Science.gov

Sample records for 3d nmr experiments

  1. Reduced dimensionality (4,3)D-hnCOCANH experiment: an efficient backbone assignment tool for NMR studies of proteins.

    PubMed

    Kumar, Dinesh

    2013-09-01

    Sequence specific resonance assignment of proteins forms the basis for variety of structural and functional proteomics studies by NMR. In this context, an efficient standalone method for rapid assignment of backbone ((1)H, (15)N, (13)C(α) and (13)C') resonances of proteins has been presented here. Compared to currently available strategies used for the purpose, the method employs only a single reduced dimensionality experiment--(4,3)D-hnCOCANH and exploits the linear combinations of backbone ((13)C(α) and (13)C') chemical shifts to achieve a dispersion relatively better compared to those of individual chemical shifts (see the text). The resulted increased dispersion of peaks--which is different in sum (CA + CO) and difference (CA - CO) frequency regions--greatly facilitates the analysis of the spectrum by resolving the problems (associated with routine assignment strategies) arising because of degenerate amide (15)N and backbone (13)C chemical shifts. Further, the spectrum provides direct distinction between intra- and inter-residue correlations because of their opposite peak signs. The other beneficial feature of the spectrum is that it provides: (a) multiple unidirectional sequential (i→i + 1) (15)N and (13)C correlations and (b) facile identification of certain specific triplet sequences which serve as check points for mapping the stretches of sequentially connected HSQC cross peaks on to the primary sequence for assigning the resonances sequence specifically. On top of all this, the F₂-F₃ planes of the spectrum corresponding to sum (CA + CO) and difference (CA - CO) chemical shifts enable rapid and unambiguous identification of sequential HSQC peaks through matching their coordinates in these two planes (see the text). Overall, the experiment presented here will serve as an important backbone assignment tool for variety of structural and functional proteomics and drug discovery research programs by NMR involving well behaved small folded proteins (MW

  2. Simultaneous Acquisition of 2D and 3D Solid-State NMR Experiments for Sequential Assignment of Oriented Membrane Protein Samples

    PubMed Central

    Gopinath, T.; Mote, Kaustubh R; Veglia, Gianluigi

    2016-01-01

    We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins aligned in mechanically or magnetically lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living 15N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through 15N-15N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish 15N-15N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments. PMID:25749871

  3. Simultaneous acquisition of 2D and 3D solid-state NMR experiments for sequential assignment of oriented membrane protein samples.

    PubMed

    Gopinath, T; Mote, Kaustubh R; Veglia, Gianluigi

    2015-05-01

    We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins reconstituted in mechanically or magnetically aligned lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living (15)N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through (15)N-(15)N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish (15)N-(15)N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments. PMID:25749871

  4. A 3D Time-Shared NOESY Experiment Designed to Provide Optimal Resolution for Accurate Assignment of NMR Distance Restraints in Large Proteins

    PubMed Central

    Mishra, Subrata H; Harden, Bradley J

    2014-01-01

    Structure determination of proteins by solution NMR has become an established method, but challenges increase steeply with the size of proteins. Notably spectral crowding and signal overlap impair the analysis of cross-peaks in NOESY spectra that provide distance restraints for structural models. An optimal spectral resolution can alleviate overlap but requires prohibitively long experimental time with existing methods. Here we present a time-shared 3D experiment optimized for large proteins that provides 15N and 13C dispersed NOESY spectra in a single measurement. NOESY correlations appear in the detected dimension and hence benefit from the highest resolution achievable of all dimensions without increase in experimental time. By design, this experiment is inherently optimal for non-uniform sampling acquisition when compared to current alternatives. Thus, 15N and 13C dispersed NOESY spectra with ultra-high resolution in all dimensions were acquired in parallel within about 4 days instead of 80 days for a 52 kDa monomeric protein at a concentration of 350 μM. PMID:25381567

  5. 3D Computations and Experiments

    SciTech Connect

    Couch, R; Faux, D; Goto, D; Nikkel, D

    2004-04-05

    This project consists of two activities. Task A, Simulations and Measurements, combines all the material model development and associated numerical work with the materials-oriented experimental activities. The goal of this effort is to provide an improved understanding of dynamic material properties and to provide accurate numerical representations of those properties for use in analysis codes. Task B, ALE3D Development, involves general development activities in the ALE3D code with the focus of improving simulation capabilities for problems of mutual interest to DoD and DOE. Emphasis is on problems involving multi-phase flow, blast loading of structures and system safety/vulnerability studies.

  6. 3D Computations and Experiments

    SciTech Connect

    Couch, R; Faux, D; Goto, D; Nikkel, D

    2003-05-12

    This project is in its first full year after the combining of two previously funded projects: ''3D Code Development'' and ''Dynamic Material Properties''. The motivation behind this move was to emphasize and strengthen the ties between the experimental work and the computational model development in the materials area. The next year's activities will indicate the merging of the two efforts. The current activity is structured in two tasks. Task A, ''Simulations and Measurements'', combines all the material model development and associated numerical work with the materials-oriented experimental activities. Task B, ''ALE3D Development'', is a continuation of the non-materials related activities from the previous project.

  7. The psychology of the 3D experience

    NASA Astrophysics Data System (ADS)

    Janicke, Sophie H.; Ellis, Andrew

    2013-03-01

    With 3D televisions expected to reach 50% home saturation as early as 2016, understanding the psychological mechanisms underlying the user response to 3D technology is critical for content providers, educators and academics. Unfortunately, research examining the effects of 3D technology has not kept pace with the technology's rapid adoption, resulting in large-scale use of a technology about which very little is actually known. Recognizing this need for new research, we conducted a series of studies measuring and comparing many of the variables and processes underlying both 2D and 3D media experiences. In our first study, we found narratives within primetime dramas had the power to shift viewer attitudes in both 2D and 3D settings. However, we found no difference in persuasive power between 2D and 3D content. We contend this lack of effect was the result of poor conversion quality and the unique demands of 3D production. In our second study, we found 3D technology significantly increased enjoyment when viewing sports content, yet offered no added enjoyment when viewing a movie trailer. The enhanced enjoyment of the sports content was shown to be the result of heightened emotional arousal and attention in the 3D condition. We believe the lack of effect found for the movie trailer may be genre-related. In our final study, we found 3D technology significantly enhanced enjoyment of two video games from different genres. The added enjoyment was found to be the result of an increased sense of presence.

  8. Three-Dimensional Maximum-Quantum Correlation HMQC NMR Spectroscopy (3D MAXY-HMQC)

    NASA Astrophysics Data System (ADS)

    Liu, Maili; Mao, Xi-An; Ye, Chaohui; Nicholson, Jeremy K.; Lindon, John C.

    1997-11-01

    The extension of two-dimensional maximum-quantum correlation spectroscopy (2D MAXY NMR), which can be used to simplify complex NMR spectra, to three dimensions (3D) is described. A new pulse sequence for 3D MAXY-HMQC is presented and exemplified using the steroid drug dexamethasone. The sensitivity and coherence transfer efficiency of the MAXY NMR approach has also been assessed in relation to other HMQC- and HSQC-based 3D methods.

  9. The Galicia 3D experiment: an Introduction.

    NASA Astrophysics Data System (ADS)

    Reston, Timothy; Martinez Loriente, Sara; Holroyd, Luke; Merry, Tobias; Sawyer, Dale; Morgan, Julia; Jordan, Brian; Tesi Sanjurjo, Mari; Alexanian, Ara; Shillington, Donna; Gibson, James; Minshull, Tim; Karplus, Marianne; Bayracki, Gaye; Davy, Richard; Klaeschen, Dirk; Papenberg, Cord; Ranero, Cesar; Perez-Gussinye, Marta; Martinez, Miguel

    2014-05-01

    In June and July 2013, scientists from 8 institutions took part in the Galicia 3D seismic experiment, the first ever crustal -scale academic 3D MCS survey over a rifted margin. The aim was to determine the 3D structure of a critical portion of the west Galicia rifted margin. At this margin, well-defined tilted fault blocks, bound by west-dipping faults and capped by synrift sediments are underlain by a bright reflection, undulating on time sections, termed the S reflector and thought to represent a major detachment fault of some kind. Moving west, the crust thins to zero thickness and mantle is unroofed, as evidence by the "Peridotite Ridge" first reported at this margin, but since observed at many other magma-poor margins. By imaging such a margin in detail, the experiment aimed to resolve the processes controlling crustal thinning and mantle unroofing at a type example magma poor margin. The experiment set out to collect several key datasets: a 3D seismic reflection volume measuring ~20x64km and extending down to ~14s TWT, a 3D ocean bottom seismometer dataset suitable for full wavefield inversion (the recording of the complete 3D seismic shots by 70 ocean bottom instruments), the "mirror imaging" of the crust using the same grid of OBS, a single 2D combined reflection/refraction profile extending to the west to determine the transition from unroofed mantle to true oceanic crust, and the seismic imaging of the water column, calibrated by regular deployment of XBTs to measure the temperature structure of the water column. We collected 1280 km2 of seismic reflection data, consisting of 136533 shots recorded on 1920 channels, producing 260 million seismic traces, each ~ 14s long. This adds up to ~ 8 terabytes of data, representing, we believe, the largest ever academic 3D MCS survey in terms of both the area covered and the volume of data. The OBS deployment was the largest ever within an academic 3D survey.

