plasma current as the imposed poloidal flux is varied. The modeling of Pegasus startup from localized DC injectors predicted that development of a tokamak-like configuration occurs through a sequence of current-filament merger events. Comparison of experimentally measured and numerically computed cross-power spectra enhance confidence in NIMROD's simulation of magnetic fluctuations; however, energy confinement remains an open area for further research. Our contributions to the NSTX study include adaptation of the helicity-injection boundary conditions from the HIT-II simulations and support for linear analysis and computation of 3D current-driven instabilities.« less

Advances in helical stent design and fabrication thermal treatment and structural interaction studies of the simulated plaque-laden artery

NASA Astrophysics Data System (ADS)

Welch, Tre Raymond

Advancements in processing biomaterials have lead to the development of bioresorbable PLLA drug-loaded stents with different geometric configurations. To further advance the technology, systematic studies have been carried out. This dissertation consists of five specific aims: (1) To characterize the effects of thermal annealing on the mechanical characteristics of PLLA helical stent, (2) To characterize the mechanical characteristics of a PLLA double helix stent, (3) To characterize the physical and chemical properties of PLLA films impregnated with niacin and curcumin, (4) To characterize the mechanical interaction of expanded stent and vascular wall with both model simulation and experimental studies using PDMS phantom arteries, (5) To simulate the stent-plaque-artery interactions using computer models. Results and their significances in bioresorbable PLLA drug-loaded stents technology as well as clinical prospects will be presented. For Aim1, thermal annealing is shown to improve mechanical characteristics of the helical stent, including pressure-diameter response curves, incremental stiffness, and collapse pressure. Differential scanning calorimetric analysis of stent fiber reveals that thermal annealing contribute to increased percent crystallinity, thus enhanced mechanical characteristics of the stent. For Aim 2, the new double helix design was shown to leads to improved mechanical characteristics of stent, including pressure-diameter response curves, incremental stiffness, and collapse pressure. Further, it was found to lead to an increased percent crystallinity and reduced degradation rate. For Aim 3, the changes in mechanical properties, crystallinity in PLLA polymer loaded with curcumin, or niacin, or both from that of control are clearly delineated. Results from Aim 4 shed lights on the mechanical disturbance in the vicinity of deployed stent and vascular wall as well as the abnormal shear stresses on the vascular endothelium. Their implications in triggering thrombi formation are discussed. Results from Aim 5 provided insights on the stent-plaque-artery mechanical interaction and how the altered mechanical environment after stent deployment could affect vascular remodeling and factors lead to re-stenosis. The significances of this work in advancing the bioresorbable PLLA drug-loaded stents technology as well as its clinical prospects are presented.

Probing stochastic inter-galactic magnetic fields using blazar-induced gamma ray halo morphology

NASA Astrophysics Data System (ADS)

Duplessis, Francis; Vachaspati, Tanmay

2017-05-01

Inter-galactic magnetic fields can imprint their structure on the morphology of blazar-induced gamma ray halos. We show that the halo morphology arises through the interplay of the source's jet and a two-dimensional surface dictated by the magnetic field. Through extensive numerical simulations, we generate mock halos created by stochastic magnetic fields with and without helicity, and study the dependence of the halo features on the properties of the magnetic field. We propose a sharper version of the Q-statistics and demonstrate its sensitivity to the magnetic field strength, the coherence scale, and the handedness of the helicity. We also identify and explain a new feature of the Q-statistics that can further enhance its power.

Probabilistic sampling of protein conformations: new hope for brute force?

PubMed

Feldman, Howard J; Hogue, Christopher W V

2002-01-01

Protein structure prediction from sequence alone by "brute force" random methods is a computationally expensive problem. Estimates have suggested that it could take all the computers in the world longer than the age of the universe to compute the structure of a single 200-residue protein. Here we investigate the use of a faster version of our FOLDTRAJ probabilistic all-atom protein-structure-sampling algorithm. We have improved the method so that it is now over twenty times faster than originally reported, and capable of rapidly sampling conformational space without lattices. It uses geometrical constraints and a Leonard-Jones type potential for self-avoidance. We have also implemented a novel method to add secondary structure-prediction information to make protein-like amounts of secondary structure in sampled structures. In a set of 100,000 probabilistic conformers of 1VII, 1ENH, and 1PMC generated, the structures with smallest Calpha RMSD from native are 3.95, 5.12, and 5.95A, respectively. Expanding this test to a set of 17 distinct protein folds, we find that all-helical structures are "hit" by brute force more frequently than beta or mixed structures. For small helical proteins or very small non-helical ones, this approach should have a "hit" close enough to detect with a good scoring function in a pool of several million conformers. By fitting the distribution of RMSDs from the native state of each of the 17 sets of conformers to the extreme value distribution, we are able to estimate the size of conformational space for each. With a 0.5A RMSD cutoff, the number of conformers is roughly 2N where N is the number of residues in the protein. This is smaller than previous estimates, indicating an average of only two possible conformations per residue when sterics are accounted for. Our method reduces the effective number of conformations available at each residue by probabilistic bias, without requiring any particular discretization of residue conformational space, and is the fastest method of its kind. With computer speeds doubling every 18 months and parallel and distributed computing becoming more practical, the brute force approach to protein structure prediction may yet have some hope in the near future. Copyright 2001 Wiley-Liss, Inc.

Partner-Mediated Polymorphism of an Intrinsically Disordered Protein.

PubMed

Bignon, Christophe; Troilo, Francesca; Gianni, Stefano; Longhi, Sonia

2017-11-29

Intrinsically disordered proteins (IDPs) recognize their partners through molecular recognition elements (MoREs). The MoRE of the C-terminal intrinsically disordered domain of the measles virus nucleoprotein (N TAIL ) is partly pre-configured as an α-helix in the free form and undergoes α-helical folding upon binding to the X domain (XD) of the viral phosphoprotein. Beyond XD, N TAIL also binds the major inducible heat shock protein 70 (hsp70). So far, no structural information is available for the N TAIL /hsp70 complex. Using mutational studies combined with a protein complementation assay based on green fluorescent protein reconstitution, we have investigated both N TAIL /XD and N TAIL /hsp70 interactions. Although the same N TAIL region binds the two partners, the binding mechanisms are different. Hsp70 binding is much more tolerant of MoRE substitutions than XD, and the majority of substitutions lead to an increased N TAIL /hsp70 interaction strength. Furthermore, while an increased and a decreased α-helicity of the MoRE lead to enhanced and reduced interaction strength with XD, respectively, the impact on hsp70 binding is negligible, suggesting that the MoRE does not adopt an α-helical conformation once bound to hsp70. Here, by showing that the α-helical conformation sampled by the free form of the MoRE does not systematically commit it to adopt an α-helical conformation in the bound form, we provide an example of partner-mediated polymorphism of an IDP and of the relative insensitiveness of the bound structure to the pre-recognition state. The present results therefore contribute to shed light on the molecular mechanisms by which IDPs recognize different partners. Copyright © 2017 Elsevier Ltd. All rights reserved.

From neutral to zwitterionic poly(α-amino acid) nonfouling surfaces: Effects of helical conformation and anchoring orientation.

PubMed

Zhang, Chong; Yuan, Jingsong; Lu, Jianhua; Hou, Yingqin; Xiong, Wei; Lu, Hua

2018-02-03

The development of high-performance nonfouling polymer surfaces for implantable medical devices and therapeutic nanomaterials is of great importance. Elaborating the relationship of polymer structural characteristics and the resulted surface properties can offer useful guidance toward ideal biointerfaces. In this work, we investigate the effects of the helical conformation and anchoring orientation of poly(α-amino acid)s (PαAAs) to produce advanced nonfouling surfaces. By using the neutral poly(γ-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)esteryl glutamates) (P(EG 3 Glu)s) as a model system, the adsorption kinetics are monitored by ex-situ variable angle spectroscopic ellipsometry and in-situ quartz crystal microbalance with dissipation. It is found that the polymers adopting a rigid rod-like α-helical conformation can self-assemble more rapidly to produce denser adlayers, and generate significantly improved nonfouling surfaces compared to those flexible polymer analogues including the widely used antifouling polymer PEG. Moreover, the surface properties can be further enhanced by using the antiparallel orientated helical P(EG 3 Glu)s. Most importantly, the insights gained from the P(EG 3 Glu) model system are successfully applied to the generation of ultra-low-fouling surfaces using zwitterionic PαAAs brushes, underscoring the generality of the approach. Particularly, the surface based on the antiparallel aligned zwitterionic helical PαAAs exhibits ∼98-99% reduction of human serum adsorption relative to the bare gold, and gives almost no adhesion of mouse platelet. Taken together, this work depicts an extremely simple yet highly effective approach to manipulate surface properties for numerous applications in biomaterial interfaces, diagnostics, and biosensors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Preoperative evaluation of renal anatomy and renal masses with helical CT, 3D-CT and 3D-CT angiography.

PubMed

Toprak, Uğur; Erdoğan, Aysun; Gülbay, Mutlu; Karademir, Mehmet Alp; Paşaoğlu, Eşref; Akar, Okkeş Emrah

2005-03-01

The aim of this prospective study was to determine the efficacy of three-dimensional computed tomography (3D-CT) and three-dimensional computed tomographic angiography (3D-CTA) that were reconstructed by using the axial images of the multiphasic helical CT in the preoperative evaluation of renal masses and demonstration of renal anatomy. Twenty patients that were suspected of having renal masses upon initial physical examination and ultrasonographic evaluation were examined through multiphasic helical CT. Two authors executed CT evaluations. Axial images were first examined and then used to reconstruct 3D-CT and 3D- CTA images. Number, location and size of the renal masses and other findings were noted. Renal vascularization and relationships of the renal masses with the neighboring renal structures were further investigated with 3D-CT and 3D-CTA images. Out of 20 patients, 13 had histopathologically proven renal cell carcinoma. The diagnoses of the remaining seven patients were xanthogranulomatous pyelonephritis, abscess, simple cyst, infected cyst, angiomyolipoma, oncocytoma and arteriovenous fistula. In the renal cell carcinoma group, 3 patients had stage I, 7 patients had stage II, and 3 patients had stage III disease. Sizes of renal cell carcinoma masses were between 23 mm to 60 mm (mean, 36 mm). Vascular invasion was shown in 2 renal cell carcinoma patients. Collecting system invasion was identified in 11 of 13 renal cell patients. These radiologic findings were confirmed with surgical specimens. Three-dimensional CT and 3D-CTA are non-invasive, effective imaging techniques for the preoperative evaluation of renal masses.

TRANSAT-- method for detecting the conserved helices of functional RNA structures, including transient, pseudo-knotted and alternative structures.

PubMed

Wiebe, Nicholas J P; Meyer, Irmtraud M

2010-06-24

The prediction of functional RNA structures has attracted increased interest, as it allows us to study the potential functional roles of many genes. RNA structure prediction methods, however, assume that there is a unique functional RNA structure and also do not predict functional features required for in vivo folding. In order to understand how functional RNA structures form in vivo, we require sophisticated experiments or reliable prediction methods. So far, there exist only a few, experimentally validated transient RNA structures. On the computational side, there exist several computer programs which aim to predict the co-transcriptional folding pathway in vivo, but these make a range of simplifying assumptions and do not capture all features known to influence RNA folding in vivo. We want to investigate if evolutionarily related RNA genes fold in a similar way in vivo. To this end, we have developed a new computational method, Transat, which detects conserved helices of high statistical significance. We introduce the method, present a comprehensive performance evaluation and show that Transat is able to predict the structural features of known reference structures including pseudo-knotted ones as well as those of known alternative structural configurations. Transat can also identify unstructured sub-sequences bound by other molecules and provides evidence for new helices which may define folding pathways, supporting the notion that homologous RNA sequence not only assume a similar reference RNA structure, but also fold similarly. Finally, we show that the structural features predicted by Transat differ from those assuming thermodynamic equilibrium. Unlike the existing methods for predicting folding pathways, our method works in a comparative way. This has the disadvantage of not being able to predict features as function of time, but has the considerable advantage of highlighting conserved features and of not requiring a detailed knowledge of the cellular environment.

Computer-aided design of DNA origami structures.

PubMed

Selnihhin, Denis; Andersen, Ebbe Sloth

2015-01-01

The DNA origami method enables the creation of complex nanoscale objects that can be used to organize molecular components and to function as reconfigurable mechanical devices. Of relevance to synthetic biology, DNA origami structures can be delivered to cells where they can perform complicated sense-and-act tasks, and can be used as scaffolds to organize enzymes for enhanced synthesis. The design of DNA origami structures is a complicated matter and is most efficiently done using dedicated software packages. This chapter describes a procedure for designing DNA origami structures using a combination of state-of-the-art software tools. First, we introduce the basic method for calculating crossover positions between DNA helices and the standard crossover patterns for flat, square, and honeycomb DNA origami lattices. Second, we provide a step-by-step tutorial for the design of a simple DNA origami biosensor device, from schematic idea to blueprint creation and to 3D modeling and animation, and explain how careful modeling can facilitate later experimentation in the laboratory.

The dominant interaction between peptide and urea is electrostatic in nature: a molecular dynamics simulation study.

PubMed

Tobi, Dror; Elber, Ron; Thirumalai, Devarajan

2003-03-01

The conformational equilibrium of a blocked valine peptide in water and aqueous urea solution is studied using molecular dynamics simulations. Pair correlation functions indicate enhanced concentration of urea near the peptide. Stronger hydrogen bonding of urea-peptide compared to water-peptide is observed with preference for helical conformation. The potential of mean force, computed using umbrella sampling, shows only small differences between urea and water solvation that are difficult to quantify. The changes in solvent structure around the peptide are explained by favorable electrostatic interactions (hydrogen bonds) of urea with the peptide backbone. There is no evidence for significant changes in hydrophobic interactions in the two conformations of the peptide in urea solution. Our simulations suggest that urea denatures proteins by preferentially forming hydrogen bonds to the peptide backbone, reducing the barrier for exposing protein residues to the solvent, and reaching the unfolded state. Copyright 2003 Wiley Periodicals, Inc. Biopolymers: 359-369, 2003

Numerical simulation of mechanical mixing in high solid anaerobic digester.

PubMed

Yu, Liang; Ma, Jingwei; Chen, Shulin

2011-01-01

Computational fluid dynamics (CFD) was employed to study mixing performance in high solid anaerobic digester (HSAD) with A-310 impeller and helical ribbon. A mathematical model was constructed to assess flow fields. Good agreement of the model results with experimental data was obtained for the A-310 impeller. A systematic comparison for the interrelationship of power number, flow number and Reynolds number was simulated in a digester with less than 5% TS and 10% TS (total solids). The simulation results suggested a great potential for using the helical ribbon mixer in the mixing of high solids digester. The results also provided quantitative confirmation for minimum power consumption in HSAD and the effect of share rate on bio-structure. Copyright © 2010 Elsevier Ltd. All rights reserved.

HippDB: a database of readily targeted helical protein-protein interactions.

PubMed

Bergey, Christina M; Watkins, Andrew M; Arora, Paramjit S

2013-11-01

HippDB catalogs every protein-protein interaction whose structure is available in the Protein Data Bank and which exhibits one or more helices at the interface. The Web site accepts queries on variables such as helix length and sequence, and it provides computational alanine scanning and change in solvent-accessible surface area values for every interfacial residue. HippDB is intended to serve as a starting point for structure-based small molecule and peptidomimetic drug development. HippDB is freely available on the web at http://www.nyu.edu/projects/arora/hippdb. The Web site is implemented in PHP, MySQL and Apache. Source code freely available for download at http://code.google.com/p/helidb, implemented in Perl and supported on Linux. arora@nyu.edu.

Two-Phase Helical Computed Tomography Study of Salivary Gland Warthin Tumors: A Radiologic Findings and Surgical Applications

PubMed Central

Joo, Yeon Hee; Kim, Jin Pyeong; Park, Jung Je

2014-01-01

Objectives The goal of this study was to define the radiologic characteristics of two-phase computed tomography (CT) of salivary gland Warthin tumors and to compare them to pleomorphic adenomas. We also aimed to provide a foundation for selecting a surgical method on the basis of radiologic findings. Methods We prospectively enrolled 116 patients with parotid gland tumors, who underwent two-phase CT preoperatively. Early and delayed phase scans were obtained, with scanning delays of 30 and 120 seconds, respectively. The attenuation changes and enhancement patterns were analyzed. In cases when the attenuation changes were decreased, we presumed Warthin tumor preoperatively and performed extracapsular dissection. When the attenuation changes were increased, superficial parotidectomy was performed on the parotid gland tumors. We analyzed the operation times, incision sizes, complications, and recurrence rates. Results Attenuation of Warthin tumors was decreased from early to delayed scans. The ratio of CT numbers in Warthin tumors was also significantly different from other tumors. Warthin tumors were diagnosed with a sensitivity of 96.1% and specificity of 97% using two-phase CT. The mean operation time was 38 minutes and the mean incision size was 36.2 mm for Warthin tumors. However, for the other parotid tumors, the average operation time was 122 minutes and the average incision size was 91.8 mm (P<0.05). Conclusion Salivary Warthin tumor has a distinct pattern of contrast enhancement on two-phase CT, which can guide treatment decisions. The preoperative diagnosis of Warthin tumor made extracapsular dissection possible instead of superficial parotidectomy. PMID:25177439

Two-phase helical computed tomography study of salivary gland warthin tumors: a radiologic findings and surgical applications.

PubMed

Joo, Yeon Hee; Kim, Jin Pyeong; Park, Jung Je; Woo, Seung Hoon

2014-09-01

The goal of this study was to define the radiologic characteristics of two-phase computed tomography (CT) of salivary gland Warthin tumors and to compare them to pleomorphic adenomas. We also aimed to provide a foundation for selecting a surgical method on the basis of radiologic findings. We prospectively enrolled 116 patients with parotid gland tumors, who underwent two-phase CT preoperatively. Early and delayed phase scans were obtained, with scanning delays of 30 and 120 seconds, respectively. The attenuation changes and enhancement patterns were analyzed. In cases when the attenuation changes were decreased, we presumed Warthin tumor preoperatively and performed extracapsular dissection. When the attenuation changes were increased, superficial parotidectomy was performed on the parotid gland tumors. We analyzed the operation times, incision sizes, complications, and recurrence rates. Attenuation of Warthin tumors was decreased from early to delayed scans. The ratio of CT numbers in Warthin tumors was also significantly different from other tumors. Warthin tumors were diagnosed with a sensitivity of 96.1% and specificity of 97% using two-phase CT. The mean operation time was 38 minutes and the mean incision size was 36.2 mm for Warthin tumors. However, for the other parotid tumors, the average operation time was 122 minutes and the average incision size was 91.8 mm (P<0.05). Salivary Warthin tumor has a distinct pattern of contrast enhancement on two-phase CT, which can guide treatment decisions. The preoperative diagnosis of Warthin tumor made extracapsular dissection possible instead of superficial parotidectomy.

Molecular modeling of biomembranes and their complexes with protein transmembrane α-helices

NASA Astrophysics Data System (ADS)

Kuznetsov, Andrey S.; Smirnov, Kirill V.; Antonov, Mikhail Yu.; Nikolaev, Ivan N.; Efremov, Roman G.

2017-11-01

Helical segments are common structural elements of membrane proteins. Dimerization and oligomerization of transmembrane (TM) α-helices provides the framework for spatial structure formation and protein-protein interactions. The membrane itself also takes part in the protein functioning. There are some examples of the mutual influence of the lipid bilayer properties and embedded membrane proteins. This work aims at the detail investigation of protein-lipid interactions using model systems: TM peptides corresponding to native protein segments. Three peptides were considered corresponding to TM domains of human glycophorin A (GpA), epidermal growth factor receptor (EGFR) and proposed TM-segment of human neuraminidase-1 (Neu1). A computational analysis of structural and dynamical properties was performed using molecular dynamics method. Monomers of peptides were considered incorporated into hydrated lipid bilayers. It was confirmed, that all these TM peptides have stable helical conformation in lipid environment, and the mutual adaptation of peptides and membrane was observed. It was shown that incorporation of the peptide into membrane results in the modulation of local and mean structural properties of the bilayer. Each peptide interacts with lipid acyl chains having special binding sites on the surface of central part of α-helix that exist for at least 200 ns. However, lipid acyl chains substitute each other faster occupying the same site. The formation of a special pattern of protein-lipid interactions may modulate the association of TM domains of membrane proteins, so membrane environment should be considered when proposing new substances targeting cell receptors.

Numerical study of the influence of geometrical characteristics of a vertical helical coil on a bubbly flow

NASA Astrophysics Data System (ADS)

Saffari, H.; Moosavi, R.

2014-11-01

In this article, turbulent single-phase and two-phase (air-water) bubbly fluid flows in a vertical helical coil are analyzed by using computational fluid dynamics (CFD). The effects of the pipe diameter, coil diameter, coil pitch, Reynolds number, and void fraction on the pressure loss, friction coefficient, and flow characteristics are investigated. The Eulerian-Eulerian model is used in this work to simulate the two-phase fluid flow. Three-dimensional governing equations of continuity, momentum, and energy are solved by using the finite volume method. The k- ɛ turbulence model is used to calculate turbulence fluctuations. The SIMPLE algorithm is employed to solve the velocity and pressure fields. Due to the effect of a secondary force in helical pipes, the friction coefficient is found to be higher in helical pipes than in straight pipes. The friction coefficient increases with an increase in the curvature, pipe diameter, and coil pitch and decreases with an increase in the coil diameter and void fraction. The close correlation between the numerical results obtained in this study and the numerical and empirical results of other researchers confirm the accuracy of the applied method. For void fractions up to 0.1, the numerical results indicate that the friction coefficient increases with increasing the pipe diameter and keeping the coil pitch and diameter constant and decreases with increasing the coil diameter. Finally, with an increase in the Reynolds number, the friction coefficient decreases, while the void fraction increases.

The unexplored avenues of human skin: electromagnetic properties in the sub-THz band

NASA Astrophysics Data System (ADS)

Feldman, Y.; Safrai, E.; Ben Ishai, P.; Puzenko, A.; Agranat, A. J.; Caduff, A.

2012-03-01

Recent studies of the minute morphology of the skin by optical coherence tomography showed that the sweat ducts in human skin become helically shaped tubes in the Epidermis and are filled with an aqueous solution. When considered as entities embedded in a dielectric media, they resemble helical antennas. The spectral response obtained by our computer simulations coincides with the analytical prediction of antenna theory and support this hypothesis, if a fast enough current mechanism exists in the duct. In particular the strongest spectral response of the simulation was noted around the predicted frequencies (240 GHz and 380 GHz) for the respective normal and axial modes of the helical structure. Furthermore, circular dichroism of the reflected electromagnetic field is a characteristic property of such helical antennas and it was shown that it is indeed a characteristic of the simulation model. Fast proton hopping is posited as the current mechanism. Consequently experimental evidence is presented that the spectral response of the skin in the sub-Terahertz region is governed by the level of activity of the perspiration system. This in turn is moderated by the Sympathetic Nerve Response and is demonstrated by the correlation to physiological stress as manifested by the pulse rate and the systolic blood pressure. These physical relaxations are tonic in nature (lasting more than a minute). Could the phasic characteristic of emotional excitation also be evident in the reflection coefficient? By applying techniques borrowed from psychiatric science we hope to answer this point in our paper.

Catecholaminergic challenge uncovers distinct Pavlovian and instrumental mechanisms of motivated (in)action.

PubMed

Swart, Jennifer C; Froböse, Monja I; Cook, Jennifer L; Geurts, Dirk Em; Frank, Michael J; Cools, Roshan; den Ouden, Hanneke Em

2017-05-15

Catecholamines modulate the impact of motivational cues on action. Such motivational biases have been proposed to reflect cue-based, 'Pavlovian' effects. Here, we assess whether motivational biases may also arise from asymmetrical instrumental learning of active and passive responses following reward and punishment outcomes. We present a novel paradigm, allowing us to disentangle the impact of reward and punishment on instrumental learning from Pavlovian response biasing. Computational analyses showed that motivational biases reflect both Pavlovian and instrumental effects: reward and punishment cues promoted generalized (in)action in a Pavlovian manner, whereas outcomes enhanced instrumental (un)learning of chosen actions. These cue- and outcome-based biases were altered independently by the catecholamine enhancer melthylphenidate. Methylphenidate's effect varied across individuals with a putative proxy of baseline dopamine synthesis capacity, working memory span. Our study uncovers two distinct mechanisms by which motivation impacts behaviour, and helps refine current models of catecholaminergic modulation of motivated action.

Designing Artificial Enzymes by Intuition and Computation

PubMed Central

Nanda, Vikas; Koder, Ronald L.

2012-01-01

The rational design of artificial enzymes either by applying physio-chemical intuition of protein structure and function or with the aid of computation methods is a promising area of research with the potential to tremendously impact medicine, industrial chemistry and energy production. Designed proteins also provide a powerful platform for dissecting enzyme mechanisms of natural systems. Artificial enzymes have come a long way, from simple α-helical peptide catalysts to proteins that facilitate multi-step chemical reactions designed by state-of-the-art computational methods. Looking forward, we examine strategies employed by natural enzymes which could be used to improve the speed and selectivity of artificial catalysts. PMID:21124375

Enhanced Electroweak Penguin Amplitude in B{yields}VV Decays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beneke, M.; Rohrer, J.; Yang, D.

2006-04-14

We discuss a novel electromagnetic penguin contribution to the transverse helicity amplitudes in B decays to two vector mesons, which is enhanced by two powers of m{sub B}/{lambda} relative to the standard penguin amplitudes. This leads to unique polarization signatures in penguin-dominated decay modes such as B{yields}{rho}K* similar to polarization effects in the radiative decay B{yields}K*{gamma} and offers new opportunities to probe the magnitude and chirality of flavor-changing neutral current couplings to photons.

Accuracy and efficiency of computer-aided anatomical analysis using 3D visualization software based on semi-automated and automated segmentations.

PubMed

An, Gao; Hong, Li; Zhou, Xiao-Bing; Yang, Qiong; Li, Mei-Qing; Tang, Xiang-Yang

2017-03-01

We investigated and compared the functionality of two 3D visualization software provided by a CT vendor and a third-party vendor, respectively. Using surgical anatomical measurement as baseline, we evaluated the accuracy of 3D visualization and verified their utility in computer-aided anatomical analysis. The study cohort consisted of 50 adult cadavers fixed with the classical formaldehyde method. The computer-aided anatomical analysis was based on CT images (in DICOM format) acquired by helical scan with contrast enhancement, using a CT vendor provided 3D visualization workstation (Syngo) and a third-party 3D visualization software (Mimics) that was installed on a PC. Automated and semi-automated segmentations were utilized in the 3D visualization workstation and software, respectively. The functionality and efficiency of automated and semi-automated segmentation methods were compared. Using surgical anatomical measurement as a baseline, the accuracy of 3D visualization based on automated and semi-automated segmentations was quantitatively compared. In semi-automated segmentation, the Mimics 3D visualization software outperformed the Syngo 3D visualization workstation. No significant difference was observed in anatomical data measurement by the Syngo 3D visualization workstation and the Mimics 3D visualization software (P>0.05). Both the Syngo 3D visualization workstation provided by a CT vendor and the Mimics 3D visualization software by a third-party vendor possessed the needed functionality, efficiency and accuracy for computer-aided anatomical analysis. Copyright © 2016 Elsevier GmbH. All rights reserved.

A unified convention for biological assemblies with helical symmetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsai, Chung-Jung, E-mail: tsaic@mail.nih.gov; Nussinov, Ruth; Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978

A new representation of helical structure by four parameters, [n{sub 1}, n{sub 2}, twist, rise], is able to generate an entire helical construct from asymmetric units, including cases of helical assembly with a seam. Assemblies with helical symmetry can be conveniently formulated in many distinct ways. Here, a new convention is presented which unifies the two most commonly used helical systems for generating helical assemblies from asymmetric units determined by X-ray fibre diffraction and EM imaging. A helical assembly is viewed as being composed of identical repetitive units in a one- or two-dimensional lattice, named 1-D and 2-D helical systems,more » respectively. The unification suggests that a new helical description with only four parameters [n{sub 1}, n{sub 2}, twist, rise], which is called the augmented 1-D helical system, can generate the complete set of helical arrangements, including coverage of helical discontinuities (seams). A unified four-parameter characterization implies similar parameters for similar assemblies, can eliminate errors in reproducing structures of helical assemblies and facilitates the generation of polymorphic ensembles from helical atomic models or EM density maps. Further, guidelines are provided for such a unique description that reflects the structural signature of an assembly, as well as rules for manipulating the helical symmetry presentation.« less

Manipulating the membrane penetration mechanism of helical polypeptides via aromatic modification for efficient gene delivery.

PubMed

Zheng, Nan; Song, Ziyuan; Yang, Jiandong; Liu, Yang; Li, Fangfang; Cheng, Jianjun; Yin, Lichen

2017-08-01

The delivery performance of non-viral gene vectors is greatly related to their intracellular kinetics. Cationic helical polypeptides with potent membrane penetration properties and gene transfection efficiencies have been recently developed by us. However, they suffer from severe drawbacks in terms of their membrane penetration mechanisms that mainly include endocytosis and pore formation. The endocytosis mechanism leads to endosomal entrapment of gene cargos, while the charge- and helicity-induced pore formation causes appreciable cytotoxicity at high concentrations. With the attempt to overcome such critical challenges, we incorporated aromatic motifs into the design of helical polypeptides to enhance their membrane activities and more importantly, to manipulate their membrane penetration mechanisms. The aromatically modified polypeptides exhibited higher cellular internalization level than the unmodified analogue by up to 2.5 folds. Such improvement is possibly because aromatic domains promoted the polypeptides to penetrate cell membranes via direct transduction, a non-endocytosis and non-pore formation mechanism. As such, gene cargos were more efficiently delivered into cells by bypassing endocytosis and subsequently avoiding endosomal entrapment, and the material toxicity associated with excessive pore formation was also reduced. The top-performing aromatic polypeptide containing naphthyl side chains at the incorporated content of 20mol% revealed notably higher transfection efficiencies than commercial reagents in melanoma cells in vitro (by 11.7 folds) and in vivo (by 9.1 folds), and thus found potential utilities toward topical gene delivery for cancer therapy. Cationic helical polypeptides, as efficient gene delivery materials, suffer from severe drawbacks in terms of their membrane penetration mechanisms. The main cell penetration mechanisms involved are endocytosis and pore formation. However, the endocytosis mechanism has the limitation of endosomal entrapment of gene cargos, while the charge- and helicity-induced pore formation causes cytotoxicity at high concentrations. To address such critical issues toward the maximization of gene delivery efficiency, we incorporated aromatic domains into helical polypeptides to promote the cell membrane penetrations via direct transduction, which is a non-endocytosis and non-pore formation mechanism. The manipulation of their membrane penetration mechanisms allows gene cargos to be more efficiently delivered by bypassing endocytosis and subsequently avoiding endosomal entrapment. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Using DAS for reflection seismology - lessons learned from three field studies

NASA Astrophysics Data System (ADS)

Freifeld, B. M.; Dou, S.; Ajo Franklin, J. B.; Robertson, M.; Wood, T.; Daley, T. M.; White, D. J.; Worth, K.; Pevzner, R.; Yavuz, S.; dos Santos Maia Correa, J.; McDonald, S.