  10. User experience while viewing stereoscopic 3D television

    PubMed Central

    Read, Jenny C.A.; Bohr, Iwo

    2014-01-01

    3D display technologies have been linked to visual discomfort and fatigue. In a lab-based study with a between-subjects design, 433 viewers aged from 4 to 82 years watched the same movie in either 2D or stereo 3D (S3D), and subjectively reported on a range of aspects of their viewing experience. Our results suggest that a minority of viewers, around 14%, experience adverse effects due to viewing S3D, mainly headache and eyestrain. A control experiment where participants viewed 2D content through 3D glasses suggests that around 8% may report adverse effects which are not due directly to viewing S3D, but instead are due to the glasses or to negative preconceptions about S3D (the ‘nocebo effect'). Women were slightly more likely than men to report adverse effects with S3D. We could not detect any link between pre-existing eye conditions or low stereoacuity and the likelihood of experiencing adverse effects with S3D. Practitioner Summary: Stereoscopic 3D (S3D) has been linked to visual discomfort and fatigue. Viewers watched the same movie in either 2D or stereo 3D (between-subjects design). Around 14% reported effects such as headache and eyestrain linked to S3D itself, while 8% report adverse effects attributable to 3D glasses or negative expectations. PMID:24874550

  11. Proton chemical shift tensors determined by 3D ultrafast MAS double-quantum NMR spectroscopy

    SciTech Connect

    Zhang, Rongchun; Mroue, Kamal H.; Ramamoorthy, Ayyalusamy

    2015-10-14

    Proton NMR spectroscopy in the solid state has recently attracted much attention owing to the significant enhancement in spectral resolution afforded by the remarkable advances in ultrafast magic angle spinning (MAS) capabilities. In particular, proton chemical shift anisotropy (CSA) has become an important tool for obtaining specific insights into inter/intra-molecular hydrogen bonding. However, even at the highest currently feasible spinning frequencies (110–120 kHz), {sup 1}H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong {sup 1}H–{sup 1}H homonuclear dipolar couplings and narrow {sup 1}H chemical shift (CS) ranges, which render it difficult to determine the CSA of specific proton sites in the standard CSA/single-quantum (SQ) chemical shift correlation experiment. Herein, we propose a three-dimensional (3D) {sup 1}H double-quantum (DQ) chemical shift/CSA/SQ chemical shift correlation experiment to extract the CS tensors of proton sites whose signals are not well resolved along the single-quantum chemical shift dimension. As extracted from the 3D spectrum, the F1/F3 (DQ/SQ) projection provides valuable information about {sup 1}H–{sup 1}H proximities, which might also reveal the hydrogen-bonding connectivities. In addition, the F2/F3 (CSA/SQ) correlation spectrum, which is similar to the regular 2D CSA/SQ correlation experiment, yields chemical shift anisotropic line shapes at different isotropic chemical shifts. More importantly, since the F2/F1 (CSA/DQ) spectrum correlates the CSA with the DQ signal induced by two neighboring proton sites, the CSA spectrum sliced at a specific DQ chemical shift position contains the CSA information of two neighboring spins indicated by the DQ chemical shift. If these two spins have different CS tensors, both tensors can be extracted by numerical fitting. We believe that this robust and elegant single-channel proton-based 3D experiment provides useful atomistic

  12. Determination of relative orientation between (1)H CSA tensors from a 3D solid-state NMR experiment mediated through (1)H/(1)H RFDR mixing under ultrafast MAS.

    PubMed

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-09-01

    To obtain piercing insights into inter and intramolecular H-bonding, and π-electron interactions measurement of (1)H chemical shift anisotropy (CSA) tensors is gradually becoming an obvious choice. While the magnitude of CSA tensors provides unique information about the local electronic environment surrounding the nucleus, the relative orientation between these tensors can offer further insights into the spatial arrangement of interacting nuclei in their respective three-dimensional (3D) space. In this regard, we present a 3D anisotropic/anisotropic/isotropic proton chemical shift (CSA/CSA/CS) correlation experiment mediated through (1)H/(1)H radio frequency-driven recoupling (RFDR) which enhances spin diffusion through recoupled (1)H-(1)H dipolar couplings under ultrafast magic angle spinning (MAS) frequency (70kHz). Relative orientation between two interacting 1H CSA tensors is obtained by fitting two-interacting (1)H CSA tensors by fitting two-dimensional (2D) (1)H/(1)H CSA/CSA spectral slices through extensive numerical simulations. To recouple (1)H CSAs in the indirect frequency dimensions of a 3D experiment we have employed γ-encoded radio frequency (RF) pulse sequence based on R-symmetry (R188(7)) with a series of phase-alternated 2700(°)-90180(°) composite-180° pulses on citric acid sample. Due to robustness of applied (1)H CSA recoupling sequence towards the presence of RF field inhomogeneity, we have successfully achieved an excellent (1)H/(1)H CSA/CSA cross-correlation efficiency between H-bonded sites of citric acid. PMID:26065628

  13. User experience while viewing stereoscopic 3D television.

    PubMed

    Read, Jenny C A; Bohr, Iwo

    2014-01-01

    3D display technologies have been linked to visual discomfort and fatigue. In a lab-based study with a between-subjects design, 433 viewers aged from 4 to 82 years watched the same movie in either 2D or stereo 3D (S3D), and subjectively reported on a range of aspects of their viewing experience. Our results suggest that a minority of viewers, around 14%, experience adverse effects due to viewing S3D, mainly headache and eyestrain. A control experiment where participants viewed 2D content through 3D glasses suggests that around 8% may report adverse effects which are not due directly to viewing S3D, but instead are due to the glasses or to negative preconceptions about S3D (the 'nocebo effect'). Women were slightly more likely than men to report adverse effects with S3D. We could not detect any link between pre-existing eye conditions or low stereoacuity and the likelihood of experiencing adverse effects with S3D. PMID:24874550

  14. Dihydrofolate reductase: Sequential resonance assignments using 2D and 3D NMR and secondary structure determination in solution

    SciTech Connect

    Carr, M.D.; Birdsall, B.; Jimenez-Barbero, J.; Polshakov, V.I.; McCormick, J.E.; Feeney, J.; Frenkiel, T.A.; Bauer, C.J. ); Roberts, G.C.K. )

    1991-06-25

    Three-dimensional (3D) heteronuclear NMR techniques have been used to make sequential {sup 1}H and {sup 15}H resonance assignments for most of the residues of Lactobacillus casei dihydrofolate reductase (DHFR), a monomeric protein of molecular mass 18,300 Da. A uniformly {sup 15}N-labeled sample of the protein was prepared and its complex with methotrexate (MTX) studied by 3D {sup 15}N/{sup 1}H nuclear Overhauserheteronuclear multiple quantum coherence (NOESY-HMQC), Harmann-Hahn-heteronuclear multiple quantum coherence (HOHAHA-HMQC), and HMQC-NOESY-HMQC experiments. These experiments overcame most of the spectral overlap problems caused by chemical shift degeneracies in 2D spectra and allowed the {sup 1}H-{sup 1}H through-space and through-bond connectivities to be identified unambiguously, leading to the resonance assignments. The novel HMQC-NOESY-HMQC experiment allows NOE cross peaks to be detected between NH protons even when their {sup 1}H chemical shifts are degenerate as long as the amide {sup 15}N chemical shifts are nondegenerate. The 3D experiments, in combination with conventional 2D NOESY, COSY, and HOHAHA experiments on unlabelled and selectively deuterated DHFR, provide backbone assignments for 146 of the 162 residues and side-chain assignments for 104 residues of the protein. Data from the NOE-based experiments and identification of the slowly exchanging amide protons provide detailed information about the secondary structure of the binary complex of the protein with methotrexate.

  15. HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections.

    PubMed

    Cornilescu, Gabriel; Bahrami, Arash; Tonelli, Marco; Markley, John L; Eghbalnia, Hamid R

    2007-08-01

    We describe a novel method for the robust, rapid, and reliable determination of J couplings in multi-dimensional NMR coupling data, including small couplings from larger proteins. The method, "High-resolution Iterative Frequency Identification of Couplings" (HIFI-C) is an extension of the adaptive and intelligent data collection approach introduced earlier in HIFI-NMR. HIFI-C collects one or more optimally tilted two-dimensional (2D) planes of a 3D experiment, identifies peaks, and determines couplings with high resolution and precision. The HIFI-C approach, demonstrated here for the 3D quantitative J method, offers vital features that advance the goal of rapid and robust collection of NMR coupling data. (1) Tilted plane residual dipolar couplings (RDC) data are collected adaptively in order to offer an intelligent trade off between data collection time and accuracy. (2) Data from independent planes can provide a statistical measure of reliability for each measured coupling. (3) Fast data collection enables measurements in cases where sample stability is a limiting factor (for example in the presence of an orienting medium required for residual dipolar coupling measurements). (4) For samples that are stable, or in experiments involving relatively stronger couplings, robust data collection enables more reliable determinations of couplings in shorter time, particularly for larger biomolecules. As a proof of principle, we have applied the HIFI-C approach to the 3D quantitative J experiment to determine N-C' RDC values for three proteins ranging from 56 to 159 residues (including a homodimer with 111 residues in each subunit). A number of factors influence the robustness and speed of data collection. These factors include the size of the protein, the experimental set up, and the coupling being measured, among others. To exhibit a lower bound on robustness and the potential for time saving, the measurement of dipolar couplings for the N-C' vector represents a realistic

  16. High-Resolution 3D Structure Determination of Kaliotoxin by Solid-State NMR Spectroscopy

    PubMed Central

    Korukottu, Jegannath; Schneider, Robert; Vijayan, Vinesh; Lange, Adam; Pongs, Olaf; Becker, Stefan; Baldus, Marc; Zweckstetter, Markus

    2008-01-01

    High-resolution solid-state NMR spectroscopy can provide structural information of proteins that cannot be studied by X-ray crystallography or solution NMR spectroscopy. Here we demonstrate that it is possible to determine a protein structure by solid-state NMR to a resolution comparable to that by solution NMR. Using an iterative assignment and structure calculation protocol, a large number of distance restraints was extracted from 1H/1H mixing experiments recorded on a single uniformly labeled sample under magic angle spinning conditions. The calculated structure has a coordinate precision of 0.6 Å and 1.3 Å for the backbone and side chain heavy atoms, respectively, and deviates from the structure observed in solution. The approach is expected to be applicable to larger systems enabling the determination of high-resolution structures of amyloid or membrane proteins. PMID:18523586

  17. Evaluation of viewing experiences induced by curved 3D display

    NASA Astrophysics Data System (ADS)

    Mun, Sungchul; Park, Min-Chul; Yano, Sumio

    2015-05-01

    As advanced display technology has been developed, much attention has been given to flexible panels. On top of that, with the momentum of the 3D era, stereoscopic 3D technique has been combined with the curved displays. However, despite the increased needs for 3D function in the curved displays, comparisons between curved and flat panel displays with 3D views have rarely been tested. Most of the previous studies have investigated their basic ergonomic aspects such as viewing posture and distance with only 2D views. It has generally been known that curved displays are more effective in enhancing involvement in specific content stories because field of views and distance from the eyes of viewers to both edges of the screen are more natural in curved displays than in flat panel ones. For flat panel displays, ocular torsions may occur when viewers try to move their eyes from the center to the edges of the screen to continuously capture rapidly moving 3D objects. This is due in part to differences in viewing distances from the center of the screen to eyes of viewers and from the edges of the screen to the eyes. Thus, this study compared S3D viewing experiences induced by a curved display with those of a flat panel display by evaluating significant subjective and objective measures.

  18. Interlopers 3D: experiences designing a stereoscopic game

    NASA Astrophysics Data System (ADS)

    Weaver, James; Holliman, Nicolas S.

    2014-03-01

    Background In recent years 3D-enabled televisions, VR headsets and computer displays have become more readily available in the home. This presents an opportunity for game designers to explore new stereoscopic game mechanics and techniques that have previously been unavailable in monocular gaming. Aims To investigate the visual cues that are present in binocular and monocular vision, identifying which are relevant when gaming using a stereoscopic display. To implement a game whose mechanics are so reliant on binocular cues that the game becomes impossible or at least very difficult to play in non-stereoscopic mode. Method A stereoscopic 3D game was developed whose objective was to shoot down advancing enemies (the Interlopers) before they reached their destination. Scoring highly required players to make accurate depth judgments and target the closest enemies first. A group of twenty participants played both a basic and advanced version of the game in both monoscopic 2D and stereoscopic 3D. Results The results show that in both the basic and advanced game participants achieved higher scores when playing in stereoscopic 3D. The advanced game showed that by disrupting the depth from motion cue the game became more difficult in monoscopic 2D. Results also show a certain amount of learning taking place over the course of the experiment, meaning that players were able to score higher and finish the game faster over the course of the experiment. Conclusions Although the game was not impossible to play in monoscopic 2D, participants results show that it put them at a significant disadvantage when compared to playing in stereoscopic 3D.

  19. Cooling of 3D Granular Gases: Experiments in Microgravity

    NASA Astrophysics Data System (ADS)

    Harth, Kirsten; Wegner, Sandra; Trittel, Torsten; Stannarius, Ralf

    Granular gases are ensembles of macroscopic grains, which move randomly and interact through inelastic collisions. This non-equilibrium statistical system is easy to picture, but still insufficiently understood. Numerous theoretical treatments have been performed, favorably with spherical grains and periodic boundaries, starting from a homogeneous state. Experimentally, such a gas in 3D can only be realized with strong external forcing or in microgravity. We have recently demonstrated that the use of elongated grains facilitates the realization of 3D experiments beyond the Knudsen regime (1). Main findings in a sounding rocket experiment were non-Gaussian velocity distributions and a violation of the equipartition of kinetic energy in the steady state. Rotational degrees of freedom are under-excited. When the excitation is stopped, energy is dissipated, the granular gas is ''cooling''. We present the first quantitative study of the cooling of a granular gas, based on a 3D data evaluation, from drop tower experiments. The evolution of the kinetic energy in translational and rotational degrees of freedom is compared to Haff's law and recent numerical studies. Additionally, we analyze velocity and density distributions.(1) K. Harth et al., Phys. Rev. Lett. 110 144102 (2013) This research was funded by German Aerospace Center DLR Grants 50WM1241 and 50WB1344 and by DFG Grant STA-425/34-1.

  20. 3D Seismic Reflection Experiment over the Galicia Deep Basin

    NASA Astrophysics Data System (ADS)

    Sawyer, D. S.; Jordan, B.; Reston, T. J.; Minshull, T. A.; Klaeschen, D.; Ranero, C.; Shillington, D. J.; Morgan, J. K.

    2014-12-01

    In June thru September, 2013, a 3D reflection and a long offset seismic experiment were conducted at the Galicia rifted margin by investigators from the US, UK, Germany, and Spain. The 3D multichannel experiment covered 64 km by 20 km (1280 km2), using the RV Marcus Langseth. Four streamers 6 km long were deployed at 12.5 m hydrophone channel spacing. The streamers were 200 m apart. Two airgun arrays, each 3300 cu in, were fired alternately every 37.5 m, to collectively yield a 400 m wide sail line consisting of 8 CMP lines at 50 m spacing. The long offset seismic experiment included 72 short period OBS's deployed below the 3D reflection survey box. Most of the instruments recorded all the shots from the airgun array shots. The 3D seismic box covered a variety of geologic features. The Peridotite Ridge (PR), is associated with the exhumation of upper mantle rocks to the seafloor during the final stage of the continental separation between the Galicia Bank and the Grand Banks of Newfoundland. The S reflector is present below most of the continental blocks under the deep Galicia basin. S is interpreted to be a low-angle detachment fault formed late in the rifting process, and a number of rotated fault block basins and ranges containing pre and syn-rift sediments. Initial observations from stacked 3D seismic data, and samples of 2D pre-stack time migrated (PSTM) 3D seismic data show that the PR is elevated above the present seafloor in the South and not exposed through the seafloor in the North. The relative smoothness of the PR surface for the entire 20 km N-S contrasts with the more complex, shorter wavelength, faulting of the continental crustal blocks to the east. The PR does not seem to show offsets or any apparent internal structure. The PSTM dip lines show substantial improvement for the structures in the deep sedimentary basin East of the PR. These seem to extend the S reflector somewhat farther to the West. The migrated data show a substantial network of

  1. An NMR Kinetics Experiment.

    ERIC Educational Resources Information Center

    Kaufman, Don; And Others

    1982-01-01

    Outlines advantages of and provides background information, procedures, and typical student data for an experiment determining rate of hydration of p-methyoxyphenylacetylene (III), followed by nuclear magnetic resonance spectroscopy. Reaction rate can be adjusted to meet time framework of a particular laboratory by altering concentration of…

  2. 3D Seismic Reflection Experiment Over the Galicia Deep Basin

    NASA Astrophysics Data System (ADS)

    Sawyer, Dale; Jordan, Brian; Tesi Sanjurjo, Mari; Alexanian, Ara; Morgan, Julia; Shillington, Donna; Reston, Timothy; Minshull, Timothy; Klaeschen, Dirk; Ranero, César