2017-12-01

Distributed acoustic sensing (DAS) has rapidly gained recognition for its potential for seismic imaging. For surface reflection seismology, the wide spatial aperture afforded by DAS is a primary motivation for its application, however the lower SNR of DAS has proven to be a significant impediment to acquiring data that can replace conventional receiver arrays. A further limitation of DAS cables is that the strain-dependent response is insensitive to acoustic energy which arrives orthogonal to the cable axis, reducing its effectiveness at seeing energy reflected from the deep subsurface. To enhance the sensitivity of DAS cables for reflection seismology, we have trialed at three field sites DAS cables with helical construction in which there is a significant component of optical fiber that is coincident with arriving broadside energy. We have installed helically wound DAS cables at the PTRC Aquistore Project in Saskatchewan, Canada and the CO2CRC Otway Project in Nirranda South, Victoria, Australia in shallow trenches. For the ADM Intelligent Monitoring Systems Project in Decatur, Illinois, USA we used a horizontal directional drilling method to install DAS cables at a depth that is greater than can be achieved using trenched installation. At the Otway and ADM sites we operated surface orbital vibrators (SOVs) at fixed locations to enhance sensitivity by stacking large numbers of sweeps. We present survey results from the three sites. Analysis of both vibroseis survey and SOV results show that the helical cable design achieves its primary objective of improving sensitivity to reflected energy, with further gains needed to achieve the sensitivity of conventional geophones.

Comparative study of protein unfolding in aqueous urea and dimethyl sulfoxide solutions: surface polarity, solvent specificity, and sequence of secondary structure melting.

PubMed

Roy, Susmita; Bagchi, Biman

2014-05-29

Elucidation of possible pathways between folded (native) and unfolded states of a protein is a challenging task, as the intermediates are often hard to detect. Here, we alter the solvent environment in a controlled manner by choosing two different cosolvents of water, urea, and dimethyl sulfoxide (DMSO) and study unfolding of four different proteins to understand the respective sequence of melting by computer simulation methods. We indeed find interesting differences in the sequence of melting of α helices and β sheets in these two solvents. For example, in 8 M urea solution, β-sheet parts of a protein are found to unfold preferentially, followed by the unfolding of α helices. In contrast, 8 M DMSO solution unfolds α helices first, followed by the separation of β sheets for the majority of proteins. Sequence of unfolding events in four different α/β proteins and also in chicken villin head piece (HP-36) both in urea and DMSO solutions demonstrate that the unfolding pathways are determined jointly by relative exposure of polar and nonpolar residues of a protein and the mode of molecular action of a solvent on that protein.

Role of the Lipid Environment in the Dimerization of Transmembrane Domains of Glycophorin A

PubMed Central

Kuznetsov, A. S.; Volynsky, P. E.; Efremov, R. G.

2015-01-01

An efficient computational approach is developed to quantify the free energy of a spontaneous association of the α-helices of proteins in the membrane environment. The approach is based on the numerical decomposition of the free energy profiles of the transmembrane (TM) helices into components corresponding to protein-protein, protein-lipid, and protein-water interactions. The method was tested for the TM segments of human glycophorin A (GpA) and two mutant forms, Gly83Ala and Thr87Val. It was shown that lipids make a significant negative contribution to the free energy of dimerization, while amino acid residues forming the interface of the helix-helix contact may be unfavorable in terms of free energy. The detailed balance between different energy contributions is highly dependent on the amino acid sequence of the TM protein segment. The results show the dominant role of the environment in the interaction of membrane proteins that is changing our notion of the driving force behind the spontaneous association of TM α-helices. Adequate estimation of the contribution of the water-lipid environment thus becomes an extremely urgent task for a rational design of new molecules targeting bitopic membrane proteins, including receptor tyrosine kinases. PMID:26798499

Helicity, geostrophic balance and mixing in rotating stratified turbulence: a multi-scale problem

NASA Astrophysics Data System (ADS)

Pouquet, A.; Marino, R.; Mininni, P.; Rorai, C.; Rosenberg, D. L.

2012-12-01

Helicity, geostrophic balance and mixing in rotating stratified turbulence: a multi-scale problem A. Pouquet, R. Marino, P. D. Mininni, C. Rorai & D. Rosenberg, NCAR Interactions between winds and waves have important roles in planetary and oceanic boundary layers, affecting momentum, heat and CO2 transport. Within the Abyssal Southern Ocean at Mid latitude, this may result in a mixed layer which is too shallow in climate models thereby affecting the overall evolution because of poor handling of wave breaking as in Kelvin-Helmoltz instabilities: gravity waves couple nonlinearly on slow time scales and undergo steepening through resonant interactions, or due to the presence of shear. In the oceans, sub-mesoscale frontogenesis and significant departure from quasi-geostrophy can be seen as turbulence intensifies. The ensuing anomalous vertical dispersion may not be simply modeled by a random walk, due to intermittent structures, wave propagation and to their interactions. Conversely, the energy and seeds required for such intermittent events to occur, say in the stable planetary boundary layer, may come from the wave field that is perturbed, or from winds and the effect of topography. Under the assumption of stationarity, weak nonlinearities, dissipation and forcing, one obtains large-scale geostrophic balance linking pressure gradient, gravity and Coriolis force. The role of helicity (velocity-vorticity correlations) has not received as much attention, outside the realm of astrophysics when considering the growth of large-scale magnetic fields. However, it is measured routinely in the atmosphere in order to gauge the likelihood of supercell convective storms to strengthen, and it may be a factor to consider in the formation of hurricanes. In this context, we examine the transition from a wave-dominated regime to an isotropic small-scale turbulent one in rotating flows with helical forcing. Using a direct numerical simulation (DNS) on a 3072^3 grid with Rossby and Reynolds numbers of 0.07 and 27000, one can resolve both the Zeman scale at which the inertial and eddy turn-over times equalize, and the dissipation scale. We show that fully helical vertical columns dominate at intermediate scales, presumably self-similar and shrouded by a sea of small-scale vortex filaments as in Kolmogorov turbulence. Helicity has a profound effect on the structures of the flow, and a previously developed model that includes a helical component in its eddy viscosity and eddy noise shows a measurable improvement. Indeed, if dimensionless parameters for inertial and gravity waves are reachable numerically, the Reynolds number is too low in DNS for geophysics unless one uses parametrizations of small scale interactions. For spin-down stably-stratified flows, energy and helicity undergo a substantially slower decay than in the unstratified case, and a type of large-scale cyclostrophic balance is invoked to explain this behavior. The decay rate is similar to that occurring in the unstratified rotating case, as modeled by taking into account the quasi-conservation of helicity. We finally mention helicity production when rotation and stratification are both combined. In conclusion, much remains to be done, e.g. examining transport properties of rotating stratified turbulence, such as the effect of helicity on mixing in geophysical flows that can be studied with high-performance computing allowing multi-scale interactions and intermittency to develop.

Communication: Self-assembly of a model supramolecular polymer studied by replica exchange with solute tempering

NASA Astrophysics Data System (ADS)

Arefi, Hadi H.; Yamamoto, Takeshi

2017-12-01

Conventional molecular-dynamics (cMD) simulation has a well-known limitation in accessible time and length scales, and thus various enhanced sampling techniques have been proposed to alleviate the problem. In this paper, we explore the utility of replica exchange with solute tempering (REST) (i.e., a variant of Hamiltonian replica exchange methods) to simulate the self-assembly of a supramolecular polymer in explicit solvent and compare the performance with temperature-based replica exchange MD (T-REMD) as well as cMD. As a test system, we consider a relatively simple all-atom model of supramolecular polymerization (namely, benzene-1,3,5-tricarboxamides in methylcyclohexane solvent). Our results show that both REST and T-REMD are able to predict highly ordered polymer structures with helical H-bonding patterns, in contrast to cMD which completely fails to obtain such a structure for the present model. At the same time, we have also experienced some technical challenge (i.e., aggregation-dispersion transition and the resulting bottleneck for replica traversal), which is illustrated numerically. Since the computational cost of REST scales more moderately than T-REMD, we expect that REST will be useful for studying the self-assembly of larger systems in solution with enhanced rearrangement of monomers.

Structural basis of molecular recognition of helical histone H3 tail by PHD finger domains.

PubMed

Bortoluzzi, Alessio; Amato, Anastasia; Lucas, Xavier; Blank, Manuel; Ciulli, Alessio

2017-05-04

The plant homeodomain (PHD) fingers are among the largest family of epigenetic domains, first characterized as readers of methylated H3K4. Readout of histone post-translational modifications by PHDs has been the subject of intense investigation; however, less is known about the recognition of secondary structure features within the histone tail itself. We solved the crystal structure of the PHD finger of the bromodomain adjacent to zinc finger 2A [BAZ2A, also known as TIP5 (TTF-I/interacting protein 5)] in complex with unmodified N-terminal histone H3 tail. The peptide is bound in a helical folded-back conformation after K4, induced by an acidic patch on the protein surface that prevents peptide binding in an extended conformation. Structural bioinformatics analyses identify a conserved Asp/Glu residue that we name 'acidic wall', found to be mutually exclusive with the conserved Trp for K4Me recognition. Neutralization or inversion of the charges at the acidic wall patch in BAZ2A, and homologous BAZ2B, weakened H3 binding. We identify simple mutations on H3 that strikingly enhance or reduce binding, as a result of their stabilization or destabilization of H3 helicity. Our work unravels the structural basis for binding of the helical H3 tail by PHD fingers and suggests that molecular recognition of secondary structure motifs within histone tails could represent an additional layer of regulation in epigenetic processes. © 2017 The Author(s).

Evolution of the baryon asymmetry through the electroweak crossover in the presence of a helical magnetic field

NASA Astrophysics Data System (ADS)

Kamada, Kohei; Long, Andrew J.

2016-12-01

We elaborate upon the model of baryogenesis from decaying magnetic helicity by focusing on the evolution of the baryon number and magnetic field through the Standard Model electroweak crossover. The baryon asymmetry is determined by a competition between the helical hypermagnetic field, which sources baryon number, and the electroweak sphaleron, which tends to wash out baryon number. At the electroweak crossover, both of these processes become inactive; the hypermagnetic field is converted into an electromagnetic field, which does not source baryon number, and the weak gauge boson masses grow, suppressing the electroweak sphaleron reaction. An accurate prediction of the relic baryon asymmetry requires a careful treatment of the crossover. We extend our previous study [K. Kamada and A. J. Long, Phys. Rev. D 94, 063501 (2016)], taking into account the gradual conversion of the hypermagnetic into the electromagnetic field. If the conversion is not completed by the time of sphaleron freeze-out, as both analytic and numerical studies suggest, the relic baryon asymmetry is enhanced compared to previous calculations. The observed baryon asymmetry of the Universe can be obtained for a primordial magnetic field that has a present-day field strength and coherence length of B0˜10-17 G and λ0˜10-3 pc and a positive helicity. For larger B0 the baryon asymmetry is overproduced, which may be in conflict with blazar observations that provide evidence for an intergalactic magnetic field of strength B0≳10-14 - 16 G .

Role of molecular architecture on the relative efficacy of aurein 2.5 and modelin 5.

PubMed

Dennison, Sarah R; Morton, Leslie H G; Phoenix, David A

2012-09-01

In order to gain an insight into the mechanism of antimicrobial peptide action, aurein 2.5 and modelin-5 were studied. When tested against Staphylococcus aureus, aurein 2.5 showed approximately 5-fold greater efficacy even though the higher net positive charge and higher helix stability shown by modelin-5 would have predicated modelin-5 to be the more effective antimicrobial. However, in the presence of S. aureus membrane mimics, aurein 2.5 showed greater helical content (75% helical) relative to modelin-5 (51% helical) indicative of increase in membrane association. This was supported by monolayer data showing that aurein 2.5 (6.6mNm(-1)) generated greater pressure changes than modelin-5 (5.3mNm(-1)). Peptide monolayers indicted that modelin-5 formed a helix horizontal to the plane of an asymmetric interface which would be supported by the even distribution of charge and hydrophobicity along the helical long axis and facilitate lysis by non-specific membrane binding. In contrast, a groove structure observed on the surface of aurein 2.5 was predicted to be the cause of enhanced lipid binding (K(d)=75μM) relative to modelin-5 (K(d)=118μM) and the balance of hydrophobicity along the aurein 2.5 long axis supported deep penetration into the membrane in a tilt formation. This oblique orientation generates greater lytic efficacy in high anionic lipid (71%) compared to modelin-5 (32%). Copyright © 2012 Elsevier B.V. All rights reserved.

Excitation of high wavenumber fluctuations by externally-imposed helical fields in edge pedestal plasmas

NASA Astrophysics Data System (ADS)

Singh, R.; Kim, J.-H.; Jhang, Hogun; Das, S.

2018-03-01

Two-step mode coupling analyses for nonlinear excitation of the ballooning mode (BM) in pedestal plasma by external helical magnetic field perturbation [Resonant Magnetic Perturbations (RMP)] are presented. This technique allows calculating the effect of higher harmonic sidebands generated by interaction of long scale RMP pump and BM. It is shown that RMP field perturbations can modify the BM growth rate and frequency through nonlinear Reynolds stress and magnetic stress. In particular, it is shown that both stresses can efficiently excite high wavenumber BM fluctuations which, in turn, can enhance the transport in the pedestal. Another notable feature of this analysis is the existence of short scale (high- k y ) nonlinear instability at Alfven time scale near the ideal BM threshold boundary.

Probing stochastic inter-galactic magnetic fields using blazar-induced gamma ray halo morphology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duplessis, Francis; Vachaspati, Tanmay, E-mail: fdupless@asu.edu, E-mail: tvachasp@asu.edu

Inter-galactic magnetic fields can imprint their structure on the morphology of blazar-induced gamma ray halos. We show that the halo morphology arises through the interplay of the source's jet and a two-dimensional surface dictated by the magnetic field. Through extensive numerical simulations, we generate mock halos created by stochastic magnetic fields with and without helicity, and study the dependence of the halo features on the properties of the magnetic field. We propose a sharper version of the Q-statistics and demonstrate its sensitivity to the magnetic field strength, the coherence scale, and the handedness of the helicity. We also identify andmore » explain a new feature of the Q-statistics that can further enhance its power.« less

Elucidating Peptide and Protein Structure and Dynamics: UV Resonance Raman Spectroscopy

PubMed Central

Oladepo, Sulayman A.; Xiong, Kan; Hong, Zhenmin; Asher, Sanford A.

2011-01-01

UV resonance Raman spectroscopy (UVRR) is a powerful method that has the requisite selectivity and sensitivity to incisively monitor biomolecular structure and dynamics in solution. In this perspective, we highlight applications of UVRR for studying peptide and protein structure and the dynamics of protein and peptide folding. UVRR spectral monitors of protein secondary structure, such as the Amide III3 band and the Cα-H band frequencies and intensities can be used to determine Ramachandran Ψ angle distributions for peptide bonds. These incisive, quantitative glimpses into conformation can be combined with kinetic T-jump methodologies to monitor the dynamics of biomolecular conformational transitions. The resulting UVRR structural insight is impressive in that it allows differentiation of, for example, different α-helix-like states that enable differentiating π- and 310- states from pure α-helices. These approaches can be used to determine the Gibbs free energy landscape of individual peptide bonds along the most important protein (un)folding coordinate. Future work will find spectral monitors that probe peptide bond activation barriers that control protein (un)folding mechanisms. In addition, UVRR studies of sidechain vibrations will probe the role of side chains in determining protein secondary, tertiary and quaternary structures. PMID:21379371

Bearing capacity of helical pile foundation in peat soil from different, diameter and spacing of helical plates

NASA Astrophysics Data System (ADS)

Fatnanta, F.; Satibi, S.; Muhardi

2018-03-01

In an area dominated by thick peat soil layers, driven piles foundation is often used. These piles are generally skin friction piles where the pile tips do not reach hard stratum. Since the bearing capacity of the piles rely on the resistance of their smooth skin, the bearing capacity of the piles are generally low. One way to increase the bearing capacity of the piles is by installing helical plates around the pile tips. Many research has been performed on helical pile foundation. However, literature on the use of helical pile foundation on peat soil is still hardly found. This research focus on the study of axial bearing capacity of helical pile foundation in peat soil, especially in Riau Province. These full-scale tests on helical pile foundation were performed in a rectangular box partially embedded into the ground. The box is filled with peat soil, which was taken from Rimbo Panjang area in the district of Kampar, Riau Province. Several helical piles with different number, diameter and spacing of the helical plates have been tested and analysed. The tests result show that helical pile with three helical plates of uniform diameter has better bearing capacity compared to other helical piles with varying diameter and different number of helical plates. The bearing capacity of helical pile foundation is affected by the spacing between helical plates. It is found that the effective helical plates spacing for helical pile foundation with diameter of 15cm to 35cm is between 20cm to 30cm. This behaviour may be considered to apply to other type of helical pile foundations in peat soil.

[Evaluation of Slavic continuity for electrocardiograph (ECG)-gated non-helical scan using multi detector-row computed tomography with 64 data acquisition system].

PubMed

Shiotani, Masataka; Ogawa, Masato; Watanabe, Ryo; Shinohara, Tamotsu

2012-01-01

Multi detector-row computed tomography with 64 data acquisition systems are widely used for coronary CT angiography with an electrocardiograph (ECG) gated helical scan (HS). Step and shoot with ECG gated non-helical scan (snap shot pulse: SSP) could reduce exposure dose but banding artifact-like discontinuity was observed between adjacent slabs on volume rendering (VR) and curved planner reconstruction (CPR). Therefore, we investigated the factors that influence continuity of VR and CPR images by calculating image properties of Z-axis direction of slab. The observer performance studies were performed for evaluating continuity of simulated blood vessels of VR and CPR images at simulated heart rates: 50, 55, 57 and 60 beat per minute (bpm). As a result, the value of SD at both slab edges in SSP were 20.5% lower than middle part of slab and differences of value of SD were up to 4.4 between adjacent slab edges. Slice thickness of both slab edges were 20.3% thinner than that of the peripheral part of slab. At the border of the adjacent slab, the position of the simulated blood vessel was shifted. VR images of SSP at 57 bpm was indicated as the highest score and HS was significantly superior to SSP at 55 and 60 bpm (p<0.05). In CPR images, there were no significant differences at all simulated heart rates. In conclusion, we considered that VR images of SSP were influenced heart rates except 57 bpm (resonance case) and there was little difference of visibility for discontinuity of both CPR images obtained by SSP and HS.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, V.K.; Patel, A.S.; Sharma, A.

This paper presents the design of magnetic coil for relativistic magnetron (RM) for LIA (Linear Induction Accelerator)-400 systems. Vacuum improves the efficiency of RM for HPM generation. Magnetic field in RM is very critical parameter and should be nearly constant in the active region. Typical coils are helical in nature, which have multi turns of varying radius. Magnetic field calculation of such coils with basic equations of Helmholtz coils or solenoid with mean radius can only give estimation. Field computational softwares like CST require small mesh size and boundary at very far so consume large memory and take very muchmore » time. Helical coils are simplified such that the basic law of magnetic field calculation i.e. Bio-Savart law can be applied with less complexity. Pairs of spiral coils have been analyzed for magnetic field and Lorenz's force. The approach is field experimentally validated. (author)« less

The turn of the screw: an exercise in protein secondary structure.

PubMed

Pikaart, Michael

2011-01-01

An exercise using simple paper strips to illustrate protein helical and sheet secondary structures is presented. Drawing on the rich historical context of the use of physical models in protein biochemistry by early practitioners, in particular Linus Pauling, the purpose of this activity is to cultivate in students a hands-on, intuitive sense of protein secondary structure and to complement the common computer-based structural portrayals often used in teaching biochemistry. As students fold these paper strips into model secondary structures, they will better grasp how intramolecular hydrogen bonds form in the folding of a polypeptide into secondary structure, and how these hydrogen bonds direct the overall shape of helical and sheet structures, including the handedness of the α-helix and the difference between right- and the left-handed twist. Copyright © 2010 Wiley Periodicals, Inc.

Edge physics of the quantum spin Hall insulator from a quantum dot excited by optical absorption.

PubMed

Vasseur, Romain; Moore, Joel E

2014-04-11

The gapless edge modes of the quantum spin Hall insulator form a helical liquid in which the direction of motion along the edge is determined by the spin orientation of the electrons. In order to probe the Luttinger liquid physics of these edge states and their interaction with a magnetic (Kondo) impurity, we consider a setup where the helical liquid is tunnel coupled to a semiconductor quantum dot that is excited by optical absorption, thereby inducing an effective quantum quench of the tunneling. At low energy, the absorption spectrum is dominated by a power-law singularity. The corresponding exponent is directly related to the interaction strength (Luttinger parameter) and can be computed exactly using boundary conformal field theory thanks to the unique nature of the quantum spin Hall edge.

Equilibrium Reconstruction on the Large Helical Device

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samuel A. Lazerson, D. Gates, D. Monticello, H. Neilson, N. Pomphrey, A. Reiman S. Sakakibara, and Y. Suzuki

Equilibrium reconstruction is commonly applied to axisymmetric toroidal devices. Recent advances in computational power and equilibrium codes have allowed for reconstructions of three-dimensional fields in stellarators and heliotrons. We present the first reconstructions of finite beta discharges in the Large Helical Device (LHD). The plasma boundary and magnetic axis are constrained by the pressure profile from Thomson scattering. This results in a calculation of plasma beta without a-priori assumptions of the equipartition of energy between species. Saddle loop arrays place additional constraints on the equilibrium. These reconstruction utilize STELLOPT, which calls VMEC. The VMEC equilibrium code assumes good nested fluxmore » surfaces. Reconstructed magnetic fields are fed into the PIES code which relaxes this constraint allowing for the examination of the effect of islands and stochastic regions on the magnetic measurements.« less

Viability of Cross-Flow Fan with Helical Blades for Vertical Take-off and Landing Aircraft

DTIC Science & Technology

2012-09-01

fluid dynamics (CFD) software, ANSYS - CFX , a three-dimensional (3-D) straight-bladed model was validated against previous study’s experimental results...computational fluid dynamics software (CFD), ANSYS - CFX , a three-dimensional (3-D) straight-bladed model was validated against previous study’s experimental...37 B. SIZING PARAMETERS AND ILLUSTRATION ................................. 37 APPENDIX B. ANSYS CFX PARAMETERS

Structural analysis of a class III preQ 1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics

DOE PAGES

Liberman, Joseph A.; Suddala, Krishna C.; Aytenfisu, Asaminew; ...

2015-06-23

PreQ 1-III riboswitches are newly identified RNA elements that control bacterial genes in response to preQ 1 (7-aminomethyl-7-deazaguanine), a precursor to the essential hypermodified tRNA base queuosine. Although numerous riboswitches fold as H-type or HL out-type pseudoknots that integrate ligand-binding and regulatory sequences within a single folded domain, the preQ 1-III riboswitch aptamer forms a HL out-type pseudoknot that does not appear to incorporate its ribosome-binding site (RBS). To understand how this unusual organization confers function, in this paper we determined the crystal structure of the class III preQ 1 riboswitch from Faecalibacterium prausnitzii at 2.75 Å resolution. PreQ 1more » binds tightly (K D,app 6.5 ± 0.5 nM) between helices P1 and P2 of a three-way helical junction wherein the third helix, P4, projects orthogonally from the ligand-binding pocket, exposing its stem-loop to base pair with the 3' RBS. Biochemical analysis, computational modeling, and single-molecule FRET imaging demonstrated that preQ 1 enhances P4 reorientation toward P1–P2, promoting a partially nested, H-type pseudoknot in which the RBS undergoes rapid docking (k dock ~0.6 s -1) and undocking (k undock ~1.1 s -1). Finally, discovery of such dynamic conformational switching provides insight into how a riboswitch with bipartite architecture uses dynamics to modulate expression platform accessibility, thus expanding the known repertoire of gene control strategies used by regulatory RNAs.« less

Mass screening of multiple abdominal solid organs using mobile helical computed tomography scanner--a preliminary report.

PubMed

Ishikawa, Susumu; Aoki, Jun; Ohwada, Susumu; Takahashi, Toru; Morishita, Yasuo; Ueda, Keisuke

2007-04-01

The possibility of a new screening procedure for multiple abdominal solid organs using a mobile helical computed tomography (CT) scanner was evaluated. A total of 4,543 residents, who were 40 years of age or older, received CT scanning without contrast medium. The mean age of participants was 64 years including 2,022 males and 2,521 females. A total of 2,105 abnormal findings were uniquely detected in 1,594 participants. Liver and kidney diseases including ureter occupied around 30% of total abnormal findings, respectively. Besides frequent cystic or calcified lesions, solid tumours were suspected in 56 lesions, which received further examination by specialized physicians. Five (9%) of them were confirmed as being malignant tumours including pancreatic cancer in two patients, and liver, lung and ovary cancers in one patient each, respectively. All five patients with each malignant lesion received curative operations. Small-sized abdominal aortic aneurysms and heart valve diseases were uniquely found in 22 and two patients, respectively. Qualitative diagnoses of solid tumours were difficult using CT findings without contrast medium. CT screening procedures require further investigation in aspect of the selection of examinees, CT scanning procedure, sensitivity and specificity, and cost-effectiveness.

In situ data analytics and indexing of protein trajectories.

PubMed

Johnston, Travis; Zhang, Boyu; Liwo, Adam; Crivelli, Silvia; Taufer, Michela

2017-06-15

The transition toward exascale computing will be accompanied by a performance dichotomy. Computational peak performance will rapidly increase; I/O performance will either grow slowly or be completely stagnant. Essentially, the rate at which data are generated will grow much faster than the rate at which data can be read from and written to the disk. MD simulations will soon face the I/O problem of efficiently writing to and reading from disk on the next generation of supercomputers. This article targets MD simulations at the exascale and proposes a novel technique for in situ data analysis and indexing of MD trajectories. Our technique maps individual trajectories' substructures (i.e., α-helices, β-strands) to metadata frame by frame. The metadata captures the conformational properties of the substructures. The ensemble of metadata can be used for automatic, strategic analysis within a trajectory or across trajectories, without manually identify those portions of trajectories in which critical changes take place. We demonstrate our technique's effectiveness by applying it to 26.3k helices and 31.2k strands from 9917 PDB proteins and by providing three empirical case studies. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Wideband helicity dependent spoof surface plasmon polaritons coupling metasurface based on dispersion design.

PubMed

Dong, Guoxiang; Shi, Hongyu; He, Yuchen; Zhang, Anxue; Wei, Xiaoyong; Zhuang, Yongyong; Du, Bai; Xia, Song; Xu, Zhuo

2016-12-06

The surface plasmon polaritons (SPPs) have many potential application due to their local field enhancement and sub-wavelength characteristics. Recently, the gradient metasurface is introduced to couple the spoof SPPs in microwave frequency band. One of the most important issue which should be solved is the narrowband of spoof SPPs coupling on the gradient metasurface. Here, the metasurface is proposed to achieve the wideband helicity dependent directional spoof SPPs coupling for circular polarized light. Our research show that the coupling frequency of spoof SPPs on the gradient metasurface is determined by the dispersion of the metasurface, so the coupling frequency can be controlled by dispersion design. The careful design of each cell geometric parameters has provided many appropriate dispersion relations possessed by just one metasurface. The wave vector matching between the propagating wave and the spoof SPPs has been achieved at several frequencies for certain wave vector provided by the metasurface, which leads to wideband spoof SPPs coupling. This work has shown that wideband helicity dependent directional spoof SPPs coupling has been achieved with a high efficiency. Hence, the proposed wideband spoof SPPs coupling presents the improvement in practice applications.

Wideband helicity dependent spoof surface plasmon polaritons coupling metasurface based on dispersion design

PubMed Central

Dong, Guoxiang; Shi, Hongyu; He, Yuchen; Zhang, Anxue; Wei, Xiaoyong; Zhuang, Yongyong; Du, Bai; Xia, Song; Xu, Zhuo

2016-01-01

The surface plasmon polaritons (SPPs) have many potential application due to their local field enhancement and sub-wavelength characteristics. Recently, the gradient metasurface is introduced to couple the spoof SPPs in microwave frequency band. One of the most important issue which should be solved is the narrowband of spoof SPPs coupling on the gradient metasurface. Here, the metasurface is proposed to achieve the wideband helicity dependent directional spoof SPPs coupling for circular polarized light. Our research show that the coupling frequency of spoof SPPs on the gradient metasurface is determined by the dispersion of the metasurface, so the coupling frequency can be controlled by dispersion design. The careful design of each cell geometric parameters has provided many appropriate dispersion relations possessed by just one metasurface. The wave vector matching between the propagating wave and the spoof SPPs has been achieved at several frequencies for certain wave vector provided by the metasurface, which leads to wideband spoof SPPs coupling. This work has shown that wideband helicity dependent directional spoof SPPs coupling has been achieved with a high efficiency. Hence, the proposed wideband spoof SPPs coupling presents the improvement in practice applications. PMID:27922132

Comparison of orbital volume obtained by tomography and rapid prototyping.

PubMed

Roça, Guilherme Berto; Foggiatto, José Aguiomar; Ono, Maria Cecilia Closs; Ono, Sergio Eiji; da Silva Freitas, Renato

2013-11-01

This study aims to compare orbital volume obtained by helical tomography and rapid prototyping. The study sample was composed of 6 helical tomography scans. Eleven healthy orbits were identified to have their volumes measured. The volumetric analysis with the helical tomography utilized the same protocol developed by the Plastic Surgery Unit of the Federal University of Paraná. From the CT images, 11 prototypes were created, and their respective volumes were analyzed in 2 ways: using software by SolidWorks and by direct analysis, when the prototype was filled with saline solution. For statistical analysis, the results of the volumes of the 11 orbits were considered independent. The average orbital volume measurements obtained by the method of Ono et al was 20.51 cm, the average obtained by the SolidWorks program was 20.64 cm, and the average measured using the prototype method was 21.81 cm. The 3 methods demonstrated a strong correlation between the measurements. The right and left orbits of each patient had similar volumes. The tomographic method for the analysis of orbital volume using the Ono protocol yielded consistent values, and by combining this method with rapid prototyping, both reliability validations of results were enhanced.

Structural and functional characterization of a ubiquitin variant engineered for tight and specific binding to an alpha-helical ubiquitin interacting motif.