    2014-05-01

    In June thru September, 2013, a 3D reflection and a long offset seismic experiment were conducted at the Galicia rifted margin by investigators from the US, UK, Germany, and Spain. The 3D multichannel experiment covered 64 km by 20 km (1280 km2), using the RV Marcus Langseth. Four streamers 6 km long were deployed at 12.5 m hydrophone channel spacing. The streamers were 200 m apart. Two airgun arrays, each 3300 cu in, were fired alternately every 37.5 m, to collectively yield a 400 m wide sail line consisting of 8 CMP lines at 50 m spacing. The long offset seismic experiment included 72 short period OBS's deployed below the 3D reflection survey box. Most of the instruments recorded all the shots from the airgun array shots. The 3D seismic box covered a variety of geologic features. The Peridotite Ridge (PR), is associated with the exhumation of upper mantle rocks to the seafloor during the final stage of the continental separation between the Galicia Bank and the Grand Banks of Newfoundland. The S reflector is present below most of the continental blocks under the deep Galicia basin. S is interpreted to be a low-angle detachment fault formed late in the rifting process, and a number of rotated fault block basins and ranges containing pre and syn-rift sediments. Initial observations from stacked, but not yet migrated, 3D seismic data show that the PR is elevated above the present seafloor in the South and not exposed through the seafloor in the North. The relative smoothness of the PR surface for the entire 20 km N-S contrasts with the more complex, shorter wavelength, faulting of the continental crustal blocks to the east. The PR does not seem to show offsets or any apparent internal structure. However, migration will be required to see internal structure of the PR. Between the PR and the western most rifted continental crustal blocks, is a sedimentary basin about as wide as the PR and very different from the sedimentary basins bounded by the continental crustal

  3. Clinical Experience With A Portable 3-D Reconstruction Program

    NASA Astrophysics Data System (ADS)

    Holshouser, Barbara A.; Christiansen, Edwin L.; Thompson, Joseph R.; Reynolds, R. Anthony; Goldwasser, Samuel M.

    1988-06-01

    Clinical experience with a computer program for reconstructing and visualizing three-dimensional (3-D) structures is reported. Applications to the study of soft-tissue and skeletal structures, such as the temporomandibular joint and craniofacial anatomy, using computed tomography (CT) data are described. Several features specific to the computer algorithm are demonstrated and evaluated. These include: (1) manipulation of density windows to selectively visualize bone or soft tissue structures; (2) the efficacy of gradient shading algorithms in revealing fine surface detail; and (3) the rapid generation of cut-away views revealing details of internal structures. Also demonstrated is the importance of high resolution data as input to the 3-D program. The implementation of the program (VoxelView-32) described here, is on a MASSCOMP computer running UNIX. Data were collected with General Electric or Siemens CT scanners and transferred to the MASSCOMP for off-line 3-D recon-struction, via magnetic tape or Ethernet. An interactive graphics facility on the MASSCOMP allows viewing of 2-D slices, subregioning, and selection of lower and upper density thresholds for segmentation. The software then enters a pre-processing phase during which a volume representation of the segmented object (soft tissue or bone) is automatically created. This is followed by a rendering phase during which multiple views of the segmented object are automatically generated. The pre-processing phase typically takes 4 to 8 minutes (although very large datasets may require as much as 30 minutes) and the rendering phase typically takes 1 to 2 minutes for each 3-D view. Volume representation and rendering techniques are used at all stages of the processing, and gradient shading is used for enhanced surface detail.

  4. Evaluation of the reliability of the maximum entropy method for reconstructing 3D and 4D NOESY-type NMR spectra of proteins.

    PubMed

    Shigemitsu, Yoshiki; Ikeya, Teppei; Yamamoto, Akihiro; Tsuchie, Yuusuke; Mishima, Masaki; Smith, Brian O; Güntert, Peter; Ito, Yutaka

    2015-02-01

    Despite their advantages in analysis, 4D NMR experiments are still infrequently used as a routine tool in protein NMR projects due to the long duration of the measurement and limited digital resolution. Recently, new acquisition techniques for speeding up multidimensional NMR experiments, such as nonlinear sampling, in combination with non-Fourier transform data processing methods have been proposed to be beneficial for 4D NMR experiments. Maximum entropy (MaxEnt) methods have been utilised for reconstructing nonlinearly sampled multi-dimensional NMR data. However, the artefacts arising from MaxEnt processing, particularly, in NOESY spectra have not yet been clearly assessed in comparison with other methods, such as quantitative maximum entropy, multidimensional decomposition, and compressed sensing. We compared MaxEnt with other methods in reconstructing 3D NOESY data acquired with variously reduced sparse sampling schedules and found that MaxEnt is robust, quick and competitive with other methods. Next, nonlinear sampling and MaxEnt processing were applied to 4D NOESY experiments, and the effect of the artefacts of MaxEnt was evaluated by calculating 3D structures from the NOE-derived distance restraints. Our results demonstrated that sufficiently converged and accurate structures (RMSD of 0.91Å to the mean and 1.36Å to the reference structures) were obtained even with NOESY spectra reconstructed from 1.6% randomly selected sampling points for indirect dimensions. This suggests that 3D MaxEnt processing in combination with nonlinear sampling schedules is still a useful and advantageous option for rapid acquisition of high-resolution 4D NOESY spectra of proteins. PMID:25545060

  5. Cosmic origins: experiences making a stereoscopic 3D movie

    NASA Astrophysics Data System (ADS)

    Holliman, Nick

    2010-02-01

    Context: Stereoscopic 3D movies are gaining rapid acceptance commercially. In addition our previous experience with the short 3D movie "Cosmic Cookery" showed that there is great public interest in the presentation of cosmology research using this medium. Objective: The objective of the work reported in this paper was to create a three-dimensional stereoscopic movie describing the life of the Milky way galaxy. This was a technical and artistic exercise to take observed and simulated data from leading scientists and produce a short (six minute) movie that describes how the Milky Way was created and what happens in its future. The initial target audience was the visitors to the Royal Society's 2009 Summer Science Exhibition in central London, UK. The movie is also intended to become a presentation tool for scientists and educators following the exhibition. Apparatus: The presentation and playback systems used consisted of off-the shelf devices and software. The display platform for the Royal Society presentation was a RealD LP Pro switch used with a DLP projector to rear project a 4 metre diagonal image. The LP Pro enables the use of cheap disposable linearly polarising glasses so that the high turnover rate of the audience (every ten minutes at peak times) could be sustained without needing delays to clean the glasses. The playback system was a high speed PC with an external 8Tb RAID driving the projectors at 30Hz per eye, the Lightspeed DepthQ software was used to decode and generate the video stream. Results: A wide range of tools were used to render the image sequences, ranging from commercial to custom software. Each tool was able to produce a stream of 1080p images in stereo at 30fps. None of the rendering tools used allowed precise calibration of the stereo effect at render time and therefore all sequences were tuned extensively in a trial and error process until the stereo effect was acceptable and supported a comfortable viewing experience. Conclusion: We

  6. Simulation of underwater explosion benchmark experiments with ALE3D

    SciTech Connect

    Couch, R.; Faux, D.

    1997-05-19

    Some code improvements have been made during the course of this study. One immediately obvious need was for more flexibility in the constitutive representation for materials in shell elements. To remedy this situation, a model with a tabular representation of stress versus strain and rate dependent effects was implemented. This was required in order to obtain reasonable results in the IED cylinder simulation. Another deficiency was in the ability to extract and plot variables associated with shell elements. The pipe whip analysis required the development of a scheme to tally and plot time dependent shell quantities such as stresses and strains. This capability had previously existed only for solid elements. Work was initiated to provide the same range of plotting capability for structural elements that exist with the DYNA3D/TAURUS tools. One of the characteristics of these problems is the disparity in zoning required in the vicinity of the charge and bubble compared to that needed in the far field. This disparity can cause the equipotential relaxation logic to provide a less than optimal solution. Various approaches were utilized to bias the relaxation to obtain more optimal meshing during relaxation. Extensions of these techniques have been developed to provide more powerful options, but more work still needs to be done. The results presented here are representative of what can be produced with an ALE code structured like ALE3D. They are not necessarily the best results that could have been obtained. More experience in assessing sensitivities to meshing and boundary conditions would be very useful. A number of code deficiencies discovered in the course of this work have been corrected and are available for any future investigations.

  7. Orphan spin operators enable the acquisition of multiple 2D and 3D magic angle spinning solid-state NMR spectra

    NASA Astrophysics Data System (ADS)

    Gopinath, T.; Veglia, Gianluigi

    2013-05-01

    We propose a general method that enables the acquisition of multiple 2D and 3D solid-state NMR spectra for U-13C, 15N-labeled proteins. This method, called MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), makes it possible to detect four coherence transfer pathways simultaneously, utilizing orphan (i.e., neglected) spin operators of nuclear spin polarization generated during 15N-13C cross polarization (CP). In the MEIOSIS experiments, two phase-encoded free-induction decays are decoded into independent nuclear polarization pathways using Hadamard transformations. As a proof of principle, we show the acquisition of multiple 2D and 3D spectra of U-13C, 15N-labeled microcrystalline ubiquitin. Hadamard decoding of CP coherences into multiple independent spin operators is a new concept in solid-state NMR and is extendable to many other multidimensional experiments. The MEIOSIS method will increase the throughput of solid-state NMR techniques for microcrystalline proteins, membrane proteins, and protein fibrils.

  8. 3-D and the Penn reef play - recent experience

    SciTech Connect

    Nester, D.C. ); Erwin, G. ); Duncan, P.M. )

    1993-09-01

    Three-dimensional (3-D) seismic has driven a resurgence of the reef play in the Permian basin over the last two years. Surveys are being shot over 100 and 200 sections at a time, fueling what has become increasingly a land play. Drilling success ratios in excess of 80% are being claimed. Good wells are being made, sometimes within sight of a dry hole. This paper presents a methodology for the proper use of 3-D as an exploration tool with field examples taken from west Texas.

  9. An Inversion Recovery NMR Kinetics Experiment

    ERIC Educational Resources Information Center

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…

  10. The SEE Experience: Edutainment in 3D Virtual Worlds.

    ERIC Educational Resources Information Center

    Di Blas, Nicoletta; Paolini, Paolo; Hazan, Susan

    Shared virtual worlds are innovative applications where several users, represented by Avatars, simultaneously access via Internet a 3D space. Users cooperate through interaction with the environment and with each other, manipulating objects and chatting as they go. Apart from in the well documented online action games industry, now often played…

  11. Communicating Experience of 3D Space: Mathematical and Everyday Discourse

    ERIC Educational Resources Information Center

    Morgan, Candia; Alshwaikh, Jehad

    2012-01-01

    In this article we consider data arising from student-teacher-researcher interactions taking place in the context of an experimental teaching program making use of multiple modes of communication and representation to explore three-dimensional (3D) shape. As teachers/researchers attempted to support student use of a logo-like formal language for…

  12. Parallel PAB3D: Experiences with a Prototype in MPI

    NASA Technical Reports Server (NTRS)

    Guerinoni, Fabio; Abdol-Hamid, Khaled S.; Pao, S. Paul

    1998-01-01

    PAB3D is a three-dimensional Navier Stokes solver that has gained acceptance in the research and industrial communities. It takes as computational domain, a set disjoint blocks covering the physical domain. This is the first report on the implementation of PAB3D using the Message Passing Interface (MPI), a standard for parallel processing. We discuss briefly the characteristics of tile code and define a prototype for testing. The principal data structure used for communication is derived from preprocessing "patching". We describe a simple interface (COMMSYS) for MPI communication, and some general techniques likely to be encountered when working on problems of this nature. Last, we identify levels of improvement from the current version and outline future work.

  13. A full field, 3-D velocimeter for microgravity crystallization experiments

    NASA Technical Reports Server (NTRS)

    Brodkey, Robert S.; Russ, Keith M.

    1991-01-01

    The programming and algorithms needed for implementing a full-field, 3-D velocimeter for laminar flow systems and the appropriate hardware to fully implement this ultimate system are discussed. It appears that imaging using a synched pair of video cameras and digitizer boards with synched rails for camera motion will provide a viable solution to the laminar tracking problem. The algorithms given here are simple, which should speed processing. On a heavily loaded VAXstation 3100 the particle identification can take 15 to 30 seconds, with the tracking taking less than one second. It seeems reasonable to assume that four image pairs can thus be acquired and analyzed in under one minute.

  14. Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS

    NASA Astrophysics Data System (ADS)

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2016-01-01

    Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D 1H/13C/1H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond 13C/1H and 13C/13C chemical shift correlations, the 3D 1H/13C/1H experiment also provides a COSY-type 1H/1H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices (1H/1H chemical shift correlation spectrum) at different 13C chemical shift frequencies from the 3D 1H/13C/1H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D 1H/13C/1H experiment would be useful to study the structure and dynamics of a variety of chemical and biological

  15. Constant-time 2D and 3D through-bond correlation NMR spectroscopy of solids under 60 kHz MAS.

    PubMed

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy

    2016-01-21

    Establishing connectivity and proximity of nuclei is an important step in elucidating the structure and dynamics of molecules in solids using magic angle spinning (MAS) NMR spectroscopy. Although recent studies have successfully demonstrated the feasibility of proton-detected multidimensional solid-state NMR experiments under ultrafast-MAS frequencies and obtaining high-resolution spectral lines of protons, assignment of proton resonances is a major challenge. In this study, we first re-visit and demonstrate the feasibility of 2D constant-time uniform-sign cross-peak correlation (CTUC-COSY) NMR experiment on rigid solids under ultrafast-MAS conditions, where the sensitivity of the experiment is enhanced by the reduced spin-spin relaxation rate and the use of low radio-frequency power for heteronuclear decoupling during the evolution intervals of the pulse sequence. In addition, we experimentally demonstrate the performance of a proton-detected pulse sequence to obtain a 3D (1)H/(13)C/(1)H chemical shift correlation spectrum by incorporating an additional cross-polarization period in the CTUC-COSY pulse sequence to enable proton chemical shift evolution and proton detection in the incrementable t1 and t3 periods, respectively. In addition to through-space and through-bond (13)C/(1)H and (13)C/(13)C chemical shift correlations, the 3D (1)H/(13)C/(1)H experiment also provides a COSY-type (1)H/(1)H chemical shift correlation spectrum, where only the chemical shifts of those protons, which are bonded to two neighboring carbons, are correlated. By extracting 2D F1/F3 slices ((1)H/(1)H chemical shift correlation spectrum) at different (13)C chemical shift frequencies from the 3D (1)H/(13)C/(1)H spectrum, resonances of proton atoms located close to a specific carbon atom can be identified. Overall, the through-bond and through-space homonuclear/heteronuclear proximities determined from the 3D (1)H/(13)C/(1)H experiment would be useful to study the structure and dynamics of

  16. Numerical modelling of gravel unconstrained flow experiments with the DAN3D and RASH3D codes

    NASA Astrophysics Data System (ADS)

    Sauthier, Claire; Pirulli, Marina; Pisani, Gabriele; Scavia, Claudio; Labiouse, Vincent

    2015-12-01

    Landslide continuum dynamic models have improved considerably in the last years, but a consensus on the best method of calibrating the input resistance parameter values for predictive analyses has not yet emerged. In the present paper, numerical simulations of a series of laboratory experiments performed at the Laboratory for Rock Mechanics of the EPF Lausanne were undertaken with the RASH3D and DAN3D numerical codes. They aimed at analysing the possibility to use calibrated ranges of parameters (1) in a code different from that they were obtained from and (2) to simulate potential-events made of a material with the same characteristics as back-analysed past-events, but involving a different volume and propagation path. For this purpose, one of the four benchmark laboratory tests was used as past-event to calibrate the dynamic basal friction angle assuming a Coulomb-type behaviour of the sliding mass, and this back-analysed value was then used to simulate the three other experiments, assumed as potential-events. The computational findings show good correspondence with experimental results in terms of characteristics of the final deposits (i.e., runout, length and width). Furthermore, the obtained best fit values of the dynamic basal friction angle for the two codes turn out to be close to each other and within the range of values measured with pseudo-dynamic tilting tests.

  17. A Parameterizable Framework for Replicated Experiments in Virtual 3D Environments

    NASA Astrophysics Data System (ADS)

    Biella, Daniel; Luther, Wolfram

    This paper reports on a parameterizable 3D framework that provides 3D content developers with an initial spatial starting configuration, metaphorical connectors for accessing exhibits or interactive 3D learning objects or experiments, and other optional 3D extensions, such as a multimedia room, a gallery, username identification tools and an avatar selection room. The framework is implemented in X3D and uses a Web-based content management system. It has been successfully used for an interactive virtual museum for key historical experiments and in two additional interactive e-learning implementations: an African arts museum and a virtual science centre. It can be shown that, by reusing the framework, the production costs for the latter two implementations can be significantly reduced and content designers can focus on developing educational content instead of producing cost-intensive out-of-focus 3D objects.

  18. Accelerating multidimensional NMR and MRI experiments using iterated maps

    NASA Astrophysics Data System (ADS)

    Barrett, Sean; Frey, Merideth; Sethna, Zachary; Manley, Gregory; Sengupta, Suvrajit; Zilm, Kurt; Loria, J. Patrick

    2014-03-01

    Techniques that accelerate data acquisition without sacrificing the advantages of fast Fourier transform (FFT) reconstruction could benefit a wide variety of magnetic resonance experiments. Here we discuss an approach for reconstructing multidimensional nuclear magnetic resonance (NMR) spectra and MR images from sparsely-sampled time domain data, by way of iterated maps. This method exploits the computational speed of the FFT algorithm and is done in a deterministic way, by reformulating any a priori knowledge or constraints into projections, and then iterating. In this paper we explain the motivation behind this approach, the formulation of the specific projections, the benefits of using a `QUasi-Even Sampling, plus jiTter' (QUEST) sampling schedule, and various methods for handling noise. Applying the iterated maps method to real 2D NMR and 3D MRI of solids data, we show that it is flexible and robust enough to handle large data sets with significant noise and artifacts.