PubMed

Manczyk, Noah; Yates, Bradley P; Veggiani, Gianluca; Ernst, Andreas; Sicheri, Frank; Sidhu, Sachdev S

2017-05-01

Ubiquitin interacting motifs (UIMs) are short α-helices found in a number of eukaryotic proteins. UIMs interact weakly but specifically with ubiquitin conjugated to other proteins, and in so doing, mediate specific cellular signals. Here we used phage display to generate ubiquitin variants (UbVs) targeting the N-terminal UIM of the yeast Vps27 protein. Selections yielded UbV.v27.1, which recognized the cognate UIM with high specificity relative to other yeast UIMs and bound with an affinity more than two orders of magnitude higher than that of ubiquitin. Structural and mutational studies of the UbV.v27.1-UIM complex revealed the molecular details for the enhanced affinity and specificity of UbV.v27.1, and underscored the importance of changes at the binding interface as well as at positions that do not contact the UIM. Our study highlights the power of the phage display approach for selecting UbVs with unprecedented affinity and high selectivity for particular α-helical UIM domains within proteomes, and it establishes a general approach for the development of inhibitors targeting interactions of this type. © 2017 The Protein Society.

C-peptide inhibitors of Ebola virus glycoprotein-mediated cell entry: effects of conjugation to cholesterol and side chain-side chain crosslinking.

PubMed

Higgins, Chelsea D; Koellhoffer, Jayne F; Chandran, Kartik; Lai, Jonathan R

2013-10-01

We previously described potent inhibition of Ebola virus entry by a 'C-peptide' based on the GP2 C-heptad repeat region (CHR) targeted to endosomes ('Tat-Ebo'). Here, we report the synthesis and evaluation of C-peptides conjugated to cholesterol, and Tat-Ebo analogs containing covalent side chain-side chain crosslinks to promote α-helical conformation. We found that the cholesterol-conjugated C-peptides were potent inhibitors of Ebola virus glycoprotein (GP)-mediated cell entry (~10(3)-fold reduction in infection at 40 μM). However, this mechanism of inhibition is somewhat non-specific because the cholesterol-conjugated peptides also inhibited cell entry mediated by vesicular stomatitis virus glycoprotein G. One side chain-side chain crosslinked peptide had moderately higher activity than the parent compound Tat-Ebo. Circular dichroism revealed that the cholesterol-conjugated peptides unexpectedly formed a strong α-helical conformation that was independent of concentration. Side chain-side chain crosslinking enhanced α-helical stability of the Tat-Ebo variants, but only at neutral pH. These result provide insight into mechanisms of C-peptide inhibiton of Ebola virus GP-mediated cell entry. Copyright © 2013 Elsevier Ltd. All rights reserved.

Polymorphism in Bacterial Flagella Suspensions

NASA Astrophysics Data System (ADS)

Schwenger, Walter J.

Bacterial flagella are a type of biological polymer studied for its role in bacterial motility and the polymorphic transitions undertaken to facilitate the run and tumble behavior. The naturally rigid, helical shape of flagella gives rise to novel colloidal dynamics and material properties. This thesis studies methods in which the shape of bacterial flagella can be controlled using in vitro methods and the changes the shape of the flagella have on both single particle dynamics and bulk material properties. We observe individual flagellum in both the dilute and semidilute regimes to observe the effects of solvent condition on the shape of the filament as well as the effect the filament morphology has on reptation through a network of flagella. In addition, we present rheological measurements showing how the shape of filaments effects the bulk material properties of flagellar suspensions. We find that the individual particle dynamics in suspensions of flagella can vary with geometry from needing to reptate linearly via rotation for helical filaments to the prevention of long range diffusion for block copolymer filaments. Similarly, for bulk material properties of flagella suspensions, helical geometries show a dramatic enhancement in elasticity over straight filaments while block copolymers form an elastic gel without the aid of crosslinking agents.

A BPF-FBP tandem algorithm for image reconstruction in reverse helical cone-beam CT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, Seungryong; Xia, Dan; Pellizzari, Charles A.

2010-01-15

Purpose: Reverse helical cone-beam computed tomography (CBCT) is a scanning configuration for potential applications in image-guided radiation therapy in which an accurate anatomic image of the patient is needed for image-guidance procedures. The authors previously developed an algorithm for image reconstruction from nontruncated data of an object that is completely within the reverse helix. The purpose of this work is to develop an image reconstruction approach for reverse helical CBCT of a long object that extends out of the reverse helix and therefore constitutes data truncation. Methods: The proposed approach comprises of two reconstruction steps. In the first step, amore » chord-based backprojection-filtration (BPF) algorithm reconstructs a volumetric image of an object from the original cone-beam data. Because there exists a chordless region in the middle of the reverse helix, the image obtained in the first step contains an unreconstructed central-gap region. In the second step, the gap region is reconstructed by use of a Pack-Noo-formula-based filteredbackprojection (FBP) algorithm from the modified cone-beam data obtained by subtracting from the original cone-beam data the reprojection of the image reconstructed in the first step. Results: The authors have performed numerical studies to validate the proposed approach in image reconstruction from reverse helical cone-beam data. The results confirm that the proposed approach can reconstruct accurate images of a long object without suffering from data-truncation artifacts or cone-angle artifacts. Conclusions: They developed and validated a BPF-FBP tandem algorithm to reconstruct images of a long object from reverse helical cone-beam data. The chord-based BPF algorithm was utilized for converting the long-object problem into a short-object problem. The proposed approach is applicable to other scanning configurations such as reduced circular sinusoidal trajectories.« less

CCBuilder 2.0: Powerful and accessible coiled-coil modeling.

PubMed

Wood, Christopher W; Woolfson, Derek N

2018-01-01

The increased availability of user-friendly and accessible computational tools for biomolecular modeling would expand the reach and application of biomolecular engineering and design. For protein modeling, one key challenge is to reduce the complexities of 3D protein folds to sets of parametric equations that nonetheless capture the salient features of these structures accurately. At present, this is possible for a subset of proteins, namely, repeat proteins. The α-helical coiled coil provides one such example, which represents ≈ 3-5% of all known protein-encoding regions of DNA. Coiled coils are bundles of α helices that can be described by a small set of structural parameters. Here we describe how this parametric description can be implemented in an easy-to-use web application, called CCBuilder 2.0, for modeling and optimizing both α-helical coiled coils and polyproline-based collagen triple helices. This has many applications from providing models to aid molecular replacement for X-ray crystallography, in silico model building and engineering of natural and designed protein assemblies, and through to the creation of completely de novo "dark matter" protein structures. CCBuilder 2.0 is available as a web-based application, the code for which is open-source and can be downloaded freely. http://coiledcoils.chm.bris.ac.uk/ccbuilder2. We have created CCBuilder 2.0, an easy to use web-based application that can model structures for a whole class of proteins, the α-helical coiled coil, which is estimated to account for 3-5% of all proteins in nature. CCBuilder 2.0 will be of use to a large number of protein scientists engaged in fundamental studies, such as protein structure determination, through to more-applied research including designing and engineering novel proteins that have potential applications in biotechnology. © 2017 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

CCBuilder 2.0: Powerful and accessible coiled‐coil modeling

PubMed Central

Wood, Christopher W.

2017-01-01

Abstract The increased availability of user‐friendly and accessible computational tools for biomolecular modeling would expand the reach and application of biomolecular engineering and design. For protein modeling, one key challenge is to reduce the complexities of 3D protein folds to sets of parametric equations that nonetheless capture the salient features of these structures accurately. At present, this is possible for a subset of proteins, namely, repeat proteins. The α‐helical coiled coil provides one such example, which represents ≈ 3–5% of all known protein‐encoding regions of DNA. Coiled coils are bundles of α helices that can be described by a small set of structural parameters. Here we describe how this parametric description can be implemented in an easy‐to‐use web application, called CCBuilder 2.0, for modeling and optimizing both α‐helical coiled coils and polyproline‐based collagen triple helices. This has many applications from providing models to aid molecular replacement for X‐ray crystallography, in silico model building and engineering of natural and designed protein assemblies, and through to the creation of completely de novo “dark matter” protein structures. CCBuilder 2.0 is available as a web‐based application, the code for which is open‐source and can be downloaded freely. http://coiledcoils.chm.bris.ac.uk/ccbuilder2. Lay Summary We have created CCBuilder 2.0, an easy to use web‐based application that can model structures for a whole class of proteins, the α‐helical coiled coil, which is estimated to account for 3–5% of all proteins in nature. CCBuilder 2.0 will be of use to a large number of protein scientists engaged in fundamental studies, such as protein structure determination, through to more‐applied research including designing and engineering novel proteins that have potential applications in biotechnology. PMID:28836317

Absent Inferior Vena Cava Leading to Recurrent Lower Extremity Deep Vein Thrombosis in a United States Marine.

PubMed

Kim, Sang; Kunkel, Scott; Browske, Kristin

2018-01-01

Anomalies of the inferior vena cava (AIVC) are rare but well-recognized anatomic abnormalities that can lead to clinically significant deep vein thrombosis (DVT) in a subset of otherwise healthy patients. This report illustrates an uncommon congenital anomaly that military clinicians should consider when evaluating unprovoked DVT in young patients. Single case report and literature review. We describe a case of a 24-yr-old United States Marine who presented with abdominal pain for 2 wk. After conservative therapy failed, a contrast-enhanced abdominal computed tomography (CT) scan was performed. The CT scan revealed an absent inferior vena cava with evidence of right venous thrombophlebitis. We include four contrast-enhanced helical CT scans that illustrate this phenomenon. Due to the lack of available studies and data, we do not know the relative risk of DVT in patients with AIVC. However, the literature review suggests that there is a pro-thrombogenic effect of this congenital anomaly. Clinicians should include AIVC in their differential when treating young, otherwise healthy patients with unprovoked DVT. This population is much more likely to have an AIVC than the general population. In addition to thrombophilia markers, a contrast-enhanced CT scan should be considered as part of the initial workup. Published by Oxford University Press on behalf of the Association of Military Surgeons of the United States 2017. This work is written by (a) US Government employee(s) and is in the public domain in the US.

The complete influenza hemagglutinin fusion domain adopts a tight helical hairpin arrangement at the lipid:water interface.

PubMed

Lorieau, Justin L; Louis, John M; Bax, Ad

2010-06-22

All but five of the N-terminal 23 residues of the HA2 domain of the influenza virus glycoprotein hemagglutinin (HA) are strictly conserved across all 16 serotypes of HA genes. The structure and function of this HA2 fusion peptide (HAfp) continues to be the focus of extensive biophysical, computational, and functional analysis, but most of these analyses are of peptides that do not include the strictly conserved residues Trp(21)-Tyr(22)-Gly(23). The heteronuclear triple resonance NMR study reported here of full length HAfp of sero subtype H1, solubilized in dodecylphosphatidyl choline, reveals a remarkably tight helical hairpin structure, with its N-terminal alpha-helix (Gly(1)-Gly(12)) packed tightly against its second alpha-helix (Trp(14)-Gly(23)), with six of the seven conserved Gly residues at the interhelical interface. The seventh conserved Gly residue in position 13 adopts a positive angle, enabling the hairpin turn that links the two helices. The structure is stabilized by multiple interhelical C(alpha)H to C=O hydrogen bonds, characterized by strong interhelical H(N)-H(alpha) and H(alpha)-H(alpha) NOE contacts. Many of the previously identified mutations that make HA2 nonfusogenic are also incompatible with the tight antiparallel hairpin arrangement of the HAfp helices.(15)N relaxation analysis indicates the structure to be highly ordered on the nanosecond time scale, and NOE analysis indicates HAfp is located at the water-lipid interface, with its hydrophobic surface facing the lipid environment, and the Gly-rich side of the helix-helix interface exposed to solvent.

Computational study of the fibril organization of polyglutamine repeats reveals a common motif identified in beta-helices.

PubMed

Zanuy, David; Gunasekaran, Kannan; Lesk, Arthur M; Nussinov, Ruth

2006-04-21

The formation of fibril aggregates by long polyglutamine sequences is assumed to play a major role in neurodegenerative diseases such as Huntington. Here, we model peptides rich in glutamine, through a series of molecular dynamics simulations. Starting from a rigid nanotube-like conformation, we have obtained a new conformational template that shares structural features of a tubular helix and of a beta-helix conformational organization. Our new model can be described as a super-helical arrangement of flat beta-sheet segments linked by planar turns or bends. Interestingly, our comprehensive analysis of the Protein Data Bank reveals that this is a common motif in beta-helices (termed beta-bend), although it has not been identified so far. The motif is based on the alternation of beta-sheet and helical conformation as the protein sequence is followed from the N to the C termini (beta-alpha(R)-beta-polyPro-beta). We further identify this motif in the ssNMR structure of the protofibril of the amyloidogenic peptide Abeta(1-40). The recurrence of the beta-bend suggests a general mode of connecting long parallel beta-sheet segments that would allow the growth of partially ordered fibril structures. The design allows the peptide backbone to change direction with a minimal loss of main chain hydrogen bonds. The identification of a coherent organization beyond that of the beta-sheet segments in different folds rich in parallel beta-sheets suggests a higher degree of ordered structure in protein fibrils, in agreement with their low solubility and dense molecular packing.

Structure, Function, Self-Assembly and Origin of Simple Membrane Proteins

NASA Technical Reports Server (NTRS)

Pohorille, Andrew

2003-01-01

Integral membrane proteins perform such essential cellular functions as transport of ions, nutrients and waste products across cell walls, transduction of environmental signals, regulation of cell fusion, recognition of other cells, energy capture and its conversion into high-energy compounds. In fact, 30-40% of genes in modem organisms codes for membrane proteins. Although contemporary membrane proteins or their functional assemblies can be quite complex, their transmembrane fragments are usually remarkably simple. The most common structural motif for these fragments is a bundle of alpha-helices, but occasionally it could be a beta-barrel. In a series of molecular dynamics computer simulations we investigated self-organizing properties of simple membrane proteins based on these structural motifs. Specifically, we studied folding and insertion into membranes of short, nonpolar or amphiphatic peptides. We also investigated glycophorin A, a peptide that forms sequence-specific dimers, and a transmembrane aggregate of four identical alpha-helices that forms an efficient and selective voltage-gated proton channel was investigated. Many peptides are attracted to water-membrane interfaces. Once at the interface, nonpolar peptides spontaneously fold to a-helices. Whenever the sequence permits, peptides that contain both polar and nonpolar amino also adopt helical structures, in which polar and nonpolar amino acid side chains are immersed in water and membrane, respectively. Specific identity of side chains is less important. Helical peptides at the interface could insert into the membrane and adopt a transmembrane conformation. However, insertion of a single helix is unfavorable because polar groups in the peptide become completely dehydrated upon insertion. The unfavorable free energy of insertion can be regained by spontaneous association of peptides in the membrane. The first step in this process is the formation of dimers, although the most common are aggregates of 4-7 helices. The helices could arrange themselves such that they formed pores capable of transporting ions and small molecules across membranes. Stability of transmembrane aggregates of simple proteins is often only marginal and, therefore, it can be regulated by environmental signals or small sequence modifications in the region of interhelical interactions. A key step in the earliest evolution of membrane proteins was the emergence of selectivity for specific substrates. Many channels could become selective if one or only a few properly chosen amino acids are properly placed along the channel, acting as filters or gates. This is a convenient evolutionary solution because it does not require imposing conditions on the whole sequence.

Role of helicity in triad interactions in three-dimensional turbulence investigated by a new shell model

NASA Astrophysics Data System (ADS)

Rathmann, Nicholas M.; Ditlevsen, Peter D.

2016-09-01

Fully developed homogeneous isotropic turbulence in two dimensions is fundamentally different from that in three dimensions. In two dimensions, the simultaneous inviscid conservation of both kinetic energy and enstrophy within the inertial range of scales leads to a forward cascade of enstrophy and a reverse cascade of energy. In three dimensions, helicity, the integral of the scalar product of velocity and vorticity, is also an inviscid flow invariant along with the energy. Unlike the enstrophy, however, the helicity does not block the forward cascade of energy to small scales. Energy and helicity are conserved not only globally but also within each nonlinear triadic interaction between three plane waves in the spectral form of the Navier-Stokes equation (NSE). By decomposing each plane wave into two helical modes of opposite helicities, each triadic interaction is split into a set of eight helical triadic interactions between helical modes [F. Waleffe, Phys. Fluids A 4, 350 (1992), 10.1063/1.858309]. Recently it was found that a subset of these helical interactions, which render both signs of helicity separately conserved (enstrophy-like), leads to an inverse cascade of (part of) the energy [L. Biferale et al., Phys. Rev. Lett. 108, 164501 (2012), 10.1103/PhysRevLett.108.164501]. Motivated by this finding we introduce a new shell model, obtained from the NSE expressed in the helical basis, allowing the eight helical interactions to be coupled as in the NSE and their relative contributions evaluated as a function of both the net helicity input and triad geometry. By numerically integrating the new model, we find that the intermittency of the energy cascade decreases with the net helicity input. Studying the partitioning of the energy cascade between the eight helical interactions, we find that the decrease in intermittency is related to a shift in the dominating helical interactions when helically forced, two of which exhibit a larger cascade intermittency than the other six interactions. Among the relatively local triad geometries considered here, the partitioning of the energy and helicity cascades between the eight helical interactions shows no sign of change with triad geometry.

DNS of helicity-induced stratified turbulent flow

NASA Astrophysics Data System (ADS)

Chandy, Abhilash J.; Rahimi, Abbas

2013-11-01

Helical flows undergoing density stratification have wide applications in meteorological phenomena such as dust devils, tornadoes, and hurricanes due to the complexity and disasters caused by them. Direct numerical simulations (DNS) of transition to turbulence in a stably stratified Boussinesq fluid are presented for different rotation and stratification intensities. In order to understand the effect of velocity on the energy cascade, comparisons are made between helicity initiated and non-helical flows. Results show that stratification decelerates the helicity decay and causes velocity and vorticity to align with each other. With respect to the helical and non-helical flow comparisons, the total energy in the presence of stratification decays faster with helicity. In addition, the behavior of length scales were examined by comparing temporal variations of the vertical shearing of velocities. Results showed a growing asymmetry with time in the case of helical flow, while non-helical flow stayed close to begin symmetric.

Self-assembly of a double-helical complex of sodium.

PubMed

Bell, T W; Jousselin, H

1994-02-03

Spontaneous self-organization of helical and multiple-helical molecular structures occurs on several levels in living organisms. Key examples are alpha-helical polypeptides, double-helical nucleic acids and helical protein structures, including F-actin, microtubules and the protein sheath of the tobacco mosaic virus. Although the self-assembly of double-helical transition-metal complexes bears some resemblance to the molecular organization of double-stranded DNA, selection between monohelical, double-helical and triple-helical structures is determined largely by the size and geometrical preference of the tightly bound metal. Here we present an example of double-helical assembly induced by the weaker and non-directional interactions of an alkali-metal ion with an organic ligand that is pre-organized into a coil. We have characterized the resulting complex by two-dimensional NMR and fast-atom-bombardment mass spectrometry. These results provide a step toward the creation of molecular tubes or ion channels consisting of intertwined coils.

Magnetic design constraints of helical solenoids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lopes, M. L.; Krave, S. T.; Tompkins, J. C.

2015-01-30

Helical solenoids have been proposed as an option for a Helical Cooling Channel for muons in a proposed Muon Collider. Helical solenoids can provide the required three main field components: solenoidal, helical dipole, and a helical gradient. In general terms, the last two are a function of many geometric parameters: coil aperture, coil radial and longitudinal dimensions, helix period and orbit radius. In this paper, we present design studies of a Helical Solenoid, addressing the geometric tunability limits and auxiliary correction system.

Substrate effect on the room-temperature ferromagnetism in un-doped ZnO films

NASA Astrophysics Data System (ADS)

Zhan, Peng; Wang, Weipeng; Xie, Zheng; Li, Zhengcao; Zhang, Zhengjun; Zhang, Peng; Wang, Baoyi; Cao, Xingzhong

2012-07-01

Room-temperature ferromagnetism was achieved in un-doped ZnO films on silicon and quartz substrates. Photoluminescence measurement and positron annihilation analysis suggested that the ferromagnetism was originated from singly occupied oxygen vacancies (roughly estimated as ˜0.55 μB/vacancy), created in ZnO films by annealing in argon. The saturated magnetization of ZnO films was enhanced from ˜0.44 emu/g (on quartz) to ˜1.18 emu/g (on silicon) after annealing at 600 °C, as silicon acted as oxygen getter and created more oxygen vacancies in ZnO films. This study clarified the origin of ferromagnetism in un-doped ZnO and provides an idea to enhance the ferromagnetism.

Transition from Direct to Inverse Cascade in Three-Dimensional Turbulence

NASA Astrophysics Data System (ADS)

Sahoo, G.; Biferale, L.; Alexakis, A.

2017-12-01

Direction of energy transfer among the scales in a turbulent flow has asignificant role in the macroscopic properties of the flow. It has been arguedthat the dimensionality and the ideal invariants of the flow determine thedirection of the cascade of energy. Because of two sign definite invariants,energy and enstrophy, of two-dimensional turbulence, energy is transferredbackwards from small scales to larger scales and enstrophy is transferred tosmaller scales. However in three-dimensions, while energy is sign-definite, theother invariant helicity does not have a definite sign and therefore there isno constraint on the direction of transfer. It is merely an empiricalobservation that the energy and helicity cascade to the smaller scales in athree-dimensional turbulent flow. Many systems, however, show bidirectionalsplit energy transfer, e.g., flows under strong rotation and stratification, inthin layers or under external magnetic field. The appearance of inverse energyflux in such systems are often considered as a result of enhancement ofquasi-2D Fourier interactions in a 3D background. We designed a model system[1] where the triadic interactions in Navier-Stokes equations are enhanced orsuppressed in a controlled manner without affecting the degrees of freedom,ideal invariants or breaking any of the symmetries of NSE. In our numericalsimulations that uses the tool of helical decomposition of velocity Fouriermodes, we introduced a parameter (0 ≤ λ ≤ 1) that controls therelative weight among homochiral triads and all the others in the nonlinearevolution. We show that by using this weighting protocol the turbulentevolution displays a sharp transition, for a critical value of the controlparameter, from forward to backward energy transfer but still keeping thedynamics fully three dimensional, isotropic, and parity invariant. [1] G Sahoo, A Alexakis and L Biferale, Phys. Rev. Lett. 118, 164501 (2017).

Protein-membrane interaction and fatty acid transfer from intestinal fatty acid-binding protein to membranes. Support for a multistep process.

PubMed

Falomir-Lockhart, Lisandro J; Laborde, Lisandro; Kahn, Peter C; Storch, Judith; Córsico, Betina

2006-05-19

Fatty acid transfer from intestinal fatty acid-binding protein (IFABP) to phospholipid membranes occurs during protein-membrane collisions. Electrostatic interactions involving the alpha-helical "portal" region of the protein have been shown to be of great importance. In the present study, the role of specific lysine residues in the alpha-helical region of IFABP was directly examined. A series of point mutants in rat IFABP was engineered in which the lysine positive charges in this domain were eliminated or reversed. Using a fluorescence resonance energy transfer assay, we analyzed the rates and mechanism of fatty acid transfer from wild type and mutant proteins to acceptor membranes. Most of the alpha-helical domain mutants showed slower absolute fatty acid transfer rates to zwitterionic membranes, with substitution of one of the lysines of the alpha2 helix, Lys27, resulting in a particularly dramatic decrease in the fatty acid transfer rate. Sensitivity to negatively charged phospholipid membranes was also reduced, with charge reversal mutants in the alpha2 helix the most affected. The results support the hypothesis that the portal region undergoes a conformational change during protein-membrane interaction, which leads to release of the bound fatty acid to the membrane and that the alpha2 segment is of particular importance in the establishment of charge-charge interactions between IFABP and membranes. Cross-linking experiments with a phospholipid-photoactivable reagent underscored the importance of charge-charge interactions, showing that the physical interaction between wild-type intestinal fatty acid-binding protein and phospholipid membranes is enhanced by electrostatic interactions. Protein-membrane interactions were also found to be enhanced by the presence of ligand, suggesting different collisional complex structures for holo- and apo-IFABP.

The effects of the stellar wind and orbital motion on the jets of high-mass microquasars

NASA Astrophysics Data System (ADS)

Bosch-Ramon, V.; Barkov, M. V.

2016-05-01

Context. High-mass microquasar jets propagate under the effect of the wind from the companion star, and the orbital motion of the binary system. The stellar wind and the orbit may be dominant factors determining the jet properties beyond the binary scales. Aims: This is an analytical study, performed to characterise the effects of the stellar wind and the orbital motion on the jet properties. Methods: Accounting for the wind thrust transferred to the jet, we derive analytical estimates to characterise the jet evolution under the impact of the stellar wind. We include the Coriolis force effect, induced by orbital motion and enhanced by the wind's presence. Large-scale evolution of the jet is sketched, accounting for wind-to-jet thrust transfer, total energy conservation, and wind-jet flow mixing. Results: If the angle of the wind-induced jet bending is larger than its half-opening angle, the following is expected: (I) a strong recollimation shock; (II) bending against orbital motion, caused by Coriolis forces and enhanced by the wind presence; and (III) non-ballistic helical propagation further away. Even if disrupted, the jet can re-accelerate due to ambient pressure gradients, but wind entrainment can weaken this acceleration. On large scales, the opening angle of the helical structure is determined by the wind-jet thrust relation, and the wind-loaded jet flow can be rather slow. Conclusions: The impact of stellar winds on high-mass microquasar jets can yield non-ballistic helical jet trajectories, jet partial disruption and wind mixing, shocks, and possibly non-thermal emission. Among other observational diagnostics, such as radiation variability at any band, the radio morphology on milliarcsecond scales can be informative on the wind-jet interaction.

Selective suppression of high-order harmonics within phase-matched spectral regions.

PubMed

Lerner, Gavriel; Diskin, Tzvi; Neufeld, Ofer; Kfir, Ofer; Cohen, Oren

2017-04-01

Phase matching in high-harmonic generation leads to enhancement of multiple harmonics. It is sometimes desired to control the spectral structure within the phase-matched spectral region. We propose a scheme for selective suppression of high-order harmonics within the phase-matched spectral region while weakly influencing the other harmonics. The method is based on addition of phase-mismatched segments within a phase-matched medium. We demonstrate the method numerically in two examples. First, we show that one phase-mismatched segment can significantly suppress harmonic orders 9, 15, and 21. Second, we show that two phase-mismatched segments can efficiently suppress circularly polarized harmonics with one helicity over the other when driven by a bi-circular field. The new method may be useful for various applications, including the generation of highly helical bright attosecond pulses.

Rotational 3D printing of damage-tolerant composites with programmable mechanics

PubMed Central

Raney, Jordan R.; Compton, Brett G.; Ober, Thomas J.; Shea, Kristina; Lewis, Jennifer A.

2018-01-01

Natural composites exhibit exceptional mechanical performance that often arises from complex fiber arrangements within continuous matrices. Inspired by these natural systems, we developed a rotational 3D printing method that enables spatially controlled orientation of short fibers in polymer matrices solely by varying the nozzle rotation speed relative to the printing speed. Using this method, we fabricated carbon fiber–epoxy composites composed of volume elements (voxels) with programmably defined fiber arrangements, including adjacent regions with orthogonally and helically oriented fibers that lead to nonuniform strain and failure as well as those with purely helical fiber orientations akin to natural composites that exhibit enhanced damage tolerance. Our approach broadens the design, microstructural complexity, and performance space for fiber-reinforced composites through site-specific optimization of their fiber orientation, strain, failure, and damage tolerance. PMID:29348206

Helical localized wave solutions of the scalar wave equation.

PubMed

Overfelt, P L

2001-08-01

A right-handed helical nonorthogonal coordinate system is used to determine helical localized wave solutions of the homogeneous scalar wave equation. Introducing the characteristic variables in the helical system, i.e., u = zeta - ct and v = zeta + ct, where zeta is the coordinate along the helical axis, we can use the bidirectional traveling plane wave representation and obtain sets of elementary bidirectional helical solutions to the wave equation. Not only are these sets bidirectional, i.e., based on a product of plane waves, but they may also be broken up into right-handed and left-handed solutions. The elementary helical solutions may in turn be used to create general superpositions, both Fourier and bidirectional, from which new solutions to the wave equation may be synthesized. These new solutions, based on the helical bidirectional superposition, are members of the class of localized waves. Examples of these new solutions are a helical fundamental Gaussian focus wave mode, a helical Bessel-Gauss pulse, and a helical acoustic directed energy pulse train. Some of these solutions have the interesting feature that their shape and localization properties depend not only on the wave number governing propagation along the longitudinal axis but also on the normalized helical pitch.

Dosimetric aspects of breast radiotherapy with three-dimensional and intensity-modulated radiotherapy helical tomotherapy planning modules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, Poonam; Service of Radiation Therapy, University of Wisconsin Aspirus Cancer Center, Wisconsin Rapids, WI; Yan, Yue, E-mail: yyan5@mdanderson.org

In this work, we investigated the dosimetric differences between the intensity-modulated radiotherapy (IMRT) plans and the three-dimensional (3D) helical plans based on the TomoTherapy system. A total of 15 patients with supine setup were randomly selected from the data base. For patients with lumpectomy planning target volume (PTV), regional lymph nodes were also included as part of the target. For dose sparing, the significant differences between the helical IMRT and helical 3D were only found in the heart and contralateral breast. For the dose to the heart, helical IMRT reduced the maximum point dose by 6.98 Gy compared to themore » helical 3D plan (p = 0.01). For contralateral breast, the helical IMRT plans significantly reduced the maximum point dose by 5.6 Gy compared to the helical 3D plan. However, compared to the helical 3D plan, the helical IMRT plan increased the volume for lower dose (13.08% increase in V{sub 5} {sub Gy}, p = 0.01). In general, there are no significant differences in dose sparing between helical IMRT and helical 3D plans.« less

Modelling of DNA-protein recognition

NASA Technical Reports Server (NTRS)

Rein, R.; Garduno, R.; Colombano, S.; Nir, S.; Haydock, K.; Macelroy, R. D.

1980-01-01

Computer model-building procedures using stereochemical principles together with theoretical energy calculations appear to be, at this stage, the most promising route toward the elucidation of DNA-protein binding schemes and recognition principles. A review of models and bonding principles is conducted and approaches to modeling are considered, taking into account possible di-hydrogen-bonding schemes between a peptide and a base (or a base pair) of a double-stranded nucleic acid in the major groove, aspects of computer graphic modeling, and a search for isogeometric helices. The energetics of recognition complexes is discussed and several models for peptide DNA recognition are presented.

Impact of hydrodynamic stresses on bacterial flagella

NASA Astrophysics Data System (ADS)

Das, Debasish; Riley, Emily; Lauga, Eric

2017-11-01

The locomotion of bacteria powered by helical filaments, such as Escherichia coli, critically involves the generation of flows and hydrodynamic stresses which lead to forces and moments balanced by the moment applied by the bacterial rotary motor (which is embedded in the cell wall) and the deformation of the short flexible hook. In this talk we use numerical computations to accurately compute these hydrodynamic stresses, to show how they critically lead to fluid-structure instabilities at the whole-cell level, and enquire if they can be used to rationalise experimental measurements of bacterial motor torques. ERC Consolidator Grant.

Flow characteristics in narrowed coronary bypass graft

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernad, S. I.; Bosioc, A.; Totorean, A. F.