  19. Accelerating multidimensional NMR and MRI experiments using iterated maps

    NASA Astrophysics Data System (ADS)

    Frey, Merideth A.; Sethna, Zachary M.; Manley, Gregory A.; Sengupta, Suvrajit; Zilm, Kurt W.; Loria, J. Patrick; Barrett, Sean E.

    2013-12-01

    Techniques that accelerate data acquisition without sacrificing the advantages of fast Fourier transform (FFT) reconstruction could benefit a wide variety of magnetic resonance experiments. Here we discuss an approach for reconstructing multidimensional nuclear magnetic resonance (NMR) spectra and MR images from sparsely-sampled time domain data, by way of iterated maps. This method exploits the computational speed of the FFT algorithm and is done in a deterministic way, by reformulating any a priori knowledge or constraints into projections, and then iterating. In this paper we explain the motivation behind this approach, the formulation of the specific projections, the benefits of using a ‘QUasi-Even Sampling, plus jiTter' (QUEST) sampling schedule, and various methods for handling noise. Applying the iterated maps method to real 2D NMR and 3D MRI of solids data, we show that it is flexible and robust enough to handle large data sets with significant noise and artifacts.

  20. Totally robotic vs 3D laparoscopic colectomy: A single centers preliminary experience

    PubMed Central

    Guerrieri, Mario; Campagnacci, Roberto; Sperti, Pierluigi; Belfiori, Giulio; Gesuita, Rosaria; Ghiselli, Roberto

    2015-01-01

    AIM: To compare robotic and three-dimensional (3D) laparoscopic colectomy based on the literature and our preliminary experience. METHODS: This retrospective observational study compared operative measures and postoperative outcomes between laparoscopic 3D and robotic colectomy for cancer. From September 2013 to September 2014, 24 robotic colectomies and 23 3D laparoscopic colectomy were performed at our Department. Data were analyzed and reported both by approach and by colectomy side. Robotic left colectomy (RL) vs laparoscopic 3D left colectomy (LL 3D) and Robotic right colectomy (RR) vs laparoscopic 3D (LR 3D). Rectal cancer procedures were not included. RESULTS: There were 18 RR and 11 LR 3D, 6 RL and 12 LL 3D. As regards LR 3D, extracorporeal anastomosis (EA) was performed in 7 patients and intracorporeal anastomosis (IA) in 4; the RR group included 14 IA and 4 EA. There was no mortality. Median operative time was higher for the robotic group while conversion rate (12.5% vs 13%) and lymph nodes removed (14 vs 13) were similar for both. First flatus time was 1 d for RR and 2 d the other patient groups. Oral intake was resumed in 1 d by LR and in 2 d by the other patients (P = 0.012). Overall cost was €4950 and €1950 for RL and LL 3D, and €4450 and €1450 for RR and LR 3D, respectively. CONCLUSION: There were no differences between RR and LR 3D, except that IA was easier with RR, and probably contributed with the learning curve to the longer operative time recorded. Both techniques offer similar advantages for the patient with significantly different costs. In left colectomies robotic colectomy provided better outcomes, especially in resections approaching the rectum. PMID:26674518

  1. A new multimodal interactive way of subjective scoring of 3D video quality of experience

    NASA Astrophysics Data System (ADS)

    Kim, Taewan; Lee, Kwanghyun; Lee, Sanghoon; Bovik, Alan C.

    2014-03-01

    People that watch today's 3D visual programs, such as 3D cinema, 3D TV and 3D games, experience wide and dynamically varying ranges of 3D visual immersion and 3D quality of experience (QoE). It is necessary to be able to deploy reliable methodologies that measure each viewers subjective experience. We propose a new methodology that we call Multimodal Interactive Continuous Scoring of Quality (MICSQ). MICSQ is composed of a device interaction process between the 3D display and a separate device (PC, tablet, etc.) used as an assessment tool, and a human interaction process between the subject(s) and the device. The scoring process is multimodal, using aural and tactile cues to help engage and focus the subject(s) on their tasks. Moreover, the wireless device interaction process makes it possible for multiple subjects to assess 3D QoE simultaneously in a large space such as a movie theater, and at di®erent visual angles and distances.

  2. ADAPT-NMR 3.0: utilization of BEST-type triple-resonance NMR experiments to accelerate the process of data collection and assignment

    PubMed Central

    Dashti, Hesam; Tonelli, Marco

    2015-01-01

    ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) is a software package whose Bayesian core uses on-the-fly chemical shift assignments to guide data acquisition by non-uniform sampling from a panel of through-bond NMR experiments. The new version of ADAPT-NMR (ADAPT-NMR v3.0) has the option of utilizing 2D tilted-plane versions of 3D fast spectral acquisition with BEST-type pulse sequences, while also retaining the capability of acquiring and processing data from tilted-plane versions of conventional sensitivity-enhanced experiments. The use of BEST experiments significantly reduces data collection times and leads to enhanced performance by ADAPT-NMR. PMID:26021595

  3. ADAPT-NMR 3.0: utilization of BEST-type triple-resonance NMR experiments to accelerate the process of data collection and assignment.

    PubMed

    Dashti, Hesam; Tonelli, Marco; Markley, John L

    2015-07-01

    ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) is a software package whose Bayesian core uses on-the-fly chemical shift assignments to guide data acquisition by non-uniform sampling from a panel of through-bond NMR experiments. The new version of ADAPT-NMR (ADAPT-NMR v3.0) has the option of utilizing 2D tilted-plane versions of 3D fast spectral acquisition with BEST-type pulse sequences, while also retaining the capability of acquiring and processing data from tilted-plane versions of conventional sensitivity-enhanced experiments. The use of BEST experiments significantly reduces data collection times and leads to enhanced performance by ADAPT-NMR. PMID:26021595

  4. Investigation Into the Utilization of 3D Printing in Laser Cooling Experiments

    NASA Astrophysics Data System (ADS)

    Hazlett, Eric; Nelson, Brandon; de Leon, Sam Diaz; Shaw, Jonah

    2016-05-01

    With the advancement of 3D printing new opportunities are abound in many different fields, but with the balance between the precisions of atomic physics experiments and the material properties of current 3D printers the benefit of 3D printing technology needs to be investigated. We report on the progress of two investigations of 3D printing of benefit to atomic physics experiments: laser feedback module and the other being an optical chopper. The first investigation looks into creation of a 3D printed laser diode feedback module. This 3D printed module would allow for the quick realization of an external cavity diode laser that would have an adjustable cavity distance. We will report on the first tests of this system, by looking at Rb spectroscopy and mode-hop free tuning range as well as possibilities of using these lasers for MOT generation. We will also discuss our investigation into a 3D-printed optical chopper that utilizes an Arduino and a computer hard drive motor. By implementing an additional Arduino we create a low cost way to quickly measure laser beam waists.

  5. Investigation Into the Utilization of 3D Printing in Laser Cooling Experiments

    NASA Astrophysics Data System (ADS)

    Hazlett, Eric

    With the advancement of 3D printing new opportunities are abound in many different fields, but with the balance between the precisions of atomic physics experiments and the material properties of current 3D printers the benefit of 3D printing technology needs to be investigated. We report on the progress of two investigations of 3D printing of benefit to atomic physics experiments: laser feedback module and the other being an optical chopper. The first investigation looks into creation of a 3D printed laser diode feedback module. This 3D printed module would allow for the quick realization of an external cavity diode laser that would have an adjustable cavity distance. We will report on the first tests of this system, by looking at Rb spectroscopy and mode-hop free tuning range as well as possibilities of using these lasers for MOT generation. We will also discuss our investigation into a 3D-printed optical chopper that utilizes an Arduino and a computer hard drive motor. By implementing an additional Arduino we create a low cost way to quickly measure laser beam waists

  6. Laboratory and in-flight experiments to evaluate 3-D audio display technology

    NASA Astrophysics Data System (ADS)

    Ericson, Mark; McKinley, Richard; Kibbe, Marion; Francis, Daniel

    1994-01-01

    Laboratory and in-flight experiments were conducted to evaluate 3-D audio display technology for cockpit applications. A 3-D audio display generator was developed which digitally encodes naturally occurring direction information onto any audio signal and presents the binaural sound over headphones. The acoustic image is stabilized for head movement by use of an electromagnetic head-tracking device. In the laboratory, a 3-D audio display generator was used to spatially separate competing speech messages to improve the intelligibility of each message. Up to a 25 percent improvement in intelligibility was measured for spatially separated speech at high ambient noise levels (115 dB SPL). During the in-flight experiments, pilots reported that spatial separation of speech communications provided a noticeable improvement in intelligibility. The use of 3-D audio for target acquisition was also investigated. In the laboratory, 3-D audio enabled the acquisition of visual targets in about two seconds average response time at 17 degrees accuracy. During the in-flight experiments, pilots correctly identified ground targets 50, 75, and 100 percent of the time at separation angles of 12, 20, and 35 degrees, respectively. In general, pilot performance in the field with the 3-D audio display generator was as expected, based on data from laboratory experiments.

  7. Subjective evaluation of user experience in interactive 3D visualization in a medical context

    NASA Astrophysics Data System (ADS)

    Tourancheau, Sylvain; Sjöström, Mårten; Olsson, Roger; Persson, Anders; Ericson, Thomas; Rudling, Johan; Norén, Bengt

    2012-02-01

    New display technologies enable the usage of 3D-visualization in a medical context. Even though user performance seems to be enhanced with respect to 2D thanks to the addition of recreated depth cues, human factors, and more particularly visual comfort and visual fatigue can still be a bridle to the widespread use of these systems. This study aimed at evaluating and comparing two different 3D visualization systems (a market stereoscopic display, and a state-of-the-art multi-view display) in terms of quality of experience (QoE), in the context of interactive medical visualization. An adapted methodology was designed in order to subjectively evaluate the experience of users. 14 medical doctors and 15 medical students took part in the experiment. After solving different tasks using the 3D reconstruction of a phantom object, they were asked to judge their quality of the experience, according to specific features. They were also asked to give their opinion about the influence of 3D-systems on their work conditions. Results suggest that medical doctors are opened to 3D-visualization techniques and are confident concerning their beneficial influence on their work. However, visual comfort and visual fatigue are still an issue of 3D-displays. Results obtained with the multi-view display suggest that the use of continuous horizontal parallax might be the future response to these current limitations.

  8. Subjective experiences of watching stereoscopic Avatar and U2 3D in a cinema

    NASA Astrophysics Data System (ADS)

    Pölönen, Monika; Salmimaa, Marja; Takatalo, Jari; Häkkinen, Jukka

    2012-01-01

    A stereoscopic 3-D version of the film Avatar was shown to 85 people who subsequently answered questions related to sickness, visual strain, stereoscopic image quality, and sense of presence. Viewing Avatar for 165 min induced some symptoms of visual strain and sickness, but the symptom levels remained low. A comparison between Avatar and previously published results for the film U2 3D showed that sickness and visual strain levels were similar despite the films' runtimes. The genre of the film had a significant effect on the viewers' opinions and sense of presence. Avatar, which has been described as a combination of action, adventure, and sci-fi genres, was experienced as more immersive and engaging than the music documentary U2 3D. However, participants in both studies were immersed, focused, and absorbed in watching the stereoscopic 3-D (S3-D) film and were pleased with the film environments. The results also showed that previous stereoscopic 3-D experience significantly reduced the amount of reported eye strain and complaints about the weight of the viewing glasses.

  9. Hydrodynamic growth experiments with the 3-D, “native-roughness” modulations on NIF

    NASA Astrophysics Data System (ADS)

    Smalyuk, V. A.; Weber, S. V.; Casey, D.; Clark, D. S.; Coppari, F.; Field, J. E.; Haan, S. W.; Hammel, B. A.; Hamza, A.; Hsing, W.; Landen, O.; Nikroo, A.; Robey, H. F.; Weber, C. R.

    2016-05-01

    Hydrodynamic instability growth experiments with threedimensional (3-D) surface-roughness modulations were performed on plastic (CH) shell spherical implosions at the National Ignition Facility (NIF). The initial capsule outer-surface roughness was similar to the standard specifications (“native roughness”) used in a majority of implosions on NIF. At a convergence ratio of ∼3, the measured tent modulations were close to those predicted by 3-D simulations (within ∼15-20%), while measured 3-D, broadband modulations were ∼3-4 times larger than those simulated based on the growth of the known imposed initial surface modulations. One of the hypotheses to explain the results is based on the increased instability amplitudes due to modulations of the oxygen content in the bulk of the capsule. These new experiments results have prompted looking for ways to reduce UV light exposure during target fabrication.

  10. Comparison of unstable water infiltration in porous media in 2D and 3D experiments

    NASA Astrophysics Data System (ADS)

    Schütz, C.; Neuweiler, I.; Lehmann, P.; Papafotiou, A.; Vontobel, P.; Hartmann, S.

    2010-05-01

    Water infiltration into unsaturated soil is an important process for groundwater recharge and thus for water balance of natural hydrosystems. The characteristics of infiltration patterns depend on porous media properties and initial moisture content. Infiltration fronts into soil can be unstable in layered media with fine over dry coarse material. To predict arrival times of infiltration fronts and average water content in upscaled models, it is necessary to understand occurrence of instabilities. The unstable flow behavior is not captured by standard models and finger characteristics have mostly been investigated experimentally. Most experiments in the past were carried out in 2D setups and it is not clear how the results of such studies relate to real 3D systems. The aim of this study is to compare development and finger characteristics of unstable infiltration in 2D and 3D setups. We carried out laboratory experiments on fast infiltration in 2D and 3D setups and measured water content in porous media with neutron transmission technology at the NEUTRA beam line at the Paul Scherrer Institute, Switzerland. The 2D experiments were carried out in a glass sandbox (260 mm high, 75 mm wide and 11 mm deep). For the 3D experiments aluminum cylindrical column (150 mm in height and 100 mm in diameter) were used. Both columns were filled homogeneously with coarse quartz sand (grain size 0.7 - 1.2 mm) below fine sand layer (0.1 - 0.3 mm) of 20 - 30 mm thickness. Two dimensional projection images of water content with spatial resolution of 125 microns were deduced from neutron images every 2 second. For the 3D setup water content distribution was reconstructed in 3D to monitor water content inside the fingers over time. Water content and finger-width (15 - 23 mm) were similar for 2D and 3D setups. In both cases water content was maximum when the front passes and was decreasing afterwards (indicating "overshoot" behavior). Also the water content difference between values after

  11. Evaluation of quality of experience in interactive 3D visualization: methodology and results

    NASA Astrophysics Data System (ADS)

    Tourancheau, Sylvain; Sjöström, Mårten; Olsson, Roger; Persson, Anders; Ericson, Thomas

    2012-03-01

    Human factors are of high importance in 3D visualization, but subjective evaluation of 3D displays is not easy because of a high variability among users. This study aimed to evaluate and compare two different 3D visualization systems (a market stereoscopic display, and a state-of-the-art multi-view display) in terms of user performance and quality of experience (QoE), in the context of interactive visualization. An adapted methodology has been designed in order to focus on 3D differences and to reduce the influence of all other factors. Thirty-six subjects took part in an experiment during which they were asked to judge the quality of their experience, according to specific features. Results showed that a scene understanding and precision was significantly better on the multi-view display. Concerning the quality of experience, visual comfort was judged significantly better on the multi-view display and visual fatigue was reported by 52% of the subjects on the stereoscopic display. This study has permitted to identify some factors influencing QoE such as prior experience and stereopsis threshold.

  12. First Experiences with Kinect v2 Sensor for Close Range 3d Modelling

    NASA Astrophysics Data System (ADS)

    Lachat, E.; Macher, H.; Mittet, M.-A.; Landes, T.; Grussenmeyer, P.

    2015-02-01

    RGB-D cameras, also known as range imaging cameras, are a recent generation of sensors. As they are suitable for measuring distances to objects at high frame rate, such sensors are increasingly used for 3D acquisitions, and more generally for applications in robotics or computer vision. This kind of sensors became popular especially since the Kinect v1 (Microsoft) arrived on the market in November 2010. In July 2014, Windows has released a new sensor, the Kinect for Windows v2 sensor, based on another technology as its first device. However, due to its initial development for video games, the quality assessment of this new device for 3D modelling represents a major investigation axis. In this paper first experiences with Kinect v2 sensor are related, and the ability of close range 3D modelling is investigated. For this purpose, error sources on output data as well as a calibration approach are presented.

  13. 3D Data Mapping and Real-Time Experiment Control and Visualization in Brain Slices.

    PubMed

    Navarro, Marco A; Hibbard, Jaime V K; Miller, Michael E; Nivin, Tyler W; Milescu, Lorin S

    2015-10-20

    Here, we propose two basic concepts that can streamline electrophysiology and imaging experiments in brain slices and enhance data collection and analysis. The first idea is to interface the experiment with a software environment that provides a 3D scene viewer in which the experimental rig, the brain slice, and the recorded data are represented to scale. Within the 3D scene viewer, the user can visualize a live image of the sample and 3D renderings of the recording electrodes with real-time position feedback. Furthermore, the user can control the instruments and visualize their status in real time. The second idea is to integrate multiple types of experimental data into a spatial and temporal map of the brain slice. These data may include low-magnification maps of the entire brain slice, for spatial context, or any other type of high-resolution structural and functional image, together with time-resolved electrical and optical signals. The entire data collection can be visualized within the 3D scene viewer. These concepts can be applied to any other type of experiment in which high-resolution data are recorded within a larger sample at different spatial and temporal coordinates. PMID:26488641

  14. 3D Image-Guided Automatic Pipette Positioning for Single Cell Experiments in vivo.