2016-06-08

Tortuous saphenous vein graft (SVG) hemodynamics was investigated using computational fluid dynamics (CFD) techniques. Computed tomography (CT) technology is used for non-invasive bypass graft assessment 7 days after surgery. CT investigation shown two regions with severe shape remodelling first is an elbow type contortion and second is a severe curvature with tortuous area reduction. In conclusion, the helical flow induced by vessel torsion may stabilize the blood flow in the distal part of the SVG, reducing the flow disturbance and suppressing the flow separation, but in the distal end of the graft, promote the inflammatory processes in the vessels.

Structural Analysis of a β-Helical Protein Motif Stabilized by Targeted Replacements with Conformationally Constrained Amino Acids

PubMed Central

Ballano, Gema; Zanuy, David; Jiménez, Ana I.; Cativiela, Carlos; Nussinov, Ruth; Alemán, Carlos

2009-01-01

Here we study conformational stabilization induced in a β-helical nanostructure by position-specific mutations. The nanostructure is constructed through the self-assembly of the β-helical building block excised from E. coli galactoside acetyltransferase (PDB code 1krr, chain A; residues 131-165). The mutations involve substitutions by cyclic, conformationally constrained amino acids. Specifically, a complete structural analysis of the Pro-Xaa-Val sequence [with Xaa being Gly, Ac3c (1-aminocyclopropane-1-carboxylic acid) and Ac5c (1-aminocyclopentane-1-carboxylic acid)], corresponding to the 148-150 loop region in the wild-type (Gly) and mutated (Ac3c and Ac5c) 1krr, has been performed using Molecular Dynamics simulations and X-ray crystallography. Simulations have been performed for the wild-type and mutants of three different systems, namely the building block, the nanoconstruct and the isolated Pro-Xaa-Val tripeptide. Furthermore, the crystalline structures of five peptides of Pro-Xaa-Val or Xaa-Val sequences have been solved by X-ray diffraction analysis and compared with theoretical predictions. Both the theoretical and crystallographic studies indicate that the Pro-Acnc-Val sequences exhibit a high propensity to adopt turn-like conformations, and this propensity is little affected by the chemical environment. Overall, the results indicate that replacement of Gly149 by Ac3c or Ac5c significantly reduce the conformational flexibility of the target site enhancing the structural specificity of the building block and the nanoconstruct derived from the 1krr β-helical motif. PMID:18811190

Interplay between negative and positive design elements in Gα helical domains of G proteins determines interaction specificity towards RGS2.

PubMed

Kasom, Mohammad; Gharra, Samia; Sadiya, Isra; Avital-Shacham, Meirav; Kosloff, Mickey

2018-06-20

Regulators of G protein Signaling (RGS) proteins inactivate Gα subunits, thereby controling G protein-coupled signaling networks. Among all RGS proteins, RGS2 is unique in interacting only with the Gα q and not with the Gα i sub-family. Previous studies suggested that this specificity is determined by the RGS domain, and in particular by three RGS2-specific residues that lead to a unique mode of interaction with Gα q This interaction was further proposed to act through contacts with the Gα GTPase domain. Here, we combined energy calculations and GTPase activity measurements to determine which Gα residues dictate specificity toward RGS2. We identified putative specificity-determining residues in the Gα helical domain, which among G proteins is found only in Gα subunits. Replacing these helical domain residues in Gα i with their Gα q counterparts resulted in a dramatic specificity-switch towards RGS2. We further show that Gα-RGS2 specificity is set by Gα i residues that perturb interactions with RGS2, and by Gα q residues that enhance these interactions. These results show, for the first time, that the Gα helical domain is central to dictating specificity towards RGS2, suggesting this domain plays a general role in governing Gα-RGS specificity. Our insights provide new options for manipulating RGS-G protein interactions in vivo , for better understanding of their "wiring" into signaling networks, and for devising novel drugs targeting such interactions. ©2018 The Author(s).

Structure-activity relationship of HP (2-20) analog peptide: enhanced antimicrobial activity by N-terminal random coil region deletion.

PubMed

Park, Yoonkyung; Park, Seong-Cheol; Park, Hae-Kyun; Shin, Song Yub; Kim, Yangmee; Hahm, Kyung-Soo

2007-01-01

HP (2-20) (AKKVFKRLEKLFSKIQNDK) is a 19-aa antimicrobial peptide derived from N-terminus of Helicobacter pylori Ribosomal protein L1 (RpL1). In the previous study, several analogs with amino acid substitutions were designed to increase or decrease only the net hydrophobicity. In particular, substitutions of Gln(16) and Asp(18) with Trp (Anal 3) for hydrophobic amino acid caused a dramatic increase in antibiotic activity without a hemolytic effect. HP-A3 is a potent antimicrobial peptide that forms, in a hydrophobic medium, an amphipathic structure consisting of an N-terminal random coil region (residues 2-5) and extended C-terminal regular alpha-helical region (residues 6-20). To obtain the short and potent alpha-helical antimicrobial peptide, we synthesized a N-terminal random coil deleted HP-A3 (A3-NT) and examined their antimicrobial activity and mechanism of action. The resulting 15mer peptide showed increased antibacterial and antifungal activity to 2- and 4-fold, respectively, without hemolysis. Confocal fluorescence microscopy studies showed that A3-NT was accumulated in the plasma membrane. Flow cytometric analysis revealed that A3-NT acted in salt- and energy-independent manner. Furthermore, A3-NT causes significant morphological alterations of the bacterial surfaces as shown by scanning electron microscopy. Circular dichroism (CD) analysis revealed that A3-NT showed higher alpha-helical contents than the HP-A3 peptide in 50% TFE solution. Therefore, the cell-lytic efficiency of HP-A3, which depended on the alpha-helical content of peptide, correlated linearly with their antimicrobial potency.

Use of computed tomography renal angiography for screening feline renal transplant donors.

PubMed

Bouma, Jennifer L; Aronson, Lillian R; Keith, Dennis G; Saunders, H Mark

2003-01-01

Preoperative knowledge of the renal vascular anatomy is important for selection of the appropriate feline renal donor. Intravenous urograms (IVUs) have been performed routinely to screen potential donors at the Veterinary Hospital of the University of Pennsylvania (VHUP), but the vascular phase views lack sufficient detail of the renal vascular anatomy. Computed tomography angiography (CTA), which requires a helical computed tomography (CT) scanner, has been found to provide superior renal vascular anatomic information of prospective human renal donors. The specific aims of this study were as follows: 1) develop the CTA technique for the feline patient; and 2) obtain preliminary information on feline renal vessel anatomy in potential renal donors. Ten healthy, potential feline renal donors were anesthetized and imaged using a third-generation helical CT scanner. The time delay between i.v. contrast medium injection and image acquisition, and other parameters of slice collimation, slice interval, pitch, exposure settings, and reconstruction algorithms were varied to maximize contrast medium opacification of the renal vascular anatomy. Optimal CTA acquisition parameters were determined to be: 1) 10-sec delay post-i.v. bolus of iodinated contrast medium; 2) two serially acquired (corresponding to arterial and venous phases) helical scans through the renal vasculature; 3) pitch of 2 (4 mm/sec patient translation, 2 mm slice collimation); and 4) 120-kVp, 160-mA, and 1-sec exposure settings. Retrospective reconstructed CTA transverse images obtained at a 2-mm slice width and a 1-mm slice interval in combination with two-dimensional reformatted images and three-dimensional reconstructed images were qualitatively evaluated for vascular anatomy; vascular anatomy was confirmed at surgery. Four cats had single renal arteries and veins bilaterally; four cats had double renal veins. One cat had a small accessory artery supplying the caudal pole of the left kidney. One cat had a left renal artery originating from the aorta at a 90 degrees angle with the cranial mesenteric artery. CTA of the feline renal vascular anatomy is feasible, and reconstruction techniques provide excellent anatomic vascular detail. CTA is now used routinely at VHUP to screen all potential feline renal donors.

An in-silico method for identifying aggregation rate enhancer and mitigator mutations in proteins.

PubMed

Rawat, Puneet; Kumar, Sandeep; Michael Gromiha, M

2018-06-24

Newly synthesized polypeptides must pass stringent quality controls in cells to ensure appropriate folding and function. However, mutations, environmental stresses and aging can reduce efficiencies of these controls, leading to accumulation of protein aggregates, amyloid fibrils and plaques. In-vitro experiments have shown that even single amino acid substitutions can drastically enhance or mitigate protein aggregation kinetics. In this work, we have collected a dataset of 220 unique mutations in 25 proteins and classified them as enhancers or mitigators on the basis of their effect on protein aggregation rate. The data were analyzed via machine learning to identify features capable of distinguishing between aggregation rate enhancers and mitigators. Our initial Support Vector Machine (SVM) model separated such mutations with an overall accuracy of 69%. When local secondary structures at the mutation sites were considered, the accuracies further improved by 13-15%. The machine-learnt features are distinct for each secondary structure class at mutation sites. Protein stability and flexibility changes are important features for mutations in α-helices. β-strand propensity, polarity and charge become important when mutations occur in β-strands and ability to form secondary structure, helical tendency and aggregation propensity are important for mutations lying in coils. These results have been incorporated into a sequence-based algorithm (available at http://www.iitm.ac.in/bioinfo/aggrerate-disc/) capable of predicting whether a mutation will enhance or mitigate a protein's aggregation rate. This algorithm will find several applications towards understanding protein aggregation in human diseases, enable in-silico optimization of biopharmaceuticals and enzymes for improved biophysical attributes and de novo design of bio-nanomaterials. Copyright © 2018. Published by Elsevier B.V.

Experimental Study of Magnetic Field Production and Dielectric Breakdown of Auto-Magnetizing Liners

NASA Astrophysics Data System (ADS)

Shipley, Gabriel; Awe, Thomas; Hutchinson, Trevor; Hutsel, Brian; Slutz, Stephen; Lamppa, Derek

2017-10-01

AutoMag liners premagnetize the fuel in MagLIF targets and provide enhanced x-ray diagnostic access and increased current delivery without requiring external field coils. AutoMag liners are composite liners made with discrete metallic helical conduction paths separated by insulating material. First, a low dI/dt ``foot'' current pulse (1 MA in 100 ns) premagnetizes the fuel. Next, a higher dI/dt pulse with larger induced electric field initiates breakdown on the composite liner's; surface, switching the current from helical to axial to implode the liner. Experiments on MYKONOS have tested the premagnetization and breakdown phases of AutoMag and demonstrate axial magnetic fields above 90 Tesla for a 550 kA peak current pulse. Electric fields of 17 MV/m have been generated before breakdown. AutoMag may enhance MagLIF performance by increasing the premagnetization strength significantly above 30 T, thus reducing thermal-conduction losses and mitigating anomalous diffusion of magnetic field out of hotter fuel regions, by, for example, the Nernst thermoelectric effect. This project was funded in part by Sandia's Laboratory Directed Research and Development Program (Projects No. 200169 and 195306).

Double quick, double click reversible peptide "stapling".

PubMed

Grison, Claire M; Burslem, George M; Miles, Jennifer A; Pilsl, Ludwig K A; Yeo, David J; Imani, Zeynab; Warriner, Stuart L; Webb, Michael E; Wilson, Andrew J

2017-07-01

The development of constrained peptides for inhibition of protein-protein interactions is an emerging strategy in chemical biology and drug discovery. This manuscript introduces a versatile, rapid and reversible approach to constrain peptides in a bioactive helical conformation using BID and RNase S peptides as models. Dibromomaleimide is used to constrain BID and RNase S peptide sequence variants bearing cysteine (Cys) or homocysteine ( h Cys) amino acids spaced at i and i + 4 positions by double substitution. The constraint can be readily removed by displacement of the maleimide using excess thiol. This new constraining methodology results in enhanced α-helical conformation (BID and RNase S peptide) as demonstrated by circular dichroism and molecular dynamics simulations, resistance to proteolysis (BID) as demonstrated by trypsin proteolysis experiments and retained or enhanced potency of inhibition for Bcl-2 family protein-protein interactions (BID), or greater capability to restore the hydrolytic activity of the RNAse S protein (RNase S peptide). Finally, use of a dibromomaleimide functionalized with an alkyne permits further divergent functionalization through alkyne-azide cycloaddition chemistry on the constrained peptide with fluorescein, oligoethylene glycol or biotin groups to facilitate biophysical and cellular analyses. Hence this methodology may extend the scope and accessibility of peptide stapling.

The Origins of Transmembrane Ion Channels

NASA Technical Reports Server (NTRS)

Pohorille, Andrew; Wilson, Michael A.

2012-01-01

Even though membrane proteins that mediate transport of ions and small molecules across cell walls are among the largest and least understood biopolymers in contemporary cells, it is still possible to shed light on their origins and early evolution. The central observation is that transmembrane portions of most ion channels are simply bundles of -helices. By combining results of experimental and computer simulation studies on synthetic models and natural channels, mostly of non-genomic origin, we show that the emergence of -helical channels was protobiologically plausible, and did not require highly specific amino acid sequences. Despite their simple structure, such channels could possess properties that, at the first sight, appear to require markedly larger complexity. Specifically, we explain how the antiamoebin channels, which are made of identical helices, 16 amino acids in length, achieve efficiency comparable to that of highly evolved channels. We further show that antiamoebin channels are extremely flexible, compared to modern, genetically coded channels. On the basis of our results, we propose that channels evolved further towards high structural complexity because they needed to acquire stable rigid structures and mechanisms for precise regulation rather than improve efficiency. In general, even though architectures of membrane proteins are not nearly as diverse as those of water-soluble proteins, they are sufficiently flexible to adapt readily to the functional demands arising during evolution.

Circularly-polarized, semitransparent and double-sided holograms based on helical photonic structures.

PubMed

Kobashi, Junji; Yoshida, Hiroyuki; Ozaki, Masanori

2017-11-28

Recent advances in nanofabrication techniques are opening new frontiers in holographic devices, with the capability to integrate various optical functions in a single device. However, while most efficient holograms are achieved in reflection-mode configurations, they are in general opaque because of the reflective substrate that must be used, and therefore, have limited applicability. Here, we present a semi-transparent, reflective computer-generated hologram that is circularly-polarization dependent, and reconstructs different wavefronts when viewed from different sides. The integrated functionality is realized using a single thin-film of liquid crystal with a self-organized helical structure that Bragg reflects circularly-polarized light over a certain band of wavelengths. Asymmetry depending on the viewing side is achieved by exploiting the limited penetration depth of light in the helical structure as well as the nature of liquid crystals to conform to different orientational patterns imprinted on the two substrates sandwiching the material. Also, because the operation wavelength is determined by the reflection band position, pseudo-color holograms can be made by simply stacking layers with different designs. The unique characteristics of this hologram may find applications in polarization-encoded security holograms and see-through holographic signage where different information need to be displayed depending on the viewing direction.

Neutrino quantum kinetic equations: The collision term

DOE PAGES

Blaschke, Daniel N.; Cirigliano, Vincenzo

2016-08-01

We derive the collision term relevant for neutrino quantum kinetic equations in the early universe and compact astrophysical objects, displaying its full matrix structure in both flavor and spin degrees of freedom. We include in our analysis neutrino-neutrino processes, scattering and annihilation with electrons and positrons, and neutrino scattering off nucleons (the latter in the low-density limit). After presenting the general structure of the collision terms, we take two instructive limiting cases. The one-flavor limit highlights the structure in helicity space and allows for a straightforward interpretation of the off-diagonal entries in terms of the product of scattering amplitudes ofmore » the two helicity states. As a result, the isotropic limit is relevant for studies of the early universe: in this case the terms involving spin coherence vanish and the collision term can be expressed in terms of two-dimensional integrals, suitable for computational implementation.« less

Study of an expanding magnetic cloud

NASA Astrophysics Data System (ADS)

Nakwacki, M. S.; Dasso, S.; Mandrini, C. H.; Démoulin, P.

Magnetic Clouds (MCs) transport into the interplanetary medium the magnetic flux and helicity released in coronal mass ejections by the Sun. At 1 AU from the Sun, MCs are generally modelled as static flux ropes. However, the velocity profile of some MCs presents signatures of expansion. We analise here the magnetic structure of an expanding magnetic cloud observed by Wind spacecraft. We consider a dynamical model, based on a self-similar behaviour for the cloud radial velocity. We assume a free expansion for the cloud, and a cylindrical linear force free field (i.e., the Lundquist's field) as the initial condition for its magnetic configuration. We derive theoretical expressions for the magnetic flux across a surface perpendicular to the cloud axis, for the magnetic helicity and magnetic energy per unit length along the tube using the self-similar model. Finally, we compute these magntitudes with the fitted parameters. FULL TEXT IN SPANISH

Magnetohydrodynamic simulations of noninductive helicity injection in the reversed-field pinch and tokamak

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sovinec, Carl R.

1995-11-01

Numerical computation is used to investigate resistive magnetohydrodynamic (MHD) fluctuations in the reversed-field pinch (RFP) and in tokamak-like configurations driven solely by direct current (DC) helicity injection. A Lundquist number (S) scan of RFP turbulence without plasma pressure produces the weak scaling of S -0.18 for the root-mean-square magnetic fluctuation level for 2.5x10 3≤S≤4x10 4. The temporal behavior of fluctuations and the reversal parameter becomes more regular as S is increased, acquiring a "sawtooth" shape at the largest value of S. Simulations with plasma pressure and anisotropic thermal conduction demonstrate energy transport resulting from parallel heat fluctuations. To investigate meansmore » of improving RFP energy confinement, three forms of current profile modification are tested. Radio frequency (RF) current drive is modeled with an auxiliary electron force, and linear stability calculations are used.« less

The Complex Dynamics of the Precessing Vortex Rope in a Straight Diffuser

NASA Astrophysics Data System (ADS)

Stuparu, Adrian; Susan-Resiga, Romeo

2016-11-01

The decelerated swirling flow in the discharge cone of Francis turbines operated at partial discharge develops a self-induced instability with a precessing helical vortex (vortex rope). In an axisymmetric geometry, this phenomenon is expected to generate asynchronous pressure fluctuations as a result of the precessing motion. However, numerical and experimental data indicate that synchronous (plunging) fluctuations, with a frequency lower than the precessing frequency, also develops as a result of helical vortex filament dynamics. This paper presents a quantitative approach to describe the precessing vortex rope by properly fitting a three-dimensional logarithmic spiral model with the vortex filament computed from the velocity gradient tensor. We show that the slope coefficient of either curvature or torsion radii of the helix is a good indicator for the vortex rope dynamics, and it supports the stretching - breaking up - bouncing back mechanism that may explain the plunging oscillations.

Computational Prediction and Rationalization, and Experimental Validation of Handedness Induction in Helical Aromatic Oligoamide Foldamers.

PubMed

Liu, Zhiwei; Hu, Xiaobo; Abramyan, Ara M; Mészáros, Ádám; Csékei, Márton; Kotschy, András; Huc, Ivan; Pophristic, Vojislava

2017-03-13

Metadynamics simulations were used to describe the conformational energy landscapes of several helically folded aromatic quinoline carboxamide oligomers bearing a single chiral group at either the C or N terminus. The calculations allowed the prediction of whether a helix handedness bias occurs under the influence of the chiral group and gave insight into the interactions (sterics, electrostatics, hydrogen bonds) responsible for a particular helix sense preference. In the case of camphanyl-based and morpholine-based chiral groups, experimental data confirming the validity of the calculations were already available. New chiral groups with a proline residue were also investigated and were predicted to induce handedness. This prediction was verified experimentally through the synthesis of proline-containing monomers, their incorporation into an oligoamide sequence by solid phase synthesis and the investigation of handedness induction by NMR spectroscopy and circular dichroism. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computerized Generation and Simulation of Meshing and Contact of New Type of Novikov-Wildhaber Helical Gears

NASA Technical Reports Server (NTRS)

Litvin, Faydor L.; Feng, Pin-Hao; Lagutin, Sergei A.

2000-01-01

In this report, we propose a new geometry for low-noise, increased-strength helical gears of the Novikov-Wildhaber type. Contact stresses are reduced as a result of their convex-concave gear tooth surfaces. The gear tooth surfaces are crowned in the profile direction to localize bearing contact and in the longitudinal direction to obtain a parabolic function of transmission errors. Such a function results in the reduction of noise and vibrations. Methods for the generation of the proposed gear tooth surfaces by grinding and hobbing are considered, and a tooth contact analysis (TCA) computer program to simulate meshing and contact is applied. The report also investigates the influence of misalignment on transmission errors and shift of bearing contact. Numerical examples to illustrate the developed approaches are proposed. The proposed geometry was patented by Ford/UIC (Serial Number 09-340-824, pending) on June 28, 1999.

Roles of effective helical ripple rates in nonlinear stability of externally induced magnetic islands

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nishimura, Seiya, E-mail: n-seiya@kobe-kosen.ac.jp

Magnetic islands are externally produced by resonant magnetic perturbations (RMPs) in toroidal plasmas. Spontaneous annihilation of RMP-induced magnetic islands called self-healing has been observed in helical systems. A possible mechanism of the self-healing is shielding of RMP penetration by helical ripple-induced neoclassical flows, which give rise to neoclassical viscous torques. In this study, effective helical ripple rates in multi-helicity helical systems are revisited, and a multi-helicity effect on the self-healing is investigated, based on a theoretical model of rotating magnetic islands. It is confirmed that effective helical ripple rates are sensitive to magnetic axis positions. It is newly found thatmore » self-healing thresholds also strongly depend on magnetic axis positions, which is due to dependence of neoclassical viscous torques on effective helical ripple rates.« less

Fluid-Dynamic Optimal Design of Helical Vascular Graft for Stenotic Disturbed Flow

PubMed Central

Ha, Hojin; Hwang, Dongha; Choi, Woo-Rak; Baek, Jehyun; Lee, Sang Joon

2014-01-01

Although a helical configuration of a prosthetic vascular graft appears to be clinically beneficial in suppressing thrombosis and intimal hyperplasia, an optimization of a helical design has yet to be achieved because of the lack of a detailed understanding on hemodynamic features in helical grafts and their fluid dynamic influences. In the present study, the swirling flow in a helical graft was hypothesized to have beneficial influences on a disturbed flow structure such as stenotic flow. The characteristics of swirling flows generated by helical tubes with various helical pitches and curvatures were investigated to prove the hypothesis. The fluid dynamic influences of these helical tubes on stenotic flow were quantitatively analysed by using a particle image velocimetry technique. Results showed that the swirling intensity and helicity of the swirling flow have a linear relation with a modified Germano number (Gn*) of the helical pipe. In addition, the swirling flow generated a beneficial flow structure at the stenosis by reducing the size of the recirculation flow under steady and pulsatile flow conditions. Therefore, the beneficial effects of a helical graft on the flow field can be estimated by using the magnitude of Gn*. Finally, an optimized helical design with a maximum Gn* was suggested for the future design of a vascular graft. PMID:25360705

Three-dimensional deformation response of a NiTi shape memory helical-coil actuator during thermomechanical cycling: experimentally validated numerical model

NASA Astrophysics Data System (ADS)

Dhakal, B.; Nicholson, D. E.; Saleeb, A. F.; Padula, S. A., II; Vaidyanathan, R.

2016-09-01

Shape memory alloy (SMA) actuators often operate under a complex state of stress for an extended number of thermomechanical cycles in many aerospace and engineering applications. Hence, it becomes important to account for multi-axial stress states and deformation characteristics (which evolve with thermomechanical cycling) when calibrating any SMA model for implementation in large-scale simulation of actuators. To this end, the present work is focused on the experimental validation of an SMA model calibrated for the transient and cyclic evolutionary behavior of shape memory Ni49.9Ti50.1, for the actuation of axially loaded helical-coil springs. The approach requires both experimental and computational aspects to appropriately assess the thermomechanical response of these multi-dimensional structures. As such, an instrumented and controlled experimental setup was assembled to obtain temperature, torque, degree of twist and extension, while controlling end constraints during heating and cooling of an SMA spring under a constant externally applied axial load. The computational component assesses the capabilities of a general, multi-axial, SMA material-modeling framework, calibrated for Ni49.9Ti50.1 with regard to its usefulness in the simulation of SMA helical-coil spring actuators. Axial extension, being the primary response, was examined on an axially-loaded spring with multiple active coils. Two different conditions of end boundary constraint were investigated in both the numerical simulations as well as the validation experiments: Case (1) where the loading end is restrained against twist (and the resulting torque measured as the secondary response) and Case (2) where the loading end is free to twist (and the degree of twist measured as the secondary response). The present study focuses on the transient and evolutionary response associated with the initial isothermal loading and the subsequent thermal cycles under applied constant axial load. The experimental results for the helical-coil actuator under two different boundary conditions are found to be within error to their counterparts in the numerical simulations. The numerical simulation and the experimental validation demonstrate similar transient and evolutionary behavior in the deformation response under the complex, inhomogeneous, multi-axial stress-state and large deformations of the helical-coil actuator. This response, although substantially different in magnitude, exhibited similar evolutionary characteristics to the simple, uniaxial, homogeneous, stress-state of the isobaric tensile tests results used for the model calibration. There was no significant difference in the axial displacement (primary response) magnitudes observed between Cases (1) and (2) for the number of cycles investigated here. The simulated secondary responses of the two cases evolved in a similar manner when compared to the experimental validation of the respective cases.

RNA motif search with data-driven element ordering.

PubMed

Rampášek, Ladislav; Jimenez, Randi M; Lupták, Andrej; Vinař, Tomáš; Brejová, Broňa

2016-05-18

In this paper, we study the problem of RNA motif search in long genomic sequences. This approach uses a combination of sequence and structure constraints to uncover new distant homologs of known functional RNAs. The problem is NP-hard and is traditionally solved by backtracking algorithms. We have designed a new algorithm for RNA motif search and implemented a new motif search tool RNArobo. The tool enhances the RNAbob descriptor language, allowing insertions in helices, which enables better characterization of ribozymes and aptamers. A typical RNA motif consists of multiple elements and the running time of the algorithm is highly dependent on their ordering. By approaching the element ordering problem in a principled way, we demonstrate more than 100-fold speedup of the search for complex motifs compared to previously published tools. We have developed a new method for RNA motif search that allows for a significant speedup of the search of complex motifs that include pseudoknots. Such speed improvements are crucial at a time when the rate of DNA sequencing outpaces growth in computing. RNArobo is available at http://compbio.fmph.uniba.sk/rnarobo .

Top-antitop production from W^+_L W^-_L and Z_L Z_L scattering under a strongly interacting symmetry-breaking sector

NASA Astrophysics Data System (ADS)

Castillo, Andrés; Delgado, Rafael L.; Dobado, Antonio; Llanes-Estrada, Felipe J.

2017-07-01

By considering a non-linear electroweak chiral Lagrangian, including the Higgs, coupled to heavy quarks, and the equivalence theorem, we compute the one-loop scattering amplitudes W^+W^-→ t\\bar{t}, ZZ→ t\\bar{t} and hh→ t\\bar{t} (in the regime M_t^2/v^2≪ √{s}M_t/v^2≪ s/v^2 and to NLO in the effective theory). We calculate the scalar partial-wave helicity amplitudes which allow us to check unitarity at the perturbative level in both M_t/v and s/ v. As with growing energy perturbative unitarity deteriorates, we also introduce a new unitarization method with the right analytical behavior on the complex s-plane and that can support poles on the second Riemann sheet to describe resonances in terms of the Lagrangian couplings. Thus we have achieved a consistent phenomenological description of any resonant t\\bar{t} production that may be enhanced by a possible strongly interacting electroweak symmetry breaking sector.

Helical vortices: Quasiequilibrium states and their time evolution

NASA Astrophysics Data System (ADS)

Selçuk, Can; Delbende, Ivan; Rossi, Maurice

2017-08-01

The time evolution of a viscous helical vortex is investigated by direct numerical simulations of the Navier-Stokes equations where helical symmetry is enforced. Using conservation laws in the framework of helical symmetry, we elaborate an initial condition consisting in a finite core vortex, the time evolution of which leads to a generic quasiequilibrium state independent of the initial core size. Numerical results at different helical pitch values provide an accurate characterization in time for such helical states, for which specific techniques have been introduced: helix radius, angular velocity, stream function-velocity-vorticity relationships, and core properties (size, self-similarity, and ellipticity). Viscosity is shown to be at the origin of a small helical velocity component, which we relate to the helical vorticity component. Finally, changes in time of the flow topology are studied using the helical stream function and three-dimensional Lagrangian orbits.

A comparison of visual statistics for the image enhancement of FORESITE aerial images with those of major image classes

NASA Astrophysics Data System (ADS)

Jobson, Daniel J.; Rahman, Zia-ur; Woodell, Glenn A.; Hines, Glenn D.

2006-05-01

Aerial images from the Follow-On Radar, Enhanced and Synthetic Vision Systems Integration Technology Evaluation (FORESITE) flight tests with the NASA Langley Research Center's research Boeing 757 were acquired during severe haze and haze/mixed clouds visibility conditions. These images were enhanced using the Visual Servo (VS) process that makes use of the Multiscale Retinex. The images were then quantified with visual quality metrics used internally within the VS. One of these metrics, the Visual Contrast Measure, has been computed for hundreds of FORESITE images, and for major classes of imaging-terrestrial (consumer), orbital Earth observations, orbital Mars surface imaging, NOAA aerial photographs, and underwater imaging. The metric quantifies both the degree of visual impairment of the original, un-enhanced images as well as the degree of visibility improvement achieved by the enhancement process. The large aggregate data exhibits trends relating to degree of atmospheric visibility attenuation, and its impact on the limits of enhancement performance for the various image classes. Overall results support the idea that in most cases that do not involve extreme reduction in visibility, large gains in visual contrast are routinely achieved by VS processing. Additionally, for very poor visibility imaging, lesser, but still substantial, gains in visual contrast are also routinely achieved. Further, the data suggest that these visual quality metrics can be used as external standalone metrics for establishing performance parameters.

A Comparison of Visual Statistics for the Image Enhancement of FORESITE Aerial Images with Those of Major Image Classes

NASA Technical Reports Server (NTRS)

Johnson, Daniel J.; Rahman, Zia-ur; Woodell, Glenn A.; Hines, Glenn D.

2006-01-01

Aerial images from the Follow-On Radar, Enhanced and Synthetic Vision Systems Integration Technology Evaluation (FORESITE) flight tests with the NASA Langley Research Center's research Boeing 757 were acquired during severe haze and haze/mixed clouds visibility conditions. These images were enhanced using the Visual Servo (VS) process that makes use of the Multiscale Retinex. The images were then quantified with visual quality metrics used internally with the VS. One of these metrics, the Visual Contrast Measure, has been computed for hundreds of FORESITE images, and for major classes of imaging--terrestrial (consumer), orbital Earth observations, orbital Mars surface imaging, NOAA aerial photographs, and underwater imaging. The metric quantifies both the degree of visual impairment of the original, un-enhanced images as well as the degree of visibility improvement achieved by the enhancement process. The large aggregate data exhibits trends relating to degree of atmospheric visibility attenuation, and its impact on limits of enhancement performance for the various image classes. Overall results support the idea that in most cases that do not involve extreme reduction in visibility, large gains in visual contrast are routinely achieved by VS processing. Additionally, for very poor visibility imaging, lesser, but still substantial, gains in visual contrast are also routinely achieved. Further, the data suggest that these visual quality metrics can be used as external standalone metrics for establishing performance parameters.

NORM2L: An Interactive Computer Program for Acoustic Normal Mode Calculations for the Pekeris Model.

DTIC Science & Technology

1980-12-01

SIN (ZS*GM1) *ANM(I) ALOSS=EXP (-ATN (I )*R) IF(ZR.GT.H) GO TO 6 UNR =SIN k’ZR*GM1) *ANM(I) GO TO 6 6 GM2 = SQRT (AKM(I)**2-AK2**2) UNR =1./ RHORAT*ANM...I)*EXP(-(ZR-H)* GM2 ) *SIN (GM1’H) 8 SUMR =SUMR + UNS*UNR*ALOSS*REAL(HK) SUMI =SUMI + UNS*UNR*ALOSS*AIMAG(HK) TERMz (UNS*UNR*ALOSS ) *HK COHI=TERM

Users' manual for the Langley high speed propeller noise prediction program (DFP-ATP)

NASA Technical Reports Server (NTRS)

Dunn, M. H.; Tarkenton, G. M.

1989-01-01

The use of the Dunn-Farassat-Padula Advanced Technology Propeller (DFP-ATP) noise prediction program which computes the periodic acoustic pressure signature and spectrum generated by propellers moving with supersonic helical tip speeds is described. The program has the capacity of predicting noise produced by a single-rotation propeller (SRP) or a counter-rotation propeller (CRP) system with steady or unsteady blade loading. The computational method is based on two theoretical formulations developed by Farassat. One formulation is appropriate for subsonic sources, and the other for transonic or supersonic sources. Detailed descriptions of user input, program output, and two test cases are presented, as well as brief discussions of the theoretical formulations and computational algorithms employed.

[Research and application of computer-aided technology in restoration of maxillary defect].

PubMed

Cheng, Xiaosheng; Liao, Wenhe; Hu, Qingang; Wang, Qian; Dai, Ning

2008-08-01

This paper presents a new method of designing restoration model of maxillectomy defect through Computer aided technology. Firstly, 3D maxillectomy triangle mesh model is constructed from Helical CT data. Secondly, the triangle mesh model is transformed into initial computer-aided design (CAD) model of maxillectomy through reverse engineering software. Thirdly, the 3D virtual restoration model of maxillary defect is obtained after designing and adjusting the initial CAD model through CAD software according to the patient's practical condition. Therefore, the 3D virtual restoration can be fitted very well with the broken part of maxilla. The exported design data can be manufactured using rapid prototyping technology and foundry technology. Finally, the result proved that this method is effective and feasible.

A rigid motion correction method for helical computed tomography (CT)

NASA Astrophysics Data System (ADS)

Kim, J.-H.; Nuyts, J.; Kyme, A.; Kuncic, Z.; Fulton, R.

2015-03-01

We propose a method to compensate for six degree-of-freedom rigid motion in helical CT of the head. The method is demonstrated in simulations and in helical scans performed on a 16-slice CT scanner. Scans of a Hoffman brain phantom were acquired while an optical motion tracking system recorded the motion of the bed and the phantom. Motion correction was performed by restoring projection consistency using data from the motion tracking system, and reconstructing with an iterative fully 3D algorithm. Motion correction accuracy was evaluated by comparing reconstructed images with a stationary reference scan. We also investigated the effects on accuracy of tracker sampling rate, measurement jitter, interpolation of tracker measurements, and the synchronization of motion data and CT projections. After optimization of these aspects, motion corrected images corresponded remarkably closely to images of the stationary phantom with correlation and similarity coefficients both above 0.9. We performed a simulation study using volunteer head motion and found similarly that our method is capable of compensating effectively for realistic human head movements. To the best of our knowledge, this is the first practical demonstration of generalized rigid motion correction in helical CT. Its clinical value, which we have yet to explore, may be significant. For example it could reduce the necessity for repeat scans and resource-intensive anesthetic and sedation procedures in patient groups prone to motion, such as young children. It is not only applicable to dedicated CT imaging, but also to hybrid PET/CT and SPECT/CT, where it could also ensure an accurate CT image for lesion localization and attenuation correction of the functional image data.

Compaction and binding properties of the intrinsically disordered C-terminal domain of Henipavirus nucleoprotein as unveiled by deletion studies.

PubMed

Blocquel, David; Habchi, Johnny; Gruet, Antoine; Blangy, Stéphanie; Longhi, Sonia

2012-01-01

Henipaviruses are recently emerged severe human pathogens within the Paramyxoviridae family. Their genome is encapsidated by the nucleoprotein (N) within a helical nucleocapsid that recruits the polymerase complex via the phosphoprotein (P). We have previously shown that in Henipaviruses the N protein possesses an intrinsically disordered C-terminal domain, N(TAIL), which undergoes α-helical induced folding in the presence of the C-terminal domain (P(XD)) of the P protein. Using computational approaches, we previously identified within N(TAIL) four putative molecular recognition elements (MoREs) with different structural propensities, and proposed a structural model for the N(TAIL)-P(XD) complex where the MoRE encompassing residues 473-493 adopt an α-helical conformation at the P(XD) surface. In this work, for each N(TAIL) protein, we designed four deletion constructs bearing different combinations of the predicted MoREs. Following purification of the N(TAIL) truncated proteins from the soluble fraction of E. coli, we characterized them in terms of their conformational, spectroscopic and binding properties. These studies provided direct experimental evidence for the structural state of the four predicted MoREs, and showed that two of them have clear α-helical propensities, with the one spanning residues 473-493 being strictly required for binding to P(XD). We also showed that Henipavirus N(TAIL) and P(XD) form heterologous complexes, indicating that the P(XD) binding regions are functionally interchangeable between the two viruses. By combining spectroscopic and conformational analyses, we showed that the content in regular secondary structure is not a major determinant of protein compaction.

The preparation and use of metal salen complexes derived from cyclobutane diamine

NASA Astrophysics Data System (ADS)

Patil, Smita

The helix is an important chiral motif in nature, there is increasing development in field of helical transition metal complexes and related supramolecular structures. Hence, the goals of this work are to apply the principles of helicity in order to produce metal complexes with predictable molecular shapes and to study their properties as asymmetric catalysts. Computational studies suggest that the (1R,2 R)-cyclobutyldiamine unit can produce highly twisted salen complexes with a large energy barrier between the M and P helical forms. To test this prediction, the tartrate salt of (1R,2R)-cyclobutyldiamine was synthesized and condensed with a series of saliclaldehydes to produce novel salen ligands. The salicylaldehydes chosen have extended phenanthryl or benz[a]anthryl sidearms to encourage formation of helical coordination complexes. These ligands were metallated with zinc, iron and manganese salts to produce salen metal complexes which were characterized by NMR analysis, high-resolution mass spectrometry, and IR spectroscopy. A second ligand type, neutral bis(pyridine-imine) has also been synthesized from (1R,2R)-cyclobutyldiamine and quinolylaldehydes. The synthesis of bis(pyridine-imine) ligands was conducted using greener method, solvent assisted grinding. These ligands, in-situ with nickel metal salts, showed good catalytic activity for asymmetric Diels-Alder reactions. The third ligand type studied was chiral acid-functionalized Schiff-base ligands. These were synthesized by the condensation of 3-formyl-5-methyl salicylic acid and (1R,2R)-cyclobutyldiamine. With this type of ligand, there is possibility of producing both mono and dinuclear metal complexes. In our studies, we were only able to synthesize mononuclear complexs. These were tested as catalysts for asymmetric direct Mannich-type reaction, but were found to be ineffective.

Development of 7TM receptor-ligand complex models using ligand-biased, semi-empirical helix-bundle repacking in torsion space: application to the agonist interaction of the human dopamine D2 receptor.

PubMed

Malo, Marcus; Persson, Ronnie; Svensson, Peder; Luthman, Kristina; Brive, Lars

2013-03-01

Prediction of 3D structures of membrane proteins, and of G-protein coupled receptors (GPCRs) in particular, is motivated by their importance in biological systems and the difficulties associated with experimental structure determination. In the present study, a novel method for the prediction of 3D structures of the membrane-embedded region of helical membrane proteins is presented. A large pool of candidate models are produced by repacking of the helices of a homology model using Monte Carlo sampling in torsion space, followed by ranking based on their geometric and ligand-binding properties. The trajectory is directed by weak initial restraints to orient helices towards the original model to improve computation efficiency, and by a ligand to guide the receptor towards a chosen conformational state. The method was validated by construction of the β1 adrenergic receptor model in complex with (S)-cyanopindolol using bovine rhodopsin as template. In addition, models of the dopamine D2 receptor were produced with the selective and rigid agonist (R)-N-propylapomorphine ((R)-NPA) present. A second quality assessment was implemented by evaluating the results from docking of a library of 29 ligands with known activity, which further discriminated between receptor models. Agonist binding and recognition by the dopamine D2 receptor is interpreted using the 3D structure model resulting from the approach. This method has a potential for modeling of all types of helical transmembrane proteins for which a structural template with sequence homology sufficient for homology modeling is not available or is in an incorrect conformational state, but for which sufficient empirical information is accessible.

Amphipathic alpha-helices and putative cholesterol binding domains of the influenza virus matrix M1 protein are crucial for virion structure organisation.

PubMed

Tsfasman, Tatyana; Kost, Vladimir; Markushin, Stanislav; Lotte, Vera; Koptiaeva, Irina; Bogacheva, Elena; Baratova, Ludmila; Radyukhin, Victor

2015-12-02

The influenza virus matrix M1 protein is an amphitropic membrane-associated protein, forming the matrix layer immediately beneath the virus raft membrane, thereby ensuring the proper structure of the influenza virion. The objective of this study was to elucidate M1 fine structural characteristics, which determine amphitropic properties and raft membrane activities of the protein, via 3D in silico modelling with subsequent mutational analysis. Computer simulations suggest the amphipathic nature of the M1 α-helices and the existence of putative cholesterol binding (CRAC) motifs on six amphipathic α-helices. Our finding explains for the first time many features of this protein, particularly the amphitropic properties and raft/cholesterol binding potential. To verify these results, we generated mutants of the A/WSN/33 strain via reverse genetics. The M1 mutations included F32Y in the CRAC of α-helix 2, W45Y and W45F in the CRAC of α-helix 3, Y100S in the CRAC of α-helix 6, M128A and M128S in the CRAC of α-helix 8 and a double L103I/L130I mutation in both a putative cholesterol consensus motif and the nuclear localisation signal. All mutations resulted in viruses with unusual filamentous morphology. Previous experimental data regarding the morphology of M1-gene mutant influenza viruses can now be explained in structural terms and are consistent with the pivotal role of the CRAC-domains and amphipathic α-helices in M1-lipid interactions. Copyright © 2015 Elsevier B.V. All rights reserved.

Catecholaminergic challenge uncovers distinct Pavlovian and instrumental mechanisms of motivated (in)action

PubMed Central

Swart, Jennifer C; Froböse, Monja I; Cook, Jennifer L; Geurts, Dirk EM; Frank, Michael J; Cools, Roshan; den Ouden, Hanneke EM

2017-01-01

Catecholamines modulate the impact of motivational cues on action. Such motivational biases have been proposed to reflect cue-based, ‘Pavlovian’ effects. Here, we assess whether motivational biases may also arise from asymmetrical instrumental learning of active and passive responses following reward and punishment outcomes. We present a novel paradigm, allowing us to disentangle the impact of reward and punishment on instrumental learning from Pavlovian response biasing. Computational analyses showed that motivational biases reflect both Pavlovian and instrumental effects: reward and punishment cues promoted generalized (in)action in a Pavlovian manner, whereas outcomes enhanced instrumental (un)learning of chosen actions. These cue- and outcome-based biases were altered independently by the catecholamine enhancer melthylphenidate. Methylphenidate’s effect varied across individuals with a putative proxy of baseline dopamine synthesis capacity, working memory span. Our study uncovers two distinct mechanisms by which motivation impacts behaviour, and helps refine current models of catecholaminergic modulation of motivated action. DOI: http://dx.doi.org/10.7554/eLife.22169.001 PMID:28504638

An Amino Acid Packing Code for α-helical Structure and Protein Design

PubMed Central

Joo, Hyun; Chavan, Archana G.; Phan, Jamie; Day, Ryan; Tsai, Jerry

2012-01-01

This work demonstrates that all packing in α-helices can be simplified to repetitive patterns of a single motif: the knob-socket. Using the precision of Voronoi Polyhedra/Deluaney Tessellations to identify contacts, the knob-socket is a 4 residue tetrahedral motif: a knob residue on one α-helix packs into the 3 residue socket on another α-helix. The principle of the knob-socket model relates the packing between levels of protein structure: the intra-helical packing arrangements within secondary structure that permit inter-helix tertiary packing interactions. Within an α-helix, the 3 residue sockets arrange residues into a uniform packing lattice. Inter-helix packing results from a definable pattern of interdigitated knob-socket motifs between 2 α-helices. Furthermore, the knob-socket model classifies 3 types of sockets: 1) free: favoring only intra-helical packing, 2) filled: favoring inter-helical interactions and 3) non: disfavoring α-helical structure. The amino acid propensities in these 3 socket classes essentially represent an amino acid code for structure in α-helical packing. Using this code, a novel yet straightforward approach for the design of α-helical structure was used to validate the knob-socket model. Unique sequences for 3 peptides were created to produce a predicted amount of α-helical structure: mostly helical, some helical, and no-helix. These 3 peptides were synthesized and helical content assessed using CD spectroscopy. The measured α-helicity of each peptide was consistent with the expected predictions. These results and analysis demonstrate that the knob-socket motif functions as the basic unit of packing and presents an intuitive tool to decipher the rules governing packing in protein structure. PMID:22426125

A Combined Study of Photospheric Magnetic and Current Helicities and Subsurface Kinetic Helicities of Solar Active Regions during 2006-2013

NASA Astrophysics Data System (ADS)

Seligman, D.; Petrie, G. J. D.; Komm, R.

2014-11-01

We compare the average photospheric current helicity Hc , photospheric twist parameter α (a well-known proxy for the full relative magnetic helicity), and subsurface kinetic helicity Hk for 194 active regions observed between 2006-2013. We use 2440 Hinode photospheric vector magnetograms, and the corresponding subsurface fluid velocity data derived from GONG (2006-2012) and Helioseismic and Magnetic Imager (2010-2013) dopplergrams. We find a significant hemispheric bias in all three parameters. The subsurface kinetic helicity is preferentially positive in the southern hemisphere and negative in the northern hemisphere. The photospheric current helicity and the α parameter have the same bias for strong fields (|B| > 1000 G) and no significant bias for weak fields (100 G <|B| < 500 G). We find no significant region-by-region correlation between the subsurface kinetic helicity and either the strong-field current helicity or α. Subsurface fluid motions of a given handedness correspond to photospheric helicities of both signs in approximately equal numbers. However, common variations appear in annual averages of these quantities over all regions. Furthermore, in a subset of 77 regions, we find significant correlations between the temporal profiles of the subsurface and photospheric helicities. In these cases, the sign of the linear correlation coefficient matches the sign relationship between the helicities, indicating that the photospheric magnetic field twist is sensitive to the twisting motions below the surface.

Establishment of a low recycling state with full density control by active pumping of the closed helical divertor at LHD

NASA Astrophysics Data System (ADS)

Motojima, G.; Masuzaki, S.; Tanaka, H.; Morisaki, T.; Sakamoto, R.; Murase, T.; Tsuchibushi, Y.; Kobayashi, M.; Schmitz, O.; Shoji, M.; Tokitani, M.; Yamada, H.; Takeiri, Y.; The LHD Experiment Group

2018-01-01

Superior control of particle recycling and hence full governance of plasma density has been established in the Large Helical Device (LHD) using largely enhanced active pumping of the closed helical divertor (CHD). In-vessel cryo-sorption pumping systems inside the CHD in five out of ten inner toroidal divertor sections have been developed and installed step by step in the LHD. The total effective pumping speed obtained was 67  ±  5 m3 s-1 in hydrogen, which is approximately seven times larger than previously obtained. As a result, a low recycling state was observed with CHD pumping for the first time in LHD featuring excellent density control even under intense pellet fueling conditions. A global particle confinement time (τ p* ) is used for comparison of operation with and without the CHD pumping. The τ p* was evaluated from the density decay after the fueling of hydrogen pellet injection or gas puffing in NBI plasmas. A reliably low base density before the fueling and short τ p* after the fueling were obtained during the CHD pumping, demonstrating for the first time full control of the particle balance with active pumping in the CHD.

Coiled-coil intermediate filament stutter instability and molecular unfolding.

PubMed

Arslan, Melis; Qin, Zhao; Buehler, Markus J

2011-05-01

Intermediate filaments (IFs) are the key components of cytoskeleton in eukaryotic cells and are critical for cell mechanics. The building block of IFs is a coiled-coil alpha-helical dimer, consisting of several domains that include linkers and other structural discontinuities. One of the discontinuities in the dimer's coiled-coil region is the so-called 'stutter' region. The stutter is a region where a variation of the amino acid sequence pattern from other parts of the alpha-helical domains of the protein is found. It was suggested in earlier works that due to this sequence variation, the perfect coiled-coil arrangement ceases to exist. Here, we show using explicit water molecular dynamics and well-tempered metadynamics that for the coil2 domain of vimentin IFs the stutter is more stable in a non-alpha-helical, unfolded state. This causes a local structural disturbance in the alpha helix, which has a global effect on the nanomechanics of the structure. Our analysis suggests that the stutter features an enhanced tendency to unfolding even under the absence of external forces, implying a much greater structural instability than previously assumed. As a result it features a smaller local bending stiffness than other segments and presents a seed for the initiation of molecular bending and unfolding at large deformation.

Probing spin helical surface states in topological HgTe nanowires

NASA Astrophysics Data System (ADS)

Ziegler, J.; Kozlovsky, R.; Gorini, C.; Liu, M.-H.; Weishäupl, S.; Maier, H.; Fischer, R.; Kozlov, D. A.; Kvon, Z. D.; Mikhailov, N.; Dvoretsky, S. A.; Richter, K.; Weiss, D.

2018-01-01

Nanowires with helical surface states represent key prerequisites for observing and exploiting phase-coherent topological conductance phenomena, such as spin-momentum locked quantum transport or topological superconductivity. We demonstrate in a joint experimental and theoretical study that gated nanowires fabricated from high-mobility strained HgTe, known as a bulk topological insulator, indeed preserve the topological nature of the surface states, that moreover extend phase-coherently across the entire wire geometry. The phase-coherence lengths are enhanced up to 5 μ m when tuning the wires into the bulk gap, so as to single out topological transport. The nanowires exhibit distinct conductance oscillations, both as a function of the flux due to an axial magnetic field and of a gate voltage. The observed h /e -periodic Aharonov-Bohm-type modulations indicate surface-mediated quasiballistic transport. Furthermore, an in-depth analysis of the scaling of the observed gate-dependent conductance oscillations reveals the topological nature of these surface states. To this end we combined numerical tight-binding calculations of the quantum magnetoconductance with simulations of the electrostatics, accounting for the gate-induced inhomogeneous charge carrier densities around the wires. We find that helical transport prevails even for strongly inhomogeneous gating and is governed by flux-sensitive high-angular momentum surface states that extend around the entire wire circumference.

Three-dimensional tomographic imaging for dynamic radiation behavior study using infrared imaging video bolometers in large helical device plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sano, Ryuichi; Iwama, Naofumi; Peterson, Byron J.

A three-dimensional (3D) tomography system using four InfraRed imaging Video Bolometers (IRVBs) has been designed with a helical periodicity assumption for the purpose of plasma radiation measurement in the large helical device. For the spatial inversion of large sized arrays, the system has been numerically and experimentally examined using the Tikhonov regularization with the criterion of minimum generalized cross validation, which is the standard solver of inverse problems. The 3D transport code EMC3-EIRENE for impurity behavior and related radiation has been used to produce phantoms for numerical tests, and the relative calibration of the IRVB images has been carried outmore » with a simple function model of the decaying plasma in a radiation collapse. The tomography system can respond to temporal changes in the plasma profile and identify the 3D dynamic behavior of radiation, such as the radiation enhancement that starts from the inboard side of the torus, during the radiation collapse. The reconstruction results are also consistent with the output signals of a resistive bolometer. These results indicate that the designed 3D tomography system is available for the 3D imaging of radiation. The first 3D direct tomographic measurement of a magnetically confined plasma has been achieved.« less

Shape-selective recognition of DNA abasic sites by metallohelices: inhibition of human AP endonuclease 1

PubMed Central

Malina, Jaroslav; Scott, Peter; Brabec, Viktor

2015-01-01

Loss of a base in DNA leading to creation of an abasic (AP) site leaving a deoxyribose residue in the strand, is a frequent lesion that may occur spontaneously or under the action of various physical and chemical agents. Progress in the understanding of the chemistry and enzymology of abasic DNA largely relies upon the study of AP sites in synthetic duplexes. We report here on interactions of diastereomerically pure metallo–helical ‘flexicate’ complexes, bimetallic triple-stranded ferro-helicates [Fe2(NN-NN)3]4+ incorporating the common NN–NN bis(bidentate) helicand, with short DNA duplexes containing AP sites in different sequence contexts. The results show that the flexicates bind to AP sites in DNA duplexes in a shape-selective manner. They preferentially bind to AP sites flanked by purines on both sides and their binding is enhanced when a pyrimidine is placed in opposite orientation to the lesion. Notably, the Λ-enantiomer binds to all tested AP sites with higher affinity than the Δ-enantiomer. In addition, the binding of the flexicates to AP sites inhibits the activity of human AP endonuclease 1, which is as a valid anticancer drug target. Hence, this finding indicates the potential of utilizing well-defined metallo–helical complexes for cancer chemotherapy. PMID:25940617

Quantum-mechanical analysis of the energetic contributions to π stacking in nucleic acids versus rise, twist, and slide.

PubMed

Parker, Trent M; Hohenstein, Edward G; Parrish, Robert M; Hud, Nicholas V; Sherrill, C David

2013-01-30

Symmetry-adapted perturbation theory (SAPT) is applied to pairs of hydrogen-bonded nucleobases to obtain the energetic components of base stacking (electrostatic, exchange-repulsion, induction/polarization, and London dispersion interactions) and how they vary as a function of the helical parameters Rise, Twist, and Slide. Computed average values of Rise and Twist agree well with experimental data for B-form DNA from the Nucleic Acids Database, even though the model computations omitted the backbone atoms (suggesting that the backbone in B-form DNA is compatible with having the bases adopt their ideal stacking geometries). London dispersion forces are the most important attractive component in base stacking, followed by electrostatic interactions. At values of Rise typical of those in DNA (3.36 Å), the electrostatic contribution is nearly always attractive, providing further evidence for the importance of charge-penetration effects in π-π interactions (a term neglected in classical force fields). Comparison of the computed stacking energies with those from model complexes made of the "parent" nucleobases purine and 2-pyrimidone indicates that chemical substituents in DNA and RNA account for 20-40% of the base-stacking energy. A lack of correspondence between the SAPT results and experiment for Slide in RNA base-pair steps suggests that the backbone plays a larger role in determining stacking geometries in RNA than in B-form DNA. In comparisons of base-pair steps with thymine versus uracil, the thymine methyl group tends to enhance the strength of the stacking interaction through a combination of dispersion and electrosatic interactions.

Plasma Science and Innovation Center (PSI-Center) at Washington, Wisconsin, and Utah State, ARRA Supplement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sovinec, Carl

The objective of the Plasma Science and Innovation Center (PSI-Center) is to develop and deploy computational models that simulate conditions in smaller, concept-exploration plasma experiments. The PSIC group at the University of Wisconsin-Madison, led by Prof. Carl Sovinec, uses and enhances the Non-Ideal Magnetohydrodynamics with Rotation, Open Discussion (NIMROD) code, to simulate macroscopic plasma dynamics in a number of magnetic confinement configurations. These numerical simulations provide information on how magnetic fields and plasma flows evolve over all three spatial dimensions, which supplements the limited access of diagnostics in plasma experiments. The information gained from simulation helps explain how plasma evolves.more » It is also used to engineer more effective plasma confinement systems, reducing the need for building many experiments to cover the physical parameter space. The ultimate benefit is a more cost-effective approach to the development of fusion energy for peaceful power production. The supplemental funds provided by the American Recovery and Reinvestment Act of 2009 were used to purchase computer components that were assembled into a 48-core system with 256 Gb of shared memory. The system was engineered and constructed by the group's system administrator at the time, Anthony Hammond. It was successfully used by then graduate student, Dr. John O'Bryan, for computing magnetic relaxation dynamics that occur during experimental tests of non-inductive startup in the Pegasus Toroidal Experiment (pegasus.ep.wisc.edu). Dr. O'Bryan's simulations provided the first detailed explanation of how the driven helical filament of electrical current evolves into a toroidal tokamak-like plasma configuration.« less

High-Efficiency Helical Coil Electromagnetic Launcher and High Power Hall-Effect Switch

DTIC Science & Technology

2008-02-29

also given that demonstrate significant launcher performance benefits by super-cooling the armature (i.e., using liquid nitrogen ). 14. ABSTRACT... liquid nitrogen temperatures). A computer model for a magnetically-controlled Hall-effect switch is developed. The model is constructed in the PSpice...of super-cooling is demonstrated with liquid nitrogen cooling and indicates super-cooled EML operation is desirable if cryo-cooling is practical for

Optimized x-ray source scanning trajectories for iterative reconstruction in high cone-angle tomography

NASA Astrophysics Data System (ADS)

Kingston, Andrew M.; Myers, Glenn R.; Latham, Shane J.; Li, Heyang; Veldkamp, Jan P.; Sheppard, Adrian P.

2016-10-01

With the GPU computing becoming main-stream, iterative tomographic reconstruction (IR) is becoming a com- putationally viable alternative to traditional single-shot analytical methods such as filtered back-projection. IR liberates one from the continuous X-ray source trajectories required for analytical reconstruction. We present a family of novel X-ray source trajectories for large-angle CBCT. These discrete (sparsely sampled) trajectories optimally fill the space of possible source locations by maximising the degree of mutually independent information. They satisfy a discrete equivalent of Tuy's sufficiency condition and allow high cone-angle (high-flux) tomog- raphy. The highly isotropic nature of the trajectory has several advantages: (1) The average source distance is approximately constant throughout the reconstruction volume, thus avoiding the differential-magnification artefacts that plague high cone-angle helical computed tomography; (2) Reduced streaking artifacts due to e.g. X-ray beam-hardening; (3) Misalignment and component motion manifests as blur in the tomogram rather than double-edges, which is easier to automatically correct; (4) An approximately shift-invariant point-spread-function which enables filtering as a pre-conditioner to speed IR convergence. We describe these space-filling trajectories and demonstrate their above-mentioned properties compared with a traditional helical trajectories.

Computer programming for nucleic acid studies. II. Total chemical shifts calculation of all protons of double-stranded helices.

PubMed

Giessner-Prettre, C; Ribas Prado, F; Pullman, B; Kan, L; Kast, J R; Ts'o, P O

1981-01-01

A FORTRAN computer program called SHIFTS is described. Through SHIFTS, one can calculate the NMR chemical shifts of the proton resonances of single and double-stranded nucleic acids of known sequences and of predetermined conformations. The program can handle RNA and DNA for an arbitrary sequence of a set of 4 out of the 6 base types A,U,G,C,I and T. Data files for the geometrical parameters are available for A-, A'-, B-, D- and S-conformations. The positions of all the atoms are calculated using a modified version of the SEQ program [1]. Then, based on this defined geometry three chemical shift effects exerted by the atoms of the neighboring nucleotides on the protons of each monomeric unit are calculated separately: the ring current shielding effect: the local atomic magnetic susceptibility effect (including both diamagnetic and paramagnetic terms); and the polarization or electric field effect. Results of the program are compared with experimental results for a gamma (ApApGpCpUpU) 2 helical duplex and with calculated results on this same helix based on model building of A'-form and B-form and on graphical procedure for evaluating the ring current effects.

Approximations of noise covariance in multi-slice helical CT scans: impact on lung nodule size estimation.

PubMed

Zeng, Rongping; Petrick, Nicholas; Gavrielides, Marios A; Myers, Kyle J

2011-10-07

Multi-slice computed tomography (MSCT) scanners have become popular volumetric imaging tools. Deterministic and random properties of the resulting CT scans have been studied in the literature. Due to the large number of voxels in the three-dimensional (3D) volumetric dataset, full characterization of the noise covariance in MSCT scans is difficult to tackle. However, as usage of such datasets for quantitative disease diagnosis grows, so does the importance of understanding the noise properties because of their effect on the accuracy of the clinical outcome. The goal of this work is to study noise covariance in the helical MSCT volumetric dataset. We explore possible approximations to the noise covariance matrix with reduced degrees of freedom, including voxel-based variance, one-dimensional (1D) correlation, two-dimensional (2D) in-plane correlation and the noise power spectrum (NPS). We further examine the effect of various noise covariance models on the accuracy of a prewhitening matched filter nodule size estimation strategy. Our simulation results suggest that the 1D longitudinal, 2D in-plane and NPS prewhitening approaches can improve the performance of nodule size estimation algorithms. When taking into account computational costs in determining noise characterizations, the NPS model may be the most efficient approximation to the MSCT noise covariance matrix.

Structure based computational assessment of channel properties of assembled ORF-8a from SARS-CoV.

PubMed

Hsu, Hao-Jen; Lin, Meng-Han; Schindler, Christina; Fischer, Wolfgang B

2015-02-01

ORF 8a is a short 39 amino acid bitopic membrane protein encoded by severe acute respiratory syndrome causing corona virus (SARS-CoV). It has been identified to increase permeability of the lipid membrane for cations. Permeability is suggested to occur due to the assembly of helical bundles. Computational models of a pentameric assembly of 8a peptides are generated using the first 22 amino acids, which include the transmembrane domain. Low energy structures reveal a hydrophilic pore mantled by residues Thr-8, and -18, Ser-11, Cys-13, and Arg-22. Potential of mean force (PMF) profiles for mono (Na(+) , K(+) , Cl(-) ) and divalent (Ca(2+) ) ions along the pore are calculated. The data support experimental findings of a weak cation selectivity of the channel. Calculations on 8a are compared to data derived for a pentameric bundle consisting of the M2 helices of the bacterial pentameric ligand gated ion channel GLIC (3EHZ). PMF curves of both, bundles 8a and M2, show sigmoidal shaped profiles. In comparison to the data for the M2-GLIC model, data of the 8a bundle show lower amplitude of the PMF values between maximum and minimum and less discrimination amongst ions. © 2014 Wiley Periodicals, Inc.

Microbial-enhanced Selenium and Iron Biofortification of Wheat (Triticum aestivum L.)--Applications in Phytoremediation and Biofortification.

PubMed

Yasin, Muhammad; El-Mehdawi, Ali Farag; Anwar, Aneela; Pilon-Smits, Elizabeth A H; Faisal, Muhammad

2015-01-01

Selenium (Se) is an essential trace element for humans and other mammals. Most dietary Se is derived from crops. To develop a Se biofortification strategy for wheat, the effect of selenate fertilization and bacterial inoculation on Se uptake and plant growth was investigated. YAM2, a bacterium with 99% similarity to Bacillus pichinotyi, showed many plant growth promoting characteristics. Inoculation with YAM2 enhanced wheat growth, both in the presence and absence of selenate: YAM2-inoculated plants showed significantly higher dry weight, shoot length and spike length compared to un-inoculated plants. Selenate also stimulated wheat growth; Un-inoculated Se-treated plants showed a significantly higher dry weight and shoot length compared to control plants without Se. Bacterial inoculation significantly enhanced Se concentration in wheat kernels (167%) and stems (252%), as well as iron (Fe) levels in kernels (70%) and stems (147%), compared to un-inoculated plants. Inoculated Se-treated plants showed a significant increase in acid phosphatase activity, which may have contributed to the enhanced growth. In conclusion; Inoculation with Bacillus sp. YAM2 is a promising Se biofortification strategy for wheat and potentially other crops.

First measurement of the helicity asymmetry E in η photoproduction on the proton

NASA Astrophysics Data System (ADS)

Senderovich, I.; Morrison, B. T.; Dugger, M.; Ritchie, B. G.; Pasyuk, E.; Tucker, R.; Brock, J.; Carlin, C.; Keith, C. D.; Meekins, D. G.; Seely, M. L.; Rönchen, D.; Döring, M.; Collins, P.; Adhikari, K. P.; Adikaram, D.; Akbar, Z.; Anderson, M. D.; Anefalos Pereira, S.; Badui, R. A.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Boiarinov, S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Colaneri, L.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Credé, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Filippi, A.; Fleming, J. A.; Fradi, A.; Garillon, B.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Glazier, D. I.; Goetz, J. T.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joo, K.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, A.; Klein, F. J.; Kubarovsky, V.; Kunkel, M. C.; Lenisa, P.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Mattione, P.; McKinnon, B.; Meyer, C. A.; Mineeva, T.; Mokeev, V.; Montgomery, R. A.; Movsisyan, A.; Munoz Camacho, C.; Nadel-Turonski, P.; Net, L. A.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Park, K.; Park, S.; Peng, P.; Phelps, W.; Pisano, S.; Pogorelko, O.; Price, J. W.; Prok, Y.; Puckett, A. J. R.; Ripani, M.; Rizzo, A.; Rosner, G.; Roy, P.; Sabatié, F.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Simonyan, A.; Skorodumina, Iu.; Smith, G. D.; Sober, D. I.; Sparveris, N.; Stepanyan, S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Sytnik, V.; Tian, Ye; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Wei, X.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.

2016-04-01

Results are presented for the first measurement of the double-polarization helicity asymmetry E for the η photoproduction reaction γp → ηp. Data were obtained using the FROzen Spin Target (FROST) with the CLAS spectrometer in Hall B at Jefferson Lab, covering a range of center-of-mass energy W from threshold to 2.15 GeV and a large range in center-of-mass polar angle. As an initial application of these data, the results have been incorporated into the Jülich-Bonn model to examine the case for the existence of a narrow N* resonance between 1.66 and 1.70 GeV. The addition of these data to the world database results in marked changes in the predictions for the E observable from that model. Further comparison with several theoretical approaches indicates these data will significantly enhance our understanding of nucleon resonances.

Detailed performance analysis of the A.A.D. - concept B

NASA Technical Reports Server (NTRS)

Sekar, R.; Tozzi, L.

1983-01-01

New concepts for engine performance improvement are seen through the adoption of heat regeneration techniques; advanced methods to enhance the combustion; and higher efficiency air handling machinery, such as the positive displacement helical screw expander and compressor. Each of these concepts plays a particular role in engine performance improvement. First regeneration has a great potential for achieving higher engine thermal efficiency through the recovery of waste energy. Although the concept itself is not new (this technique is used in the gas turbine), the application to reciprocating internal combustion engines is quite unusual and presents conceptual difficulties. The second important area is better control of the combustion process in terms of heat transfer characteristics, combustion products, and heat release rate. The third area for performance improvement is in the adoption of high efficiency air handling machinery. In particular, positive displacement helical expander and compressor exhibit an extremely high efficiency over a wide range of operating conditions.

Flexible and stretchable power sources for wearable electronics

PubMed Central

Zamarayeva, Alla M.; Ostfeld, Aminy E.; Wang, Michael; Duey, Jerica K.; Deckman, Igal; Lechêne, Balthazar P.; Davies, Greg; Steingart, Daniel A.; Arias, Ana Claudia

2017-01-01

Flexible and stretchable power sources represent a key technology for the realization of wearable electronics. Developing flexible and stretchable batteries with mechanical endurance that is on par with commercial standards and offer compliance while retaining safety remains a significant challenge. We present a unique approach that demonstrates mechanically robust, intrinsically safe silver-zinc batteries. This approach uses current collectors with enhanced mechanical design, such as helical springs and serpentines, as a structural support and backbone for all battery components. We show wire-shaped batteries based on helical band springs that are resilient to fatigue and retain electrochemical performance over 17,000 flexure cycles at a 0.5-cm bending radius. Serpentine-shaped batteries can be stretched with tunable degree and directionality while maintaining their specific capacity. Finally, the batteries are integrated, as a wearable device, with a photovoltaic module that enables recharging of the batteries. PMID:28630897

First measurement of the helicity asymmetry E in η photoproduction on the proton

DOE PAGES

Senderovich, Igor; Morrison, Brian T.; Dugger, Michael R.; ...

2016-01-26

Results are presented for the first measurement of the double-polarization helicity asymmetry E for the η photoproduction reaction γ p → η p. Data were obtained using the FROzen Spin Target (FROST) with the CLAS spectrometer in Hall B at Jefferson Lab, covering a range of center-of-mass energy W from threshold to 2.15 GeV and a large range in center-of-mass polar angle. As an initial application of these data, the results have been incorporated into the J\\"ulich model to examine the case for the existence of a narrow Ν* resonance between 1.66 and 1.70 GeV. The addition of these datamore » to the world database results in marked changes in the predictions for the E observable using that model. As a result, further comparison with several theoretical approaches indicates these data will significantly enhance our understanding of nucleon resonances.« less

First measurement of the helicity asymmetry E in η photoproduction on the proton

DOE Office of Scientific and Technical Information (OSTI.GOV)

Senderovich, I.; Morrison, B. T.; Dugger, M.

2016-01-26

Results are presented for the first measurement of the double-polarization helicity asymmetry E for the η photoproduction reaction γ p → ηp. Data were obtained using the FROzen Spin Target (FROST) with the CLAS spectrometer in Hall B at Jefferson Lab, covering a range of center-of-mass energy W from threshold to 2.15 GeV and a large range in center-of-mass polar angle. As an initial application of these data, the results have been incorporated into the Jülich–Bonn model to examine the case for the existence of a narrow N* resonance between 1.66 and 1.70 GeV. The addition of these data tomore » the world database results in marked changes in the predictions for the E observable from that model. Further comparison with several theoretical approaches indicates these data will significantly enhance our understanding of nucleon resonances.« less

Dynamic Coupling and Allosteric Networks in the α Subunit of Heterotrimeric G Proteins.

PubMed

Yao, Xin-Qiu; Malik, Rabia U; Griggs, Nicholas W; Skjærven, Lars; Traynor, John R; Sivaramakrishnan, Sivaraj; Grant, Barry J

2016-02-26

G protein α subunits cycle between active and inactive conformations to regulate a multitude of intracellular signaling cascades. Important structural transitions occurring during this cycle have been characterized from extensive crystallographic studies. However, the link between observed conformations and the allosteric regulation of binding events at distal sites critical for signaling through G proteins remain unclear. Here we describe molecular dynamics simulations, bioinformatics analysis, and experimental mutagenesis that identifies residues involved in mediating the allosteric coupling of receptor, nucleotide, and helical domain interfaces of Gαi. Most notably, we predict and characterize novel allosteric decoupling mutants, which display enhanced helical domain opening, increased rates of nucleotide exchange, and constitutive activity in the absence of receptor activation. Collectively, our results provide a framework for explaining how binding events and mutations can alter internal dynamic couplings critical for G protein function. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Rotational 3D printing of damage-tolerant composites with programmable mechanics.

PubMed

Raney, Jordan R; Compton, Brett G; Mueller, Jochen; Ober, Thomas J; Shea, Kristina; Lewis, Jennifer A

2018-02-06

Natural composites exhibit exceptional mechanical performance that often arises from complex fiber arrangements within continuous matrices. Inspired by these natural systems, we developed a rotational 3D printing method that enables spatially controlled orientation of short fibers in polymer matrices solely by varying the nozzle rotation speed relative to the printing speed. Using this method, we fabricated carbon fiber-epoxy composites composed of volume elements (voxels) with programmably defined fiber arrangements, including adjacent regions with orthogonally and helically oriented fibers that lead to nonuniform strain and failure as well as those with purely helical fiber orientations akin to natural composites that exhibit enhanced damage tolerance. Our approach broadens the design, microstructural complexity, and performance space for fiber-reinforced composites through site-specific optimization of their fiber orientation, strain, failure, and damage tolerance. Copyright © 2018 the Author(s). Published by PNAS.

Design and Simulation of a Matching System into the Helical Cooling Channel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshikawa, C.; Ankenbrandt, C.; Johnson, R. P.

2014-07-01

Muon colliders could provide the most sensitive measurement of the Higgs mass and return the US back to the Energy Frontier. Central to the capabilities of muon colliders are the cooling channels that provide the extraordinary reduction in emittance required for the precise Higgs mass measurement and increased luminosity for enhanced discovery potential of an Energy Frontier Machine. The Helical Cooling Channel (HCC) is able to achieve such emittance reduction and matching sections within the HCC have been successfully designed in the past with lossless transmission and no emittance growth. However, matching into the HCC from a straight solenoid posesmore » a challenge, since a large emittance beam must cross transition. We elucidate on the challenge and present evaluations of two solutions, along with concepts to integrate the operations of a Charge Separator and match into the HCC.« less

Effects of Magnetic and Kinetic Helicities on the Growth of Magnetic Fields in Laminar and Turbulent Flows by Helical Fourier Decomposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Linkmann, Moritz; Sahoo, Ganapati; Biferale, Luca

We present a numerical and analytical study of incompressible homogeneous conducting fluids using a helical Fourier representation. We analytically study both small- and large-scale dynamo properties, as well as the inverse cascade of magnetic helicity, in the most general minimal subset of interacting velocity and magnetic fields on a closed Fourier triad. We mainly focus on the dependency of magnetic field growth as a function of the distribution of kinetic and magnetic helicities among the three interacting wavenumbers. By combining direct numerical simulations of the full magnetohydrodynamics equations with the helical Fourier decomposition, we numerically confirm that in the kinematicmore » dynamo regime the system develops a large-scale magnetic helicity with opposite sign compared to the small-scale kinetic helicity, a sort of triad-by-triad α -effect in Fourier space. Concerning the small-scale perturbations, we predict theoretically and confirm numerically that the largest instability is achived for the magnetic component with the same helicity of the flow, in agreement with the Stretch–Twist–Fold mechanism. Vice versa, in the presence of Lorentz feedback on the velocity, we find that the inverse cascade of magnetic helicity is mostly local if magnetic and kinetic helicities have opposite signs, while it is more nonlocal and more intense if they have the same sign, as predicted by the analytical approach. Our analytical and numerical results further demonstrate the potential of the helical Fourier decomposition to elucidate the entangled dynamics of magnetic and kinetic helicities both in fully developed turbulence and in laminar flows.« less

The positive inside rule is stronger when followed by a transmembrane helix.

PubMed

Virkki, Minttu T; Peters, Christoph; Nilsson, Daniel; Sörensen, Therese; Cristobal, Susana; Wallner, Björn; Elofsson, Arne

2014-08-12

The translocon recognizes transmembrane helices with sufficient level of hydrophobicity and inserts them into the membrane. However, sometimes less hydrophobic helices are also recognized. Positive inside rule, orientational preferences of and specific interactions with neighboring helices have been shown to aid in the recognition of these helices, at least in artificial systems. To better understand how the translocon inserts marginally hydrophobic helices, we studied three naturally occurring marginally hydrophobic helices, which were previously shown to require the subsequent helix for efficient translocon recognition. We find no evidence for specific interactions when we scan all residues in the subsequent helices. Instead, we identify arginines located at the N-terminal part of the subsequent helices that are crucial for the recognition of the marginally hydrophobic transmembrane helices, indicating that the positive inside rule is important. However, in two of the constructs, these arginines do not aid in the recognition without the rest of the subsequent helix; that is, the positive inside rule alone is not sufficient. Instead, the improved recognition of marginally hydrophobic helices can here be explained as follows: the positive inside rule provides an orientational preference of the subsequent helix, which in turn allows the marginally hydrophobic helix to be inserted; that is, the effect of the positive inside rule is stronger if positively charged residues are followed by a transmembrane helix. Such a mechanism obviously cannot aid C-terminal helices, and consequently, we find that the terminal helices in multi-spanning membrane proteins are more hydrophobic than internal helices. Copyright © 2014 Elsevier Ltd. All rights reserved.

Thermodynamic Approach to Enhanced Dispersion and Physical Properties in a Carbon Nanotube/Polypeptide Nanocomposite

NASA Technical Reports Server (NTRS)

Lovell, Conrad S.; Wise, Kristopher E.; Kim, Jae-Woo; Lillehei, Peter T.; Harrison, Joycelyn S.; Park, Cheol

2009-01-01

A high molecular weight synthetic polypeptide has been designed which exhibits favorable interactions with single wall carbon nanotubes (SWCNTs). The enthalpic and entropic penalties of mixing between these two molecules are reduced due to the polypeptide's aromatic sidechains and helical secondary structure, respectively. These enhanced interactions result in a well dispersed SWCNT/Poly (L-Leucine-ran-L-Phenylalanine) nanocomposite with enhanced mechanical and electrical properties using only shear mixing and sonication. At 0.5 wt% loading of SWCNT filler, the nanocomposite exhibits simultaneous increases in the Young's modulus, failure strain, and toughness of 8%, 120%, and 144%, respectively. At one kHz, the same nanotube loading level also enhances the dielectric constant from 2.95 to 22.81, while increasing the conductivity by four orders of magnitude.

The Structure and Properties of Silica Glass Nanostructures using Novel Computational Systems

NASA Astrophysics Data System (ADS)

Doblack, Benjamin N.

The structure and properties of silica glass nanostructures are examined using computational methods in this work. Standard synthesis methods of silica and its associated material properties are first discussed in brief. A review of prior experiments on this amorphous material is also presented. Background and methodology for the simulation of mechanical tests on amorphous bulk silica and nanostructures are later presented. A new computational system for the accurate and fast simulation of silica glass is also presented, using an appropriate interatomic potential for this material within the open-source molecular dynamics computer program LAMMPS. This alternative computational method uses modern graphics processors, Nvidia CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model select materials, this enhancement allows the addition of accelerated molecular dynamics simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal of this project is to investigate the structure and size dependent mechanical properties of silica glass nanohelical structures under tensile MD conditions using the innovative computational system. Specifically, silica nanoribbons and nanosprings are evaluated which revealed unique size dependent elastic moduli when compared to the bulk material. For the nanoribbons, the tensile behavior differed widely between the models simulated, with distinct characteristic extended elastic regions. In the case of the nanosprings simulated, more clear trends are observed. In particular, larger nanospring wire cross-sectional radii (r) lead to larger Young's moduli, while larger helical diameters (2R) resulted in smaller Young's moduli. Structural transformations and theoretical models are also analyzed to identify possible factors which might affect the mechanical response of silica nanostructures under tension. The work presented outlines an innovative simulation methodology, and discusses how results can be validated against prior experimental and simulation findings. The ultimate goal is to develop new computational methods for the study of nanostructures which will make the field of materials science more accessible, cost effective and efficient.

Two-fluid and finite Larmor radius effects on helicity evolution in a plasma pinch

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sauppe, J. P., E-mail: jpsauppe@gmail.com; Department of Physics, University of Wisconsin-Madison, 1150 University Avenue, Madison, Wisconsin 53706; Sovinec, C. R., E-mail: csovinec@wisc.edu

2016-03-15

The evolution of magnetic energy, helicity, and hybrid helicity during nonlinear relaxation of a driven-damped plasma pinch is compared in visco-resistive magnetohydrodynamics and two-fluid models with and without the ion gyroviscous stress tensor. Magnetic energy and helicity are supplied via a boundary electric field which initially balances the resistive dissipation, and the plasma undergoes multiple relaxation events during the nonlinear evolution. The magnetic helicity is well conserved relative to the magnetic energy over each event, which is short compared with the global resistive diffusion time. The magnetic energy decreases by roughly 1.5% of its initial value over a relaxation event,more » while the magnetic helicity changes by at most 0.2% of the initial value. The hybrid helicity is dominated by magnetic helicity in low-β pinch conditions and is also well conserved. Differences of less than 1% between magnetic helicity and hybrid helicity are observed with two-fluid modeling and result from cross helicity evolution. The cross helicity is found to change appreciably due to the first-order finite Larmor radius effects which have not been included in contemporary relaxation theories. The plasma current evolves towards the flat parallel current state predicted by Taylor relaxation theory but does not achieve it. Plasma flow develops significant structure for two-fluid models, and the flow perpendicular to the magnetic field is much more substantial than the flow along it.« less

A combined study of photospheric magnetic and current helicities and subsurface kinetic helicities of solar active regions during 2006-2013

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seligman, D.; Petrie, G. J. D.; Komm, R.

2014-11-10

We compare the average photospheric current helicity H{sub c} , photospheric twist parameter α (a well-known proxy for the full relative magnetic helicity), and subsurface kinetic helicity H{sub k} for 194 active regions observed between 2006-2013. We use 2440 Hinode photospheric vector magnetograms, and the corresponding subsurface fluid velocity data derived from GONG (2006-2012) and Helioseismic and Magnetic Imager (2010-2013) dopplergrams. We find a significant hemispheric bias in all three parameters. The subsurface kinetic helicity is preferentially positive in the southern hemisphere and negative in the northern hemisphere. The photospheric current helicity and the α parameter have the same biasmore » for strong fields (|B| > 1000 G) and no significant bias for weak fields (100 G <|B| < 500 G). We find no significant region-by-region correlation between the subsurface kinetic helicity and either the strong-field current helicity or α. Subsurface fluid motions of a given handedness correspond to photospheric helicities of both signs in approximately equal numbers. However, common variations appear in annual averages of these quantities over all regions. Furthermore, in a subset of 77 regions, we find significant correlations between the temporal profiles of the subsurface and photospheric helicities. In these cases, the sign of the linear correlation coefficient matches the sign relationship between the helicities, indicating that the photospheric magnetic field twist is sensitive to the twisting motions below the surface.« less

Three-dimensional printing of freeform helical microstructures: a review.

PubMed

Farahani, R D; Chizari, K; Therriault, D

2014-09-21

Three-dimensional (3D) printing is a fabrication method that enables creation of structures from digital models. Among the different structures fabricated by 3D printing methods, helical microstructures attracted the attention of the researchers due to their potential in different fields such as MEMS, lab-on-a-chip systems, microelectronics and telecommunications. Here we review different types of 3D printing methods capable of fabricating 3D freeform helical microstructures. The techniques including two more common microfabrication methods (i.e., focused ion beam chemical vapour deposition and microstereolithography) and also five methods based on computer-controlled robotic direct deposition of ink filament (i.e., fused deposition modeling, meniscus-confined electrodeposition, conformal printing on a rotating mandrel, UV-assisted and solvent-cast 3D printings) and their advantages and disadvantages regarding their utilization for the fabrication of helical microstructures are discussed. Focused ion beam chemical vapour deposition and microstereolithography techniques enable the fabrication of very precise shapes with a resolution down to ∼100 nm. However, these techniques may have material constraints (e.g., low viscosity) and/or may need special process conditions (e.g., vacuum chamber) and expensive equipment. The five other techniques based on robotic extrusion of materials through a nozzle are relatively cost-effective, however show lower resolution and less precise features. The popular fused deposition modeling method offers a wide variety of printable materials but the helical microstructures manufactured featured a less precise geometry compared to the other printing methods discussed in this review. The UV-assisted and the solvent-cast 3D printing methods both demonstrated high performance for the printing of 3D freeform structures such as the helix shape. However, the compatible materials used in these methods were limited to UV-curable polymers and polylactic acid (PLA), respectively. Meniscus-confined electrodeposition is a flexible, low cost technique that is capable of fabricating 3D structures both in nano- and microscales including freeform helical microstructures (down to few microns) under room conditions using metals. However, the metals suitable for this technique are limited to those that can be electrochemically deposited with the use of an electrolyte solution. The highest precision on the helix geometry was achieved using the conformal printing on a rotating mandrel. This method offers the lowest shape deformation after printing but requires more tools (e.g., mandrel, motor) and the printed structure must be separated from the mandrel. Helical microstructures made of multifunctional materials (e.g., carbon nanotube nanocomposites, metallic coated polymer template) were used in different technological applications such as strain/load sensors, cell separators and micro-antennas. These innovative 3D microsystems exploiting the unique helix shape demonstrated their potential for better performance and more compact microsystems.

Is Supramolecular Filament Chirality the Underlying Cause of Major Morphology Differences in Amyloid Fibrils?

PubMed Central

2015-01-01

The unique enhanced sensitivity of vibrational circular dichroism (VCD) to the formation and development of amyloid fibrils in solution is extended to four additional fibril-forming proteins or peptides where it is shown that the sign of the fibril VCD pattern correlates with the sense of supramolecular filament chirality and, without exception, to the dominant fibril morphology as observed in AFM or SEM images. Previously for insulin, it has been demonstrated that the sign of the VCD band pattern from filament chirality can be controlled by adjusting the pH of the incubating solution, above pH 2 for “normal” left-hand-helical filaments and below pH 2 for “reversed” right-hand-helical filaments. From AFM or SEM images, left-helical filaments form multifilament braids of left-twisted fibrils while the right-helical filaments form parallel filament rows of fibrils with a flat tape-like morphology, the two major classes of fibril morphology that from deep UV resonance Raman scattering exhibit the same cross-β-core secondary structure. Here we investigate whether fibril supramolecular chirality is the underlying cause of the major morphology differences in all amyloid fibrils by showing that the morphology (twisted versus flat) of fibrils of lysozyme, apo-α-lactalbumin, HET-s (218–289) prion, and a short polypeptide fragment of transthyretin, TTR (105–115), directly correlates to their supramolecular chirality as revealed by VCD. The result is strong evidence that the chiral supramolecular organization of filaments is the principal underlying cause of the morphological heterogeneity of amyloid fibrils. Because fibril morphology is linked to cell toxicity, the chirality of amyloid aggregates should be explored in the widely used in vitro models of amyloid-associated diseases. PMID:24484302

Is supramolecular filament chirality the underlying cause of major morphology differences in amyloid fibrils?

PubMed

Kurouski, Dmitry; Lu, Xuefang; Popova, Ludmila; Wan, William; Shanmugasundaram, Maruda; Stubbs, Gerald; Dukor, Rina K; Lednev, Igor K; Nafie, Laurence A

2014-02-12

The unique enhanced sensitivity of vibrational circular dichroism (VCD) to the formation and development of amyloid fibrils in solution is extended to four additional fibril-forming proteins or peptides where it is shown that the sign of the fibril VCD pattern correlates with the sense of supramolecular filament chirality and, without exception, to the dominant fibril morphology as observed in AFM or SEM images. Previously for insulin, it has been demonstrated that the sign of the VCD band pattern from filament chirality can be controlled by adjusting the pH of the incubating solution, above pH 2 for "normal" left-hand-helical filaments and below pH 2 for "reversed" right-hand-helical filaments. From AFM or SEM images, left-helical filaments form multifilament braids of left-twisted fibrils while the right-helical filaments form parallel filament rows of fibrils with a flat tape-like morphology, the two major classes of fibril morphology that from deep UV resonance Raman scattering exhibit the same cross-β-core secondary structure. Here we investigate whether fibril supramolecular chirality is the underlying cause of the major morphology differences in all amyloid fibrils by showing that the morphology (twisted versus flat) of fibrils of lysozyme, apo-α-lactalbumin, HET-s (218-289) prion, and a short polypeptide fragment of transthyretin, TTR (105-115), directly correlates to their supramolecular chirality as revealed by VCD. The result is strong evidence that the chiral supramolecular organization of filaments is the principal underlying cause of the morphological heterogeneity of amyloid fibrils. Because fibril morphology is linked to cell toxicity, the chirality of amyloid aggregates should be explored in the widely used in vitro models of amyloid-associated diseases.

The Cu2+-nitrilotriacetic acid complex improves loading of α-helical double histidine site for precise distance measurements by pulsed ESR

NASA Astrophysics Data System (ADS)

Ghosh, Shreya; Lawless, Matthew J.; Rule, Gordon S.; Saxena, Sunil

2018-01-01

Site-directed spin labeling using two strategically placed natural histidine residues allows for the rigid attachment of paramagnetic Cu2+. This double histidine (dHis) motif enables extremely precise, narrow distance distributions resolved by Cu2+-based pulsed ESR. Furthermore, the distance measurements are easily relatable to the protein backbone-structure. The Cu2+ ion has, till now, been introduced as a complex with the chelating agent iminodiacetic acid (IDA) to prevent unspecific binding. Recently, this method was found to have two limiting concerns that include poor selectivity towards α-helices and incomplete Cu2+-IDA complexation. Herein, we introduce an alternative method of dHis-Cu2+ loading using the nitrilotriacetic acid (NTA)-Cu2+ complex. We find that the Cu2+-NTA complex shows a four-fold increase in selectivity toward α-helical dHis sites. Furthermore, we show that 100% Cu2+-NTA complexation is achievable, enabling precise dHis loading and resulting in no free Cu2+ in solution. We analyze the optimum dHis loading conditions using both continuous wave and pulsed ESR. We implement these findings to show increased sensitivity of the Double Electron-Electron Resonance (DEER) experiment in two different protein systems. The DEER signal is increased within the immunoglobulin binding domain of protein G (called GB1). We measure distances between a dHis site on an α-helix and dHis site either on a mid-strand or a non-hydrogen bonded edge-strand β-sheet. Finally, the DEER signal is increased twofold within two α-helix dHis sites in the enzymatic dimer glutathione S-transferase exemplifying the enhanced α-helical selectivity of Cu2+-NTA.

Stimuli-Driven Control of the Helical Axis of Self-Organized Soft Helical Superstructures.

PubMed

Bisoyi, Hari Krishna; Bunning, Timothy J; Li, Quan

2018-06-01

Supramolecular and macromolecular functional helical superstructures are ubiquitous in nature and display an impressive catalog of intriguing and elegant properties and performances. In materials science, self-organized soft helical superstructures, i.e., cholesteric liquid crystals (CLCs), serve as model systems toward the understanding of morphology- and orientation-dependent properties of supramolecular dynamic helical architectures and their potential for technological applications. Moreover, most of the fascinating device applications of CLCs are primarily determined by different orientations of the helical axis. Here, the control of the helical axis orientation of CLCs and its dynamic switching in two and three dimensions using different external stimuli are summarized. Electric-field-, magnetic-field-, and light-irradiation-driven orientation control and reorientation of the helical axis of CLCs are described and highlighted. Different techniques and strategies developed to achieve a uniform lying helix structure are explored. Helical axis control in recently developed heliconical cholesteric systems is examined. The control of the helical axis orientation in spherical geometries such as microdroplets and microshells fabricated from these enticing photonic fluids is also explored. Future challenges and opportunities in this exciting area involving anisotropic chiral liquids are then discussed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The global distribution of magnetic helicity in the solar corona

NASA Astrophysics Data System (ADS)

Yeates, A. R.; Hornig, G.

2016-10-01

By defining an appropriate field line helicity, we apply the powerful concept of magnetic helicity to the problem of global magnetic field evolution in the Sun's corona. As an ideal-magnetohydrodynamic invariant, the field line helicity is a meaningful measure of how magnetic helicity is distributed within the coronal volume. It may be interpreted, for each magnetic field line, as a magnetic flux linking with that field line. Using magneto-frictional simulations, we investigate how field line helicity evolves in the non-potential corona as a result of shearing by large-scale motions on the solar surface. On open magnetic field lines, the helicity injected by the Sun is largely output to the solar wind, provided that the coronal relaxation is sufficiently fast. But on closed magnetic field lines, helicity is able to build up. We find that the field line helicity is non-uniformly distributed, and is highly concentrated in twisted magnetic flux ropes. Eruption of these flux ropes is shown to lead to sudden bursts of helicity output, in contrast to the steady flux along the open magnetic field lines. Movies are available at http://www.aanda.org

Comparison of magnetic helicity close to the sun and in magnetic clouds

NASA Astrophysics Data System (ADS)

Rust, D.

Magnetic helicity is present in the solar atmosphere - as inferred from vector magnetograph measurements, solar filaments, S-shaped coronal structures known as sigmoids, and sunspot whorls. I will survey the possible solar sources of this magnetic helicity. Included are fieldline footpoint motions, effects of Coriolis forces, effects of convection, shear associated with differential rotation, and, of course, the internal dynamo. Besides the survey of possible local mechanisms for helicity generation, I will consider the global view of the flow of helicity from the sun into interplanetary space. The principal agents by which the sun sheds helicity are coronal mass ejections (CMEs). They are often associated with interplanetary magnetic clouds (MCs), whose fields are regularly probed with sensitive spacecraft magnetometers. MCs yield more direct measurements of helicity. They show that each MC carries helicity away from the sun. A major issue in solar-heliospheric research is whether the amount of helicity that MCs carry away in a solar cycle can be accounted for by the helicity generation mechanisms proposed so far. The NASA Solar and Heliospheric Physics Program supports this work under grants NAG5- 7921 and NAG 5-11584.

Asymptotic/numerical analysis of supersonic propeller noise

NASA Technical Reports Server (NTRS)

Myers, M. K.; Wydeven, R.

1989-01-01

An asymptotic analysis based on the Mach surface structure of the field of a supersonic helical source distribution is applied to predict thickness and loading noise radiated by high speed propeller blades. The theory utilizes an integral representation of the Ffowcs-Williams Hawkings equation in a fully linearized form. The asymptotic results are used for chordwise strips of the blade, while required spanwise integrations are performed numerically. The form of the analysis enables predicted waveforms to be interpreted in terms of Mach surface propagation. A computer code developed to implement the theory is described and found to yield results in close agreement with more exact computations.

A computational study of the topology of vortex breakdown

NASA Technical Reports Server (NTRS)

Spall, Robert E.; Gatski, Thomas B.

1991-01-01

A fully three-dimensional numerical simulation of vortex breakdown using the unsteady, incompressible Navier-Stokes equations has been performed. Solutions to four distinct types of breakdown are identified and compared with experimental results. The computed solutions include weak helical, double helix, spiral, and bubble-type breakdowns. The topological structure of the various breakdowns as well as their interrelationship are studied. The data reveal that the asymmetric modes of breakdown may be subject to additional breakdowns as the vortex core evolves in the streamwise direction. The solutions also show that the freestream axial velocity distribution has a significant effect on the position and type of vortex breakdown.

Autonomously folded α-helical lockers promote RNAi*

NASA Astrophysics Data System (ADS)

Guyader, Christian P. E.; Lamarre, Baptiste; de Santis, Emiliana; Noble, James E.; Slater, Nigel K.; Ryadnov, Maxim G.

2016-10-01

RNAi is an indispensable research tool with a substantial therapeutic potential. However, the complete transition of the approach to an applied capability remains hampered due to poorly understood relationships between siRNA delivery and gene suppression. Here we propose that interfacial tertiary contacts between α-helices can regulate siRNA cytoplasmic delivery and RNAi. We introduce a rationale of helical amphipathic lockers that differentiates autonomously folded helices, which promote gene silencing, from helices folded with siRNA, which do not. Each of the helical designs can deliver siRNA into cells via energy-dependent endocytosis, while only autonomously folded helices with pre-locked hydrophobic interfaces were able to promote statistically appreciable gene silencing. We propose that it is the amphipathic locking of interfacing helices prior to binding to siRNA that enables RNAi. The rationale offers structurally balanced amphipathic scaffolds to advance the exploitation of functional RNAi.

Autonomously folded α-helical lockers promote RNAi*

PubMed Central

Guyader, Christian P. E.; Lamarre, Baptiste; De Santis, Emiliana; Noble, James E.; Slater, Nigel K.; Ryadnov, Maxim G.

2016-01-01

RNAi is an indispensable research tool with a substantial therapeutic potential. However, the complete transition of the approach to an applied capability remains hampered due to poorly understood relationships between siRNA delivery and gene suppression. Here we propose that interfacial tertiary contacts between α-helices can regulate siRNA cytoplasmic delivery and RNAi. We introduce a rationale of helical amphipathic lockers that differentiates autonomously folded helices, which promote gene silencing, from helices folded with siRNA, which do not. Each of the helical designs can deliver siRNA into cells via energy-dependent endocytosis, while only autonomously folded helices with pre-locked hydrophobic interfaces were able to promote statistically appreciable gene silencing. We propose that it is the amphipathic locking of interfacing helices prior to binding to siRNA that enables RNAi. The rationale offers structurally balanced amphipathic scaffolds to advance the exploitation of functional RNAi. PMID:27721465

Autonomously folded α-helical lockers promote RNAi.

PubMed

Guyader, Christian P E; Lamarre, Baptiste; De Santis, Emiliana; Noble, James E; Slater, Nigel K; Ryadnov, Maxim G

2016-10-10

RNAi is an indispensable research tool with a substantial therapeutic potential. However, the complete transition of the approach to an applied capability remains hampered due to poorly understood relationships between siRNA delivery and gene suppression. Here we propose that interfacial tertiary contacts between α-helices can regulate siRNA cytoplasmic delivery and RNAi. We introduce a rationale of helical amphipathic lockers that differentiates autonomously folded helices, which promote gene silencing, from helices folded with siRNA, which do not. Each of the helical designs can deliver siRNA into cells via energy-dependent endocytosis, while only autonomously folded helices with pre-locked hydrophobic interfaces were able to promote statistically appreciable gene silencing. We propose that it is the amphipathic locking of interfacing helices prior to binding to siRNA that enables RNAi. The rationale offers structurally balanced amphipathic scaffolds to advance the exploitation of functional RNAi.

Self-Assembly of Helical Ribbons

NASA Astrophysics Data System (ADS)

Zastavker, Yevgeniya V.; Asherie, Neer; Lomakin, Aleksey; Pande, Jayanti; Donovan, Joanne M.; Schnur, Joel M.; Benedek, George B.

1999-07-01

The self-assembly of helical ribbons is examined in a variety of multicomponent enantiomerically pure systems that contain a bile salt or a nonionic detergent, a phosphatidylcholine or a fatty acid, and a steroid analog of cholesterol. In almost all systems, two different pitch types of helical ribbons are observed: high pitch, with a pitch angle of 54± 2 degrees, and low pitch, with a pitch angle of 11± 2 degrees. Although the majority of these helices are right-handed, a small proportion of left-handed helices is observed. Additionally, a third type of helical ribbon, with a pitch angle in the range 30-47 degrees, is occasionally found. These experimental findings suggest that the helical ribbons are crystalline rather than liquid crystal in nature and also suggest that molecular chirality may not be the determining factor in helix formation. The large yields of helices produced will permit a systematic investigation of their individual kinetic evolution and their elastic moduli.

Cascades of energy and helicity in axisymmetric turbulence

NASA Astrophysics Data System (ADS)

Qu, Bo; Naso, Aurore; Bos, Wouter J. T.

2018-01-01

A spectral analysis of strictly axisymmetric turbulence is performed. Both freely decaying and statistically steady flows are considered. In helical flows we identify a dual cascade, where energy is transferred towards the large scales and helicity to the smallest ones. It is shown that even in the absence of net helicity, a dual cascade persists, transferring energy backward and positively and negatively polarized helicity fluctuations forward.

Measurements of Magnetic Helicity within Two Interacting Flux Ropes

NASA Astrophysics Data System (ADS)

Dehaas, Timothy; Gekelman, Walter

2016-10-01

Magnetic helicity (HM) has become a useful tool in the exploration of astrophysical plasmas. Its conservation in the MHD limit (and even some fluid approaches) constrains the global behavior of large plasma structures. One such astrophysical structure is a magnetic flux rope: a rope-like, current-carrying plasma embedded in an external magnetic field. Bundles of these ropes are commonly observed extending from the solar surface and can be found in the near-earth environment. In this well-diagnosed experiment (3D measurements of ne, Te, Vp, B, J, E, uflow) , two magnetic flux ropes were generated in the Large Plasma Device at UCLA. These ropes were driven kink-unstable, commencing complex motion. As they interact, helicity conservation is broken in regions of reconnection, turbulence, and instabilities. The changes in helicity can be visualized as 1) the transport of helicity (ϕB +E × A) and 2) the dissipation of the helicity (-2EB). Magnetic helicity is observed to have a negative sign and its counterpart, cross helicity, a positive one. These qualities oscillate 8% peak-to-peak. As the ropes move and the topology of the field lines change, a quasi-separatrix layer (QSL) is formed. The volume averaged HM and the largest value of Q both oscillate but not in phase. In addition to magnetic helicity, similar quantities such as self-helicity, mutual-helicity, vorticity, and canonical helicity are derived and will be presented. This work is supported by LANL-UC research Grant and done at the Basic Plasma Science Facility, which is funded by DOE and NSF.

Patient-specific radiation dose and cancer risk estimation in CT: Part I. Development and validation of a Monte Carlo program

PubMed Central

Li, Xiang; Samei, Ehsan; Segars, W. Paul; Sturgeon, Gregory M.; Colsher, James G.; Toncheva, Greta; Yoshizumi, Terry T.; Frush, Donald P.

2011-01-01

Purpose: Radiation-dose awareness and optimization in CT can greatly benefit from a dose-reporting system that provides dose and risk estimates specific to each patient and each CT examination. As the first step toward patient-specific dose and risk estimation, this article aimed to develop a method for accurately assessing radiation dose from CT examinations. Methods: A Monte Carlo program was developed to model a CT system (LightSpeed VCT, GE Healthcare). The geometry of the system, the energy spectra of the x-ray source, the three-dimensional geometry of the bowtie filters, and the trajectories of source motions during axial and helical scans were explicitly modeled. To validate the accuracy of the program, a cylindrical phantom was built to enable dose measurements at seven different radial distances from its central axis. Simulated radial dose distributions in the cylindrical phantom were validated against ion chamber measurements for single axial scans at all combinations of tube potential and bowtie filter settings. The accuracy of the program was further validated using two anthropomorphic phantoms (a pediatric one-year-old phantom and an adult female phantom). Computer models of the two phantoms were created based on their CT data and were voxelized for input into the Monte Carlo program. Simulated dose at various organ locations was compared against measurements made with thermoluminescent dosimetry chips for both single axial and helical scans. Results: For the cylindrical phantom, simulations differed from measurements by −4.8% to 2.2%. For the two anthropomorphic phantoms, the discrepancies between simulations and measurements ranged between (−8.1%, 8.1%) and (−17.2%, 13.0%) for the single axial scans and the helical scans, respectively. Conclusions: The authors developed an accurate Monte Carlo program for assessing radiation dose from CT examinations. When combined with computer models of actual patients, the program can provide accurate dose estimates for specific patients. PMID:21361208

Determination of consistent patterns of range of motion in the ankle joint with a computed tomography stress-test.

PubMed

Tuijthof, Gabriëlle Josephine Maria; Zengerink, Maartje; Beimers, Lijkele; Jonges, Remmet; Maas, Mario; van Dijk, Cornelis Niek; Blankevoort, Leendert

2009-07-01

Measuring the range of motion of the ankle joint can assist in accurate diagnosis of ankle laxity. A computed tomography-based stress-test (3D CT stress-test) was used that determines the three-dimensional position and orientation of tibial, calcaneal and talar bones. The goal was to establish a quantitative database of the normal ranges of motion of the talocrural and subtalar joints. A clinical case on suspected subtalar instability demonstrated the relevance the proposed method. The range of motion was measured for the ankle joints in vivo for 20 subjects using the 3D CT stress-test. Motion of the tibia and calcaneus relative to the talus for eight extreme foot positions were described by helical parameters. High consistency for finite helical axis orientation (n) and rotation (theta) was shown for: talocrural extreme dorsiflexion to extreme plantarflexion (root mean square direction deviation (eta) 5.3 degrees and theta: SD 11.0 degrees), talorucral and subtalar extreme combined eversion-dorsiflexion to combined inversion-plantarflexion (eta: 6.7 degrees , theta: SD 9.0 degrees and eta:6.3 degrees , theta: SD 5.1 degrees), and subtalar extreme inversion to extreme eversion (eta: 6.4 degrees, theta: SD 5.9 degrees). Nearly all dorsi--and plantarflexion occurs in the talocrural joint (theta: mean 63.3 degrees (SD 11 degrees)). The inversion and internal rotation components for extreme eversion to inversion were approximately three times larger for the subtalar joint (theta: mean 22.9 degrees and 29.1 degrees) than for the talocrural joint (theta: mean 8.8 degrees and 10.7 degrees). Comparison of the ranges of motion of the pathologic ankle joint with the healthy subjects showed an increased inversion and axial rotation in the talocrural joint instead of in the suspected subtalar joint. The proposed diagnostic technique and the acquired database of helical parameters of ankle joint ranges of motion are suitable to apply in clinical cases.

A methodology for direct quantification of over-ranging length in helical computed tomography with real-time dosimetry.

PubMed

Tien, Christopher J; Winslow, James F; Hintenlang, David E

2011-01-31

In helical computed tomography (CT), reconstruction information from volumes adjacent to the clinical volume of interest (VOI) is required for proper reconstruction. Previous studies have relied upon either operator console readings or indirect extrapolation of measurements in order to determine the over-ranging length of a scan. This paper presents a methodology for the direct quantification of over-ranging dose contributions using real-time dosimetry. A Siemens SOMATOM Sensation 16 multislice helical CT scanner is used with a novel real-time "point" fiber-optic dosimeter system with 10 ms temporal resolution to measure over-ranging length, which is also expressed in dose-length-product (DLP). Film was used to benchmark the exact length of over-ranging. Over-ranging length varied from 4.38 cm at pitch of 0.5 to 6.72 cm at a pitch of 1.5, which corresponds to DLP of 131 to 202 mGy-cm. The dose-extrapolation method of Van der Molen et al. yielded results within 3%, while the console reading method of Tzedakis et al. yielded consistently larger over-ranging lengths. From film measurements, it was determined that Tzedakis et al. overestimated over-ranging lengths by one-half of beam collimation width. Over-ranging length measured as a function of reconstruction slice thicknesses produced two linear regions similar to previous publications. Over-ranging is quantified with both absolute length and DLP, which contributes about 60 mGy-cm or about 10% of DLP for a routine abdominal scan. This paper presents a direct physical measurement of over-ranging length within 10% of previous methodologies. Current uncertainties are less than 1%, in comparison with 5% in other methodologies. Clinical implantation can be increased by using only one dosimeter if codependence with console readings is acceptable, with an uncertainty of 1.1% This methodology will be applied to different vendors, models, and postprocessing methods--which have been shown to produce over-ranging lengths differing by 125%.

Numerical simulation of helical flow in a cylindrical channel

NASA Astrophysics Data System (ADS)

Vasiliev, A.; Sukhanovskii, A.; Stepanov, R.

2017-06-01

Numerical simulation of the helical flow in a cylindrical channel with diverter was carried out using open-source software OpenFOAM Extend 4.0. The velocity, vorticity and helicity density distributions were analyzed. It was shown that azimithal contribution of helicity is negative near the wall and positive in the center. In opposite axial helicity contribution is negative in the center and positive near the wall. Analysis of helicity of non-axisymmetric part of the flow showed that it has substantial values near the diverter but than rapidly decreases with y (axial coordinate) and further downstream it can be neglected. Dependencies of integrated values of azimuthal Hϕ and axial Hy contributions of helicity density on y show a remarkable quantitative similarity. It was found that integral values of Hϕ and Hy are negative for all y. Magnitudes of Hϕ and Hy decrease after the diverter up to y ≈ 70 mm and after that monotonically increase. The flow behind the diverter is characterized by substantial amount of helicity and can be used as a helicity generator.

Ruby-Helix: an implementation of helical image processing based on object-oriented scripting language.

PubMed

Metlagel, Zoltan; Kikkawa, Yayoi S; Kikkawa, Masahide

2007-01-01

Helical image analysis in combination with electron microscopy has been used to study three-dimensional structures of various biological filaments or tubes, such as microtubules, actin filaments, and bacterial flagella. A number of packages have been developed to carry out helical image analysis. Some biological specimens, however, have a symmetry break (seam) in their three-dimensional structure, even though their subunits are mostly arranged in a helical manner. We refer to these objects as "asymmetric helices". All the existing packages are designed for helically symmetric specimens, and do not allow analysis of asymmetric helical objects, such as microtubules with seams. Here, we describe Ruby-Helix, a new set of programs for the analysis of "helical" objects with or without a seam. Ruby-Helix is built on top of the Ruby programming language and is the first implementation of asymmetric helical reconstruction for practical image analysis. It also allows easier and semi-automated analysis, performing iterative unbending and accurate determination of the repeat length. As a result, Ruby-Helix enables us to analyze motor-microtubule complexes with higher throughput to higher resolution.

Benchmark of the local drift-kinetic models for neoclassical transport simulation in helical plasmas

NASA Astrophysics Data System (ADS)

Huang, B.; Satake, S.; Kanno, R.; Sugama, H.; Matsuoka, S.

2017-02-01

The benchmarks of the neoclassical transport codes based on the several local drift-kinetic models are reported here. Here, the drift-kinetic models are zero orbit width (ZOW), zero magnetic drift, DKES-like, and global, as classified in Matsuoka et al. [Phys. Plasmas 22, 072511 (2015)]. The magnetic geometries of Helically Symmetric Experiment, Large Helical Device (LHD), and Wendelstein 7-X are employed in the benchmarks. It is found that the assumption of E ×B incompressibility causes discrepancy of neoclassical radial flux and parallel flow among the models when E ×B is sufficiently large compared to the magnetic drift velocities. For example, Mp≤0.4 where Mp is the poloidal Mach number. On the other hand, when E ×B and the magnetic drift velocities are comparable, the tangential magnetic drift, which is included in both the global and ZOW models, fills the role of suppressing unphysical peaking of neoclassical radial-fluxes found in the other local models at Er≃0 . In low collisionality plasmas, in particular, the tangential drift effect works well to suppress such unphysical behavior of the radial transport caused in the simulations. It is demonstrated that the ZOW model has the advantage of mitigating the unphysical behavior in the several magnetic geometries, and that it also implements the evaluation of bootstrap current in LHD with the low computation cost compared to the global model.

Finite size effect on hydrogen bond cooperativity in (Ala)n polypeptides: A DFT study using numeric atom-centered orbitals

NASA Astrophysics Data System (ADS)

Blum, Volker; Ireta, Joel; Scheffler, Matthias

2007-03-01

An accurate representation of the energetic contribution Ehb of hydrogen bonds to structure formation is paramount to understand the secondary structure stability of proteins, both qualitatively and quantitatively. However, Ehb depends strongly on its environment, and even on the surrounding peptide conformation itself. For instance, a short α-helical polypeptide (Ala)4 can not be stabilized by its single hydrogen bond, whereas an infinite α-helical chain (Ala)∞ is clearly energetically stable over a fully extended conformation. We here use all-electron density functional calculations in the PBE generalized gradient approximation by a recently developed, computationally efficient numeric atom-centered orbital based code^1 to investigate this H-bond cooperativity that is intrinsic to Alanine-based polypeptides (Ala)n (n=1-20,∞). We compare finite and infinite prototypical helical conformations (α, π, 310) on equal footing, with both neutral and ionic termination for finite (Ala)n peptides. Moderately sized NAO basis sets allow to capture Ehb with meV accuracy, revealing a clear jump in Ehb (cooperativity) when two H-bonds first appear in line, followed by slower and more continuous increase of Ehb towards n->∞. ^1 V. Blum, R. Gehrke, P. Havu, V. Havu, M. Scheffler, The FHI Ab Initio Molecular Simulations (aims) Project, Fritz-Haber-Institut, Berlin (2006).

Frequency of resonance of human sweat duct in different modes of operation

NASA Astrophysics Data System (ADS)

Tripathi, Saroj R.; Takahashi, Shogo; Kinumura, Kento; Kawase, Kodo

2018-02-01

Recently, some studies have demonstrated that the sweat ducts present in the skin play a significant role in terahertz (THz) wave interaction with human beings. It was reported that the sweat ducts act as a low-Q-factor helical antenna due to their helical structure, and resonate in the sub-terahertz frequency range according to their structural parameters, such as helix diameter and helix length. According to the antenna theory, a helical antenna resonates in two different modes of operation known as normal mode and axial mode and the dimension of the helix plays a key role to determine the frequency of resonance. Therefore, here we performed the optical coherence tomography (OCT) of number of human subjects on their palm and foot to investigate the density, distribution and morphological features of sweat ducts. Moreover, we calculated the dielectric properties of human skin using terahertz time domain spectroscopy. Based on the structural parameters of human sweat ducts and its THz dielectric properties of surrounding medium, we computed the frequency of resonance of sweat duct in different modes of operation and we found that these ducts resonate in subterahertz frequency region. We believe that these findings will facilitate further investigation of the THz-skin interaction and provide guidelines for safety levels with respect to human exposure to electromagnetic waves at these frequencies.

Estimating loop length from CryoEM images at medium resolutions.

PubMed

McKnight, Andrew; Si, Dong; Al Nasr, Kamal; Chernikov, Andrey; Chrisochoides, Nikos; He, Jing

2013-01-01

De novo protein modeling approaches utilize 3-dimensional (3D) images derived from electron cryomicroscopy (CryoEM) experiments. The skeleton connecting two secondary structures such as α-helices represent the loop in the 3D image. The accuracy of the skeleton and of the detected secondary structures are critical in De novo modeling. It is important to measure the length along the skeleton accurately since the length can be used as a constraint in modeling the protein. We have developed a novel computational geometric approach to derive a simplified curve in order to estimate the loop length along the skeleton. The method was tested using fifty simulated density images of helix-loop-helix segments of atomic structures and eighteen experimentally derived density data from Electron Microscopy Data Bank (EMDB). The test using simulated density maps shows that it is possible to estimate within 0.5 Å of the expected length for 48 of the 50 cases. The experiments, involving eighteen experimentally derived CryoEM images, show that twelve cases have error within 2 Å. The tests using both simulated and experimentally derived images show that it is possible for our proposed method to estimate the loop length along the skeleton if the secondary structure elements, such as α-helices, can be detected accurately, and there is a continuous skeleton linking the α-helices.

Locoregional Control and Toxicity in Head and Neck Carcinoma Patients following Helical Tomotherapy-Delivered Intensity-Modulated Radiation Therapy Compared with 3D-CRT Data.

PubMed

Santa Cruz, Olalla; Tsoutsou, Pelagia; Castella, Cyril; Khanfir, Kaouthar; Anchisi, Sandro; Bouayed, Salim; Matzinger, Oscar; Ozsahin, Mahmut

2018-06-12

To assess the feasibility and efficacy of intensity-modulated radiation implemented with helical tomotherapy image-guided with daily megavoltage computed tomography for head and neck cancer. Between May 2010 and May 2013, 72 patients were treated with curative intent. The median age was 64 years, with 57% undergoing definitive and 43% postoperative radiotherapy. Primary tumour sites were oral cavity (21%), oropharynx (26%), hypopharynx (20%), larynx (22%), and others (11%). Staging included 4% stage I, 15% II, 26% III, 48% IVa, and 7% IVb. Radiotherapy was combined with chemotherapy in 64%. Primary endpoint was locoregional control, and secondary endpoints survival and toxicity. Median follow-up was 20 months, with 11 locoregional recurrences. Three-year disease-free survival was 58% and overall survival 57%. In the multivariate analysis, age under 64 years, no extracapsular extension, postoperative radiotherapy, induction chemotherapy, and non-oral cavity tumour were significant favourable prognostic factors for disease-free-survival. The overall incidence of acute grade ≥3 toxicities were mucositis 32%, pain 11%, xerostomia 7%, dysphagia 53%, radiodermatitis 44%, and osteonecrosis 1%. Late grade ≥3 toxicities were fibrosis 6%, dysphagia 21%, fistula 1%, and skin necrosis 1%. Intensity-modulated radiation with helical tomotherapy achieved respectable locoregional control and overall survival, with acceptable toxicity, in head and neck cancer patients. © 2018 S. Karger AG, Basel.

New GaN based HEMT with Si3N4 or un-doped region in the barrier for high power applications

NASA Astrophysics Data System (ADS)

Razavi, S. M.; Tahmasb Pour, S.; Najari, P.

2018-06-01

New AlGaN/GaN high electron mobility transistors (HEMTs) that their barrier layers under the gate are divided into two regions horizontally are presented in this work. Upper region is Si3N4 (SI-HEMT) or un-doped AlGaN (UN-HEMT) and lower region is AlGaN with heavier doping compared to barrier layer. Upper region in SI-HEMT and UN-HEMT reduces peak electric field in the channel and then improves breakdown voltage considerably. Lower region increases electron density in the two dimensional electron gas (2-DEG) and enhances drain current significantly. For instance, saturated drain current in SI-HEMT is about 100% larger than that in the conventional one. Moreover, the maximum breakdown voltage in the proposed structures is 65 V. This value is about 30% larger than that in the conventional transistor (50 V). Also, suggested structure reduces short channel effect such as DIBL. The maximum gm is obtained in UN-HEMT and conventional devices. Proposed structures improve breakdown voltage and saturated drain current and then enhance maximum output power density. Maximum output power density in the new structures is about 150% higher than that in the conventional.

Static-transmission-error vibratory-excitation contributions from plastically deformed gear teeth caused by tooth bending-fatigue damage

NASA Astrophysics Data System (ADS)

Mark, W. D.; Reagor, C. P.

2007-02-01

To assess gear health and detect gear-tooth damage, the vibratory response from meshing gear-pair excitations is commonly monitored by accelerometers. In an earlier paper, strong evidence was presented suggesting that, in the case of tooth bending-fatigue damage, the principal source of detectable damage is whole-tooth plastic deformation; i.e. yielding, rather than changes in tooth stiffness caused by tooth-root cracks. Such plastic deformations are geometric deviation contributions to the "static-transmission-error" (STE) vibratory excitation caused by meshing gear pairs. The STE contributions caused by two likely occurring forms of such plastic deformations on a single tooth are derived, and displayed in the time domain as a function of involute "roll distance." Example calculations are provided for transverse contact ratios of Qt=1.4 and 1.8, for spur gears and for helical-gear axial contact ratios ranging from Qa=1.2 to Qa=3.6. Low-pass- and band-pass-filtered versions of these same STE contributions also are computed and displayed in the time domain. Several calculations, consisting of superposition of the computed STE tooth-meshing fundamental harmonic contribution and the band-pass STE contribution caused by a plastically deformed tooth, exhibit the amplitude and frequency or phase modulation character commonly observed in accelerometer-response waveforms caused by damaged teeth. General formulas are provided that enable computation of these STE vibratory-excitation contributions for any form of plastic deformation on any number of teeth for spur and helical gears with any contact ratios.

Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore.

PubMed

Fry, H Christopher; Lehmann, Andreas; Saven, Jeffery G; DeGrado, William F; Therien, Michael J

2010-03-24

The first example of a computationally de novo designed protein that binds an emissive abiological chromophore is presented, in which a sophisticated level of cofactor discrimination is pre-engineered. This heterotetrameric, C(2)-symmetric bundle, A(His):B(Thr), uniquely binds (5,15-di[(4-carboxymethyleneoxy)phenyl]porphinato)zinc [(DPP)Zn] via histidine coordination and complementary noncovalent interactions. The A(2)B(2) heterotetrameric protein reflects ligand-directed elements of both positive and negative design, including hydrogen bonds to second-shell ligands. Experimental support for the appropriate formulation of [(DPP)Zn:A(His):B(Thr)](2) is provided by UV/visible and circular dichroism spectroscopies, size exclusion chromatography, and analytical ultracentrifugation. Time-resolved transient absorption and fluorescence spectroscopic data reveal classic excited-state singlet and triplet PZn photophysics for the A(His):B(Thr):(DPP)Zn protein (k(fluorescence) = 4 x 10(8) s(-1); tau(triplet) = 5 ms). The A(2)B(2) apoprotein has immeasurably low binding affinities for related [porphinato]metal chromophores that include a (DPP)Fe(III) cofactor and the zinc metal ion hemin derivative [(PPIX)Zn], underscoring the exquisite active-site binding discrimination realized in this computationally designed protein. Importantly, elements of design in the A(His):B(Thr) protein ensure that interactions within the tetra-alpha-helical bundle are such that only the heterotetramer is stable in solution; corresponding homomeric bundles present unfavorable ligand-binding environments and thus preclude protein structural rearrangements that could lead to binding of (porphinato)iron cofactors.

β-sheet-like hydrogen bonds interlock the helical turns of a photoswitchable foldamer to enhance the binding and release of chloride.

PubMed

Lee, Semin; Hua, Yuran; Flood, Amar H

2014-09-05

Inspired by halorhodopsin's use of photoisomerization to regulate chloride, aryltriazole-based foldamers have been created to "catch and release" chloride ions upon light irradiation of end-appended azobenzenes. The proposed mode of stabilization exploits a β-sheet-like hydrogen-bonding array to cooperatively interlock the ends of a foldamer together with its helical core. We find that the hydrogen-bonding array has a greater influence on stabilizing the helix than the π-stacked seam under the conditions examined (50:50 MeCN/THF). Thus, we show how it is possible to enhance the difference between Cl(-) binding and release using light-dependent control over the foldamer's degree of helix stabilization. Making and breaking three π-π contacts with light caused an 8-fold change in chloride affinity (40 300 M(-1) ⇄ 5000 M(-1)), five π-π contacts produced a 17-fold change (126 000 M(-1) ⇄ 7400 M(-1)), and strategically located hydrogen-bonding units enabled a greater 84-fold differential (970 000 M(-1) ⇄ 11 600 M(-1)). The improved performances were attributed to stepwise increases in the preorganization of the binding pocket that catches chloride while leaving the cis states with just one π-π contact relatively unchanged.

The electrostatic characteristics of G·U wobble base pairs

PubMed Central

Xu, Darui; Landon, Theresa; Greenbaum, Nancy L.; Fenley, Marcia O.

2007-01-01

G·U wobble base pairs are the most common and highly conserved non-Watson–Crick base pairs in RNA. Previous surface maps imply uniformly negative electrostatic potential at the major groove of G·U wobble base pairs embedded in RNA helices, suitable for entrapment of cationic ligands. In this work, we have used a Poisson–Boltzmann approach to gain a more detailed and accurate characterization of the electrostatic profile. We found that the major groove edge of an isolated G·U wobble displays distinctly enhanced negativity compared with standard GC or AU base pairs; however, in the context of different helical motifs, the electrostatic pattern varies. G·U wobbles with distinct widening have similar major groove electrostatic potentials to their canonical counterparts, whereas those with minimal widening exhibit significantly enhanced electronegativity, ranging from 0.8 to 2.5 kT/e, depending upon structural features. We propose that the negativity at the major groove of G·U wobble base pairs is determined by the combined effect of the base atoms and the sugar-phosphate backbone, which is impacted by stacking pattern and groove width as a result of base sequence. These findings are significant in that they provide predictive power with respect to which G·U sites in RNA are most likely to bind cationic ligands. PMID:17526525

Faraday signature of magnetic helicity from reduced depolarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brandenburg, Axel; Stepanov, Rodion

2014-05-10

Using one-dimensional models, we show that a helical magnetic field with an appropriate sign of helicity can compensate the Faraday depolarization resulting from the superposition of Faraday-rotated polarization planes from a spatially extended source. For radio emission from a helical magnetic field, the polarization as a function of the square of the wavelength becomes asymmetric with respect to zero. Mathematically speaking, the resulting emission occurs then either at observable or at unobservable (imaginary) wavelengths. We demonstrate that rotation measure (RM) synthesis allows for the reconstruction of the underlying Faraday dispersion function in the former case, but not in the latter.more » The presence of positive magnetic helicity can thus be detected by observing positive RM in highly polarized regions in the sky and negative RM in weakly polarized regions. Conversely, negative magnetic helicity can be detected by observing negative RM in highly polarized regions and positive RM in weakly polarized regions. The simultaneous presence of two magnetic constituents with opposite signs of helicity is shown to possess signatures that can be quantified through polarization peaks at specific wavelengths and the gradient of the phase of the Faraday dispersion function. Similar polarization peaks can tentatively also be identified for the bi-helical magnetic fields that are generated self-consistently by a dynamo from helically forced turbulence, even though the magnetic energy spectrum is then continuous. Finally, we discuss the possibility of detecting magnetic fields with helical and non-helical properties in external galaxies using the Square Kilometre Array.« less

Fission product release and survivability of UN-kernel LWR TRISO fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

T. M. Besmann; M. K. Ferber; H.-T. Lin

2014-05-01

A thermomechanical assessment of the LWR application of TRISO fuel with UN kernels was performed. Fission product release under operational and transient temperature conditions was determined by extrapolation from fission product recoil calculations and limited data from irradiated UN pellets. Both fission recoil and diffusive release were considered and internal particle pressures computed for both 650 and 800 um diameter kernels as a function of buffer layer thickness. These pressures were used in conjunction with a finite element program to compute the radial and tangential stresses generated within a TRISO particle undergoing burnup. Creep and swelling of the inner andmore » outer pyrolytic carbon layers were included in the analyses. A measure of reliability of the TRISO particle was obtained by computing the probability of survival of the SiC barrier layer and the maximum tensile stress generated in the pyrolytic carbon layers from internal pressure and thermomechanics of the layers. These reliability estimates were obtained as functions of the kernel diameter, buffer layer thickness, and pyrolytic carbon layer thickness. The value of the probability of survival at the end of irradiation was inversely proportional to the maximum pressure.« less

Structures of the transmembrane helices of the G-protein coupled receptor, rhodopsin.

PubMed

Katragadda, M; Chopra, A; Bennett, M; Alderfer, J L; Yeagle, P L; Albert, A D

2001-07-01

An hypothesis is tested that individual peptides corresponding to the transmembrane helices of the membrane protein, rhodopsin, would form helices in solution similar to those in the native protein. Peptides containing the sequences of helices 1, 4 and 5 of rhodopsin were synthesized. Two peptides, with overlapping sequences at their termini, were synthesized to cover each of the helices. The peptides from helix 1 and helix 4 were helical throughout most of their length. The N- and C-termini of all the peptides were disordered and proline caused opening of the helical structure in both helix 1 and helix 4. The peptides from helix 5 were helical in the middle segment of each peptide, with larger disordered regions in the N- and C-termini than for helices 1 and 4. These observations show that there is a strong helical propensity in the amino acid sequences corresponding to the transmembrane domain of this G-protein coupled receptor. In the case of the peptides from helix 4, it was possible to superimpose the structures of the overlapping sequences to produce a construct covering the whole of the sequence of helix 4 of rhodopsin. As similar superposition for the peptides from helix 1 also produced a construct, but somewhat less successfully because of the disordering in the region of sequence overlap. This latter problem was more severe for helix 5 and therefore a single peptide was synthesized for the entire sequence of this helix, and its structure determined. It proved to be helical throughout. Comparison of all these structures with the recent crystal structure of rhodopsin revealed that the peptide structures mimicked the structures seen in the whole protein. Thus similar studies of peptides may provide useful information on the secondary structure of other transmembrane proteins built around helical bundles.

PRODUCTIVITY OF SOLAR FLARES AND MAGNETIC HELICITY INJECTION IN ACTIVE REGIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Sung-hong; Wang Haimin; Chae, Jongchul, E-mail: sp295@njit.ed

The main objective of this study is to better understand how magnetic helicity injection in an active region (AR) is related to the occurrence and intensity of solar flares. We therefore investigate the magnetic helicity injection rate and unsigned magnetic flux, as a reference. In total, 378 ARs are analyzed using SOHO/MDI magnetograms. The 24 hr averaged helicity injection rate and unsigned magnetic flux are compared with the flare index and the flare-productive probability in the next 24 hr following a measurement. In addition, we study the variation of helicity over a span of several days around the times ofmore » the 19 flares above M5.0 which occurred in selected strong flare-productive ARs. The major findings of this study are as follows: (1) for a sub-sample of 91 large ARs with unsigned magnetic fluxes in the range from (3-5) x 10{sup 22} Mx, there is a difference in the magnetic helicity injection rate between flaring ARs and non-flaring ARs by a factor of 2; (2) the GOES C-flare-productive probability as a function of helicity injection displays a sharp boundary between flare-productive ARs and flare-quiet ones; (3) the history of helicity injection before all the 19 major flares displayed a common characteristic: a significant helicity accumulation of (3-45) x 10{sup 42} Mx{sup 2} during a phase of monotonically increasing helicity over 0.5-2 days. Our results support the notion that helicity injection is important in flares, but it is not effective to use it alone for the purpose of flare forecast. It is necessary to find a way to better characterize the time history of helicity injection as well as its spatial distribution inside ARs.« less

Productivity of Solar Flares and Magnetic Helicity Injection in Active Regions

NASA Astrophysics Data System (ADS)

Park, Sung-hong; Chae, Jongchul; Wang, Haimin

2010-07-01

The main objective of this study is to better understand how magnetic helicity injection in an active region (AR) is related to the occurrence and intensity of solar flares. We therefore investigate the magnetic helicity injection rate and unsigned magnetic flux, as a reference. In total, 378 ARs are analyzed using SOHO/MDI magnetograms. The 24 hr averaged helicity injection rate and unsigned magnetic flux are compared with the flare index and the flare-productive probability in the next 24 hr following a measurement. In addition, we study the variation of helicity over a span of several days around the times of the 19 flares above M5.0 which occurred in selected strong flare-productive ARs. The major findings of this study are as follows: (1) for a sub-sample of 91 large ARs with unsigned magnetic fluxes in the range from (3-5) × 1022 Mx, there is a difference in the magnetic helicity injection rate between flaring ARs and non-flaring ARs by a factor of 2; (2) the GOES C-flare-productive probability as a function of helicity injection displays a sharp boundary between flare-productive ARs and flare-quiet ones; (3) the history of helicity injection before all the 19 major flares displayed a common characteristic: a significant helicity accumulation of (3-45) × 1042 Mx2 during a phase of monotonically increasing helicity over 0.5-2 days. Our results support the notion that helicity injection is important in flares, but it is not effective to use it alone for the purpose of flare forecast. It is necessary to find a way to better characterize the time history of helicity injection as well as its spatial distribution inside ARs.

A remarkable solvent effect on the nuclearity of neutral titanium(IV)-based helicate assemblies.

PubMed

Weekes, David Michael; Diebold, Carine; Mobian, Pierre; Huguenard, Clarisse; Allouche, Lionel; Henry, Marc

2014-04-22

The spontaneous self-assembly of a neutral circular trinuclear Ti(IV) -based helicate is described through the reaction of titanium(IV) isopropoxide with a rationally designed tetraphenolic ligand. The trimeric ring helicate was obtained after diffusion of n-pentane into a solution with dichloromethane. The circular helicate has been characterized by using single-crystal X-ray diffraction study, (13) C CP-MAS NMR and (1) H NMR DOSY solution spectroscopic, and positive electrospray ionization mass-spectrometric analysis. These analytical data were compared with those obtained from a previously reported double-stranded helicate that crystallizes in toluene. The trimeric ring was unstable in a pure solution with dichloromethane and transformed into the double-stranded helicate. Thermodynamic analysis by means of the PACHA software revealed that formation of the double-stranded helicates was characterized by ΔH(toluene)=-30 kJ mol(-1) and ΔS(toluene)=+357 J K(-1)  mol(-1) , whereas these values were ΔH(CH2 Cl2 )=-75 kJ mol(-1) and ΔS(CH2 Cl2 )=-37 J K(-1)  mol(-1) for the ring helicate. The transformation of the ring helicate into the double-stranded helicate was a strongly endothermic process characterized by ΔH(CH2 Cl2 )=+127 kJ mol(-1) and ΔH(n-pentane)=+644 kJ mol(-1) associated with a large positive entropy change ΔS=+1115 J K(-1) ⋅mol(-1) . Consequently, the instability of the ring helicate in pure dichloromethane was attributed to the rather high dielectric constant and dipole moment of dichloromethane relative to n-pentane. Suggestions for increasing the stability of the ring helicate are given. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

CURRENT AND KINETIC HELICITY OF LONG-LIVED ACTIVITY COMPLEXES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Komm, Rudolf; Gosain, Sanjay, E-mail: komm@nso.edu

2015-01-01

We study long-lived activity complexes and their current helicity at the solar surface and their kinetic helicity below the surface. The current helicity has been determined from synoptic vector magnetograms from the NSO/SOLIS facility, and the kinetic helicity of subsurface flows has been determined with ring-diagram analysis applied to full-disk Dopplergrams from NSO/GONG and SDO/HMI. Current and kinetic helicity of activity complexes follow the hemispheric helicity rule with mainly positive values (78%; 78%, respectively, with a 95% confidence level of 31%) in the southern hemisphere and negative ones (80%; 93%, respectively, with a 95% confidence level of 22% and 14%,more » respectively) in the northern hemisphere. The locations with the dominant sign of kinetic helicity derived from Global Oscillation Network Group (GONG) and SDO/HMI data are more organized than those of the secondary sign even if they are not part of an activity complex, while locations with the secondary sign are more fragmented. This is the case for both hemispheres even for the northern one where it is not as obvious visually due to the large amount of magnetic activity present as compared to the southern hemisphere. The current helicity shows a similar behavior. The dominant sign of current helicity is the same as that of kinetic helicity for the majority of the activity complexes (83% with a 95% confidence level of 15%). During the 24 Carrington rotations analyzed here, there is at least one longitude in each hemisphere where activity complexes occur repeatedly throughout the epoch. These ''active'' longitudes are identifiable as locations of strong current and kinetic helicity of the same sign.« less

On the resilience of helical magnetic fields to turbulent diffusion and the astrophysical implications

NASA Astrophysics Data System (ADS)

Blackman, Eric G.; Subramanian, Kandaswamy

2013-02-01

The extent to which large-scale magnetic fields are susceptible to turbulent diffusion is important for interpreting the need for in situ large-scale dynamos in astrophysics and for observationally inferring field strengths compared to kinetic energy. By solving coupled evolution equations for magnetic energy and magnetic helicity in a system initialized with isotropic turbulence and an arbitrarily helical large-scale field, we quantify the decay rate of the latter for a bounded or periodic system. The magnetic energy associated with the non-helical large-scale field decays at least as fast as the kinematically estimated turbulent diffusion rate, but the decay rate of the helical part depends on whether the ratio of its magnetic energy to the turbulent kinetic energy exceeds a critical value given by M1, c = (k1/k2)2, where k1 and k2 are the wavenumbers of the large and forcing scales. Turbulently diffusing helical fields to small scales while conserving magnetic helicity requires a rapid increase in total magnetic energy. As such, only when the helical field is subcritical can it so diffuse. When supercritical, it decays slowly, at a rate determined by microphysical dissipation even in the presence of macroscopic turbulence. In effect, turbulent diffusion of such a large-scale helical field produces small-scale helicity whose amplification abates further turbulent diffusion. Two curious implications are that (1) standard arguments supporting the need for in situ large-scale dynamos based on the otherwise rapid turbulent diffusion of large-scale fields require re-thinking since only the large-scale non-helical field is so diffused in a closed system. Boundary terms could however provide potential pathways for rapid change of the large-scale helical field. (2) Since M1, c ≪ 1 for k1 ≪ k2, the presence of long-lived ordered large-scale helical fields as in extragalactic jets do not guarantee that the magnetic field dominates the kinetic energy.

Tire

NASA Technical Reports Server (NTRS)

Benzing, II, James Alfred (Inventor); Kish, James Christopher (Inventor); Asnani, Vivake Manohar (Inventor)

2012-01-01

A tire includes a plurality of helical springs. Each helical spring includes a first end portion, a second end portion, and an arching middle portion. Each helical spring is interlaced with at least one other helical spring thereby forming a laced toroidal structure extending about an entire circumference of the tire.

Helical bottleneck effect in 3D homogeneous isotropic turbulence

NASA Astrophysics Data System (ADS)

Stepanov, Rodion; Golbraikh, Ephim; Frick, Peter; Shestakov, Alexander

2018-02-01

We present the results of modelling the development of homogeneous and isotropic turbulence with a large-scale source of energy and a source of helicity distributed over scales. We use the shell model for numerical simulation of the turbulence at high Reynolds number. The results show that the helicity injection leads to a significant change in the behavior of the energy and helicity spectra in scales larger and smaller than the energy injection scale. We suggest the phenomenology for direct turbulent cascades with the helicity effect, which reduces the efficiency of the spectral energy transfer. Therefore the energy is accumulated and redistributed so that non-linear interactions will be sufficient to provide a constant energy flux. It can be interpreted as the ‘helical bottleneck effect’ which, depending on the parameters of the injection helicity, reminds one of the well-known bottleneck effect at the end of inertial range. Simulations which included the infrared part of the spectrum show that the inverse cascade hardly develops under distributed helicity forcing.

ON THE INJECTION OF HELICITY BY THE SHEARING MOTION OF FLUXES IN RELATION TO FLARES AND CORONAL MASS EJECTIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vemareddy, P.; Ambastha, A.; Maurya, R. A.

An investigation of helicity injection by photospheric shear motions is carried out for two active regions (ARs), NOAA 11158 and 11166, using line-of-sight magnetic field observations obtained from the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory. We derived the horizontal velocities in the ARs from the differential affine velocity estimator (DAVE) technique. Persistent strong shear motions at maximum velocities in the range of 0.6-0.9 km s{sup -1} along the magnetic polarity inversion line and outward flows from the peripheral regions of the sunspots were observed in the two ARs. The helicities injected in NOAA 11158 and 11166more » during their six-day evolution period were estimated as 14.16 Multiplication-Sign 10{sup 42} Mx{sup 2} and 9.5 Multiplication-Sign 10{sup 42} Mx{sup 2}, respectively. The estimated injection rates decreased up to 13% by increasing the time interval between the magnetograms from 12 minutes to 36 minutes, and increased up to 9% by decreasing the DAVE window size from 21 Multiplication-Sign 18 to 9 Multiplication-Sign 6 pixel{sup 2}, resulting in 10% variation in the accumulated helicity. In both ARs, the flare-prone regions (R2) had inhomogeneous helicity flux distribution with mixed helicities of both signs and coronal mass ejection (CME) prone regions had almost homogeneous distribution of helicity flux dominated by a single sign. The temporal profiles of helicity injection showed impulsive variations during some flares/CMEs due to negative helicity injection into the dominant region of positive helicity flux. A quantitative analysis reveals a marginally significant association of helicity flux with CMEs but not flares in AR 11158, while for the AR 11166, we find a marginally significant association of helicity flux with flares but not CMEs, providing evidence of the role of helicity injection at localized sites of the events. These short-term variations of helicity flux are further discussed in view of possible flare-related effects. This study suggests that flux motions and spatial distribution of helicity injection are important to understanding the complex nature of the magnetic flux system of the AR, and how it can lead to conditions favorable for eruptive events.« less

Improving the accuracy of ionization chamber dosimetry in small megavoltage x-ray fields

NASA Astrophysics Data System (ADS)

McNiven, Andrea L.

The dosimetry of small x-ray fields is difficult, but important, in many radiation therapy delivery methods. The accuracy of ion chambers for small field applications, however, is limited due to the relatively large size of the chamber with respect to the field size, leading to partial volume effects, lateral electronic disequilibrium and calibration difficulties. The goal of this dissertation was to investigate the use of ionization chambers for the purpose of dosimetry in small megavoltage photon beams with the aim of improving clinical dose measurements in stereotactic radiotherapy and helical tomotherapy. A new method for the direct determination of the sensitive volume of small-volume ion chambers using micro computed tomography (muCT) was investigated using four nominally identical small-volume (0.56 cm3) cylindrical ion chambers. Agreement between their measured relative volume and ionization measurements (within 2%) demonstrated the feasibility of volume determination through muCT. Cavity-gas calibration coefficients were also determined, demonstrating the promise for accurate ion chamber calibration based partially on muCT. The accuracy of relative dose factor measurements in 6MV stereotactic x-ray fields (5 to 40mm diameter) was investigated using a set of prototype plane-parallel ionization chambers (diameters of 2, 4, 10 and 20mm). Chamber and field size specific correction factors ( CSFQ ), that account for perturbation of the secondary electron fluence, were calculated using Monte Carlo simulation methods (BEAM/EGSnrc simulations). These correction factors (e.g. CSFQ = 1.76 (2mm chamber, 5mm field) allow for accurate relative dose factor (RDF) measurement when applied to ionization readings, under conditions of electronic disequilibrium. With respect to the dosimetry of helical tomotherapy, a novel application of the ion chambers was developed to characterize the fan beam size and effective dose rate. Characterization was based on an adaptation of the computed tomography dose index (CTDI), a concept normally used in diagnostic radiology. This involved experimental determination of the fan beam thickness using the ion chambers to acquire fan beam profiles and extrapolation to a 'zero-size' detector. In conclusion, improvements have been made in the accuracy of small field dosimetry measurements in stereotactic radiotherapy and helical tomotherapy. This was completed through introduction of an original technique involving micro-CT imaging for sensitive volume determination and potentially ion chamber calibration coefficients, the use of appropriate Monte Carlo derived correction factors for RDF measurement, and the exploitation of the partial volume effect for helical tomotherapy fan beam dosimetry. With improved dosimetry for a wide range of challenging small x-ray field situations, it is expected that the patient's radiation safety will be maintained, and that clinical trials will adopt calibration protocols specialized for modern radiotherapy with small fields or beamlets. Keywords. radiation therapy, ionization chambers, small field dosimetry, stereotactic radiotherapy, helical tomotherapy, micro-CT.

QCD evolution of (un)polarized gluon TMDPDFs and the Higgs q T -distribution

NASA Astrophysics Data System (ADS)

Echevarria, Miguel G.; Kasemets, Tomas; Mulders, Piet J.; Pisano, Cristian

2015-07-01

We provide the proper definition of all the leading-twist (un)polarized gluon transverse momentum dependent parton distribution functions (TMDPDFs), by considering the Higgs boson transverse momentum distribution in hadron-hadron collisions and deriving the factorization theorem in terms of them. We show that the evolution of all the (un)polarized gluon TMDPDFs is driven by a universal evolution kernel, which can be resummed up to next-to-next-to-leading-logarithmic accuracy. Considering the proper definition of gluon TMDPDFs, we perform an explicit next-to-leading-order calculation of the unpolarized ( f {1/ g }), linearly polarized ( h {1/⊥ g }) and helicity ( g {1/L g }) gluon TMDPDFs, and show that, as expected, they are free from rapidity divergences. As a byproduct, we obtain the Wilson coefficients of the refactorization of these TMDPDFs at large transverse momentum. In particular, the coefficient of g {1/L g }, which has never been calculated before, constitutes a new and necessary ingredient for a reliable phenomenological extraction of this quantity, for instance at RHIC or the future AFTER@LHC or Electron-Ion Collider. The coefficients of f {1/ g } and h {1/⊥ g } have never been calculated in the present formalism, although they could be obtained by carefully collecting and recasting previous results in the new TMD formalism. We apply these results to analyze the contribution of linearly polarized gluons at different scales, relevant, for instance, for the inclusive production of the Higgs boson and the C-even pseudoscalar bottomonium state η b . Applying our resummation scheme we finally provide predictions for the Higgs boson q T -distribution at the LHC.

76 FR 57075 - Helical Spring Lock Washers From China and Taiwan

Federal Register 2010, 2011, 2012, 2013, 2014

2011-09-15

... INTERNATIONAL TRADE COMMISSION [Investigation Nos. 731-TA-624-625; Third Review] Helical Spring... duty orders on helical spring lock washers from China and Taiwan. AGENCY: United States International...) to determine whether revocation of the antidumping duty orders on helical spring lock washers from...

A current-driven resistive instability and its nonlinear effects in simulations of coaxial helicity injection in a tokamak

DOE PAGES

Hooper, E. B.; Sovinec, C. R.

2016-10-06

An instability observed in whole-device, resistive magnetohydrodynamic simulations of the driven phase of coaxial helicity injection in the National Spherical Torus eXperiment is identified as a current-driven resistive mode in an unusual geometry that transiently generates a current sheet. The mode consists of plasma flow velocity and magnetic field eddies in a tube aligned with the magnetic field at the surface of the injected magnetic flux. At low plasma temperatures (~10–20 eV), the mode is benign, but at high temperatures (~100 eV) its amplitude undergoes relaxation oscillations, broadening the layer of injected current and flow at the surface of themore » injected toroidal flux and background plasma. The poloidal-field structure is affected and the magnetic surface closure is generally prevented while the mode undergoes relaxation oscillations during injection. Furthermore, this study describes the mode and uses linearized numerical computations and an analytic slab model to identify the unstable mode.« less

Sperm navigation along helical paths in 3D chemoattractant landscapes

PubMed Central

Jikeli, Jan F.; Alvarez, Luis; Friedrich, Benjamin M.; Wilson, Laurence G.; Pascal, René; Colin, Remy; Pichlo, Magdalena; Rennhack, Andreas; Brenker, Christoph; Kaupp, U. Benjamin

2015-01-01

Sperm require a sense of direction to locate the egg for fertilization. They follow gradients of chemical and physical cues provided by the egg or the oviduct. However, the principles underlying three-dimensional (3D) navigation in chemical landscapes are unknown. Here using holographic microscopy and optochemical techniques, we track sea urchin sperm navigating in 3D chemoattractant gradients. Sperm sense gradients on two timescales, which produces two different steering responses. A periodic component, resulting from the helical swimming, gradually aligns the helix towards the gradient. When incremental path corrections fail and sperm get off course, a sharp turning manoeuvre puts sperm back on track. Turning results from an ‘off' Ca2+ response signifying a chemoattractant stimulation decrease and, thereby, a drop in cyclic GMP concentration and membrane voltage. These findings highlight the computational sophistication by which sperm sample gradients for deterministic klinotaxis. We provide a conceptual and technical framework for studying microswimmers in 3D chemical landscapes. PMID:26278469

Comparison of performance of shell-and-tube heat exchangers with conventional segmental baffles and continuous helical baffle

NASA Astrophysics Data System (ADS)

Ahmed, Asif; Ferdous, Imam Ul.; Saha, Sumon

2017-06-01

In the present study, three-dimensional numerical simulation of two shell-and-tube heat exchangers (STHXs) with conventional segmental baffles (STHXsSB) and continuous helical baffle (STHXsHB) is carried out and a comparative study is performed based on the simulation results. Both of the STHXs contain 37 tubes inside a 500 mm long and 200 mm diameter shell and mass flow rate of shell-side fluid is varied from 0.5 kg/s to 2 kg/s. At first, physical and mathematical models are developed and numerically simulated using finite element method (FEM). For the validation of the computational model, shell-side average nusselt number (Nus) is calculated from the simulation results and compared with the available experimental results. The comparative study shows that STHXsHB has 72-127% higher heat transfer coefficient per unit pressure drop compared to the conventional STHXsSB for the same shell-side mass flow rate. Moreover, STHXsHB has 59-63% lower shell-side pressure drop than STHXsSB.

In silico optimization of a guava antimicrobial peptide enables combinatorial exploration for peptide design.

PubMed

Porto, William F; Irazazabal, Luz; Alves, Eliane S F; Ribeiro, Suzana M; Matos, Carolina O; Pires, Állan S; Fensterseifer, Isabel C M; Miranda, Vivian J; Haney, Evan F; Humblot, Vincent; Torres, Marcelo D T; Hancock, Robert E W; Liao, Luciano M; Ladram, Ali; Lu, Timothy K; de la Fuente-Nunez, Cesar; Franco, Octavio L

2018-04-16

Plants are extensively used in traditional medicine, and several plant antimicrobial peptides have been described as potential alternatives to conventional antibiotics. However, after more than four decades of research no plant antimicrobial peptide is currently used for treating bacterial infections, due to their length, post-translational modifications or  high dose requirement for a therapeutic effect . Here we report the design of antimicrobial peptides derived from a guava glycine-rich peptide using a genetic algorithm. This approach yields guavanin peptides, arginine-rich α-helical peptides that possess an unusual hydrophobic counterpart mainly composed of tyrosine residues. Guavanin 2 is characterized as a prototype peptide in terms of structure and activity. Nuclear magnetic resonance analysis indicates that the peptide adopts an α-helical structure in hydrophobic environments. Guavanin 2 is bactericidal at low concentrations, causing membrane disruption and triggering hyperpolarization. This computational approach for the exploration of natural products could be used to design effective peptide antibiotics.

Arginine side chain stacking with peptide plane stabilizes the protein helix conformation in a cooperative way.

PubMed

Wang, Jia; Chen, Jingfei; Li, Jingwen; An, Liaoyuan; Wang, Yefei; Huang, Qingshan; Yao, Lishan

2018-06-01

A combined experimental and computational study is performed for arginine side chain stacking with the protein α-helix. Theremostability measurements of Aristaless homeodomain, a helical protein, suggest that mutating the arginine residue R106, R137 or R141, which has the guanidino side chain stacking with the peptide plane, to alanine, destabilizes the protein. The R-PP stacking has an energy of ∼0.2-0.4 kcal/mol. This stacking interaction mainly comes from dispersion and electrostatics, based on MP2 calculations with the energy decomposition analysis. The calculations also suggest that the stacking stabilizes 2 backbone-backbone h-bonds (i→i-4 and i-3→i-7) in a cooperative way. Desolvation and electrostatic polarization are responsible for cooperativity with the i→i-4 and i-3→i-7 h-bonds, respectively. This cooperativity is supported by a protein α-helices h-bond survey in the pdb databank where stacking shortens the corresponding h-bond distances. © 2018 Wiley Periodicals, Inc.

Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral CaMn7O12

NASA Astrophysics Data System (ADS)

Lim, Jin Soo; Saldana-Greco, Diomedes; Rappe, Andrew M.

2018-01-01

Helicoidal magnetic order breaks inversion symmetry in quadruple perovskite CaMn7O12 , generating one of the largest spin-induced ferroelectric polarizations measured to date. Here, the microscopic origin of the polarization, including exchange interactions, coupling to the spin helicity, and charge density redistribution, is explored via first-principles calculations. The B -site Mn4 + (Mn3) spin adopts a noncentrosymmetric configuration, stabilized not only by spin-orbit coupling (SOC), but also by the fully anisotropic Hubbard J parameter in the absence of SOC, to break inversion symmetry and generate polarization. Berry phase computed polarization (Pelec=2169 μ C /m2 ) exhibits nearly pure electronic behavior, with negligible Mn displacements (≈0.7 m Å ). Orbital-resolved density of states shows that p -d orbital mixing is microscopically driven by nonrelativistic exchange striction within the commensurate ionic structure. Persistent electronic polarization induced by helical spin order in the nearly inversion-symmetric ionic crystal lattice suggests opportunities for ultrafast magnetoelectric response.

Warfarin resistance associated with genetic polymorphism of VKORC1: linking clinical response to molecular mechanism using computational modeling.

PubMed

Lewis, Benjamin C; Nair, Pramod C; Heran, Subash S; Somogyi, Andrew A; Bowden, Jeffrey J; Doogue, Matthew P; Miners, John O

2016-01-01

The variable response to warfarin treatment often has a genetic basis. A protein homology model of human vitamin K epoxide reductase, subunit 1 (VKORC1), was generated to elucidate the mechanism of warfarin resistance observed in a patient with the Val66Met mutation. The VKORC1 homology model comprises four transmembrane (TM) helical domains and a half helical lid domain. Cys132 and Cys135, located in the N-terminal end of TM-4, are linked through a disulfide bond. Two distinct binding sites for warfarin were identified. Site-1, which binds vitamin K epoxide (KO) in a catalytically favorable orientation, shows higher affinity for S-warfarin compared with R-warfarin. Site-2, positioned in the domain occupied by the hydrophobic tail of KO, binds both warfarin enantiomers with similar affinity. Displacement of Arg37 occurs in the Val66Met mutant, blocking access of warfarin (but not KO) to Site-1, consistent with clinical observation of warfarin resistance.

Sperm navigation along helical paths in 3D chemoattractant landscapes.

PubMed

Jikeli, Jan F; Alvarez, Luis; Friedrich, Benjamin M; Wilson, Laurence G; Pascal, René; Colin, Remy; Pichlo, Magdalena; Rennhack, Andreas; Brenker, Christoph; Kaupp, U Benjamin

2015-08-17

Sperm require a sense of direction to locate the egg for fertilization. They follow gradients of chemical and physical cues provided by the egg or the oviduct. However, the principles underlying three-dimensional (3D) navigation in chemical landscapes are unknown. Here using holographic microscopy and optochemical techniques, we track sea urchin sperm navigating in 3D chemoattractant gradients. Sperm sense gradients on two timescales, which produces two different steering responses. A periodic component, resulting from the helical swimming, gradually aligns the helix towards the gradient. When incremental path corrections fail and sperm get off course, a sharp turning manoeuvre puts sperm back on track. Turning results from an 'off' Ca(2+) response signifying a chemoattractant stimulation decrease and, thereby, a drop in cyclic GMP concentration and membrane voltage. These findings highlight the computational sophistication by which sperm sample gradients for deterministic klinotaxis. We provide a conceptual and technical framework for studying microswimmers in 3D chemical landscapes.

Effects of Helicity on Lagrangian and Eulerian Time Correlations in Turbulence

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Zhou, Ye

1998-01-01

Taylor series expansions of turbulent time correlation functions are applied to show that helicity influences Eulerian time correlations more strongly than Lagrangian time correlations: to second order in time, the helicity effect on Lagrangian time correlations vanishes, but the helicity effect on Eulerian time correlations is nonzero. Fourier analysis shows that the helicity effect on Eulerian time correlations is confined to the largest inertial range scales. Some implications for sound radiation by swirling flows are discussed.

Processing and plating helical metallic coils

NASA Technical Reports Server (NTRS)

1972-01-01

The results of research efforts to develop an optimized nickel cobalt coating suitable as a recording medium are outlined. The coating is to be used directly on a BeCu helical coil substrate of a helical coil NASA recorder. Specifically, efforts were made to: optimize the coating thickness; establish processes and techniques adaptable for the production of finalized plated helical coils; design and fabricate the equipment required for production and testing of the coils; and deliver finalized helical coils to NASA.

Transferability of different classical force fields for right and left handed α-helices constructed from enantiomeric amino acids.

PubMed

Biswas, Santu; Sarkar, Sujit; Pandey, Prithvi Raj; Roy, Sudip

2016-02-21

Amino acids can form d and l enantiomers, of which the l enantiomer is abundant in nature. The naturally occurring l enantiomer has a greater preference for a right handed helical conformation, and the d enantiomer for a left handed helical conformation. The other conformations, that is, left handed helical conformations of the l enantiomers and right handed helical conformations of the d enantiomers, are not common. The energetic differences between left and right handed alpha helical peptide chains constructed from enantiomeric amino acids are investigated using quantum chemical calculations (using the M06/6-311g(d,p) level of theory). Further, the performances of commonly used biomolecular force fields (OPLS/AA, CHARMM27/CMAP and AMBER) to represent the different helical conformations (left and right handed) constructed from enantiomeric (D and L) amino acids are evaluated. 5- and 10-mer chains from d and l enantiomers of alanine, leucine, lysine, and glutamic acid, in right and left handed helical conformations, are considered in the study. Thus, in total, 32 α-helical polypeptides (4 amino acids × 4 conformations of 5-mer and 10-mer) are studied. Conclusions, with regards to the performance of the force fields, are derived keeping the quantum optimized geometry as the benchmark, and on the basis of phi and psi angle calculations, hydrogen bond analysis, and different long range helical order parameters.