    PubMed

    Long, Brian; Li, Lu; Knoblich, Ulf; Zeng, Hongkui; Peng, Hanchuan

    2015-01-01

    We report a method to facilitate single cell, image-guided experiments including in vivo electrophysiology and electroporation. Our method combines 3D image data acquisition, visualization and on-line image analysis with precise control of physical probes such as electrophysiology microelectrodes in brain tissue in vivo. Adaptive pipette positioning provides a platform for future advances in automated, single cell in vivo experiments. PMID:26689553

  15. 3D Image-Guided Automatic Pipette Positioning for Single Cell Experiments in vivo

    PubMed Central

    Long, Brian; Li, Lu; Knoblich, Ulf; Zeng, Hongkui; Peng, Hanchuan

    2015-01-01

    We report a method to facilitate single cell, image-guided experiments including in vivo electrophysiology and electroporation. Our method combines 3D image data acquisition, visualization and on-line image analysis with precise control of physical probes such as electrophysiology microelectrodes in brain tissue in vivo. Adaptive pipette positioning provides a platform for future advances in automated, single cell in vivo experiments. PMID:26689553

  16. Confirming the 3D Solution Structure of a Short Double-Stranded DNA Sequence Using NMR Spectroscopy

    ERIC Educational Resources Information Center

    Ruhayel, Rasha A.; Berners-Price, Susan J.

    2010-01-01

    2D [superscript 1]H NOESY NMR spectroscopy is routinely used to give information on the closeness of hydrogen atoms through space. This work is based on a 2D [superscript 1]H NOESY NMR spectrum of a 12 base-pair DNA duplex. This 6-h laboratory workshop aims to provide advanced-level chemistry students with a basic, yet solid, understanding of how…

  17. Image processing of radiographs in 3D Rayleigh-Taylor decelerating interface experiments

    NASA Astrophysics Data System (ADS)

    Kuranz, C. C.; Drake, R. P.; Grosskopf, M. J.; Robey, H. F.; Remington, B. A.; Hansen, J. F.; Blue, B. E.; Knauer, J.

    2009-08-01

    This paper discusses high-energy-density laboratory astrophysics experiments exploring the Rayleigh-Taylor instability under conditions similar to the blast wave driven, outermost layer in a core-collapse supernova. The planar blast wave is created in an experimental target using the Omega laser. The blast wave crosses an unstable interface with a seed perturbation machined onto it. The perturbation consists of a 3D “egg crate” pattern and, in some cases, an additional longer wavelength mode is added to this 3D, single-mode pattern. The main diagnostic of this experiment is x-ray radiography. This paper explores an image processing technique to improve the identification and characterization of structure in the radiographic data.

  18. Inexpensive Mie scattering experiment for the classroom manufactured by 3D printing

    NASA Astrophysics Data System (ADS)

    Scholz, Christian; Sack, Achim; Heckel, Michael; Pöschel, Thorsten

    2016-09-01

    Scattering experiments are fundamental for structure analysis of matter on molecular, atomic and sub-atomic length scales. In contrast, it is not standard to demonstrate optical scattering experiments on the undergraduate level beyond simple diffraction gratings. We present an inexpensive Mie scattering setup manufactured with 3D printing and open hardware. The experiment can be used to determine the particle size in dilute monodisperse colloidal suspensions with surprisingly high accuracy and is, thus, suitable to demonstrate relations between scattering measurements and microscopic properties of particles within undergraduate lab course projects.

  19. Validation of Air-Backed Underwater Explosion Experiments with ALE3D

    SciTech Connect

    Leininger, L D

    2005-02-04

    This paper summarizes an exercise carried out to validate the process of implementing LLNL's ALE3D to predict the permanent deformation and rupture of an air-backed steel plate subjected to underwater shock. Experiments were performed in a shock tank at the Naval Science and Technology Laboratory in Visakhapatnam India, and the results are documented in reference. A consistent set of air-backed plates is subjected to shocks from increasing weights of explosives ranging from 10g-80g. At 40g and above, rupture is recorded in the experiment and, without fracture mechanics implemented in ALE3D, only the cases of 10g, 20g, and 30g are presented here. This methodology applies the Jones-Wilkins-Lee (JWL) Equation of State (EOS) to predict the pressure of the expanding detonation products, the Gruneisein EOS for water under highly dynamic compressible flow - both on 1-point integrated 3-d continuum elements. The steel plates apply a bilinear elastic-plastic response with failure and are simulated with 3-point integrated shell elements. The failure for this exercise is based on effective (or equivalent) plastic strain.

  20. Formalizing the potential of stereoscopic 3D user experience in interactive entertainment

    NASA Astrophysics Data System (ADS)

    Schild, Jonas; Masuch, Maic

    2015-03-01

    The use of stereoscopic 3D vision affects how interactive entertainment has to be developed as well as how it is experienced by the audience. The large amount of possibly impacting factors and variety as well as a certain subtlety of measured effects on user experience make it difficult to grasp the overall potential of using S3D vision. In a comprehensive approach, we (a) present a development framework which summarizes possible variables in display technology, content creation and human factors, and (b) list a scheme of S3D user experience effects concerning initial fascination, emotions, performance, and behavior as well as negative feelings of discomfort and complexity. As a major contribution we propose a qualitative formalization which derives dependencies between development factors and user effects. The argumentation is based on several previously published user studies. We further show how to apply this formula to identify possible opportunities and threats in content creation as well as how to pursue future steps for a possible quantification.

  1. Reconstruction of the 3D flow field in a differentially heated rotating annulus laboratory experiment

    NASA Astrophysics Data System (ADS)

    Harlander, U.; Wright, G. B.; Egbers, C.

    2012-04-01

    In the earth's atmosphere baroclinic instability is responsible for the heat and momentum transport from low to high latitudes. In the fifties, Raymond Hide used a rather simple laboratory experiment to study such vortices in the lab. The experiment is comprised by a cooled inner and heated outer cylinder mounted on a rotating platform, which mimics the heated tropical and cooled polar regions of the earth's atmosphere. The experiment shows rich dynamics that have been studied by varying the radial temperature difference and the rate of annulus revolution. At the Brandenburg University of Technology (BTU) Cottbus the differentially heated rotating annulus is a reference experiment of the DFG priority program 'MetStröm'. The 3D structure of the annulus flow field has been numerically simulated but, to our knowledge, has not been measured in the laboratory. In the present paper we use novel interpolation techniques to reconstruct the 3D annulus flow field from synchronous Particle Image Velocimetry (PIV) and Infrared Thermography (IRT) measurements. The PIV system is used to measure the horizontal velocity components at 40, 60, 80, 100, and 120 mm above the bottom. The uppermost level is thus 15 mm below the fluid's surface. The surface temperature is simultaneously measured by an infrared (IR) camera. The PIV and infrared cameras have been mounted above the annulus and they co-rotate with the annulus. From the PIV observations alone a coherent 3D picture of the flow cannot be constructed since the PIV measurements have been taken at different instants of time. Therefore a corresponding IR image has been recorded for each PIV measurement. These IR images can be used to reconstruct the correct phase of the measured velocity fields. Each IR and PIV image for which t>0 is rotated back to the position at t=0. Then all surface waves have the same phase. In contrast, the PIV velocity fields generally have different phases since they have been taken at different vertical

  2. 2D 1H and 3D 1H-15N NMR of zinc-rubredoxins: contributions of the beta-sheet to thermostability.

    PubMed Central

    Richie, K. A.; Teng, Q.; Elkin, C. J.; Kurtz, D. M.

    1996-01-01

    Based on 2D 1H-1H and 2D and 3D 1H-15N NMR spectroscopies, complete 1H NMR assignments are reported for zinc-containing Clostridium pasteurianum rubredoxin (Cp ZnRd). Complete 1H NMR assignments are also reported for a mutated Cp ZnRd, in which residues near the N-terminus, namely, Met 1, Lys 2, and Pro 15, have been changed to their counterparts, (-), Ala and Glu, respectively, in rubredoxin from the hyperthermophilic archaeon, Pyrococcus furiosus (Pf Rd). The secondary structure of both wild-type and mutated Cp ZnRds, as determined by NMR methods, is essentially the same. However, the NMR data indicate an extension of the three-stranded beta-sheet in the mutated Cp ZnRd to include the N-terminal Ala residue and Glu 15, as occurs in Pf Rd. The mutated Cp Rd also shows more intense NOE cross peaks, indicating stronger interactions between the strands of the beta-sheet and, in fact, throughout the mutated Rd. However, these stronger interactions do not lead to any significant increase in thermostability, and both the mutated and wild-type Cp Rds are much less thermostable than Pf Rd. These correlations strongly suggest that, contrary to a previous proposal [Blake PR et al., 1992, Protein Sci 1:1508-1521], the thermostabilization mechanism of Pf Rd is not dominated by a unique set of hydrogen bonds or electrostatic interactions involving the N-terminal strand of the beta-sheet. The NMR results also suggest that an overall tighter protein structure does not necessarily lead to increased thermostability. PMID:8732760

  3. Quantifying fluid distribution and phase connectivity with a simple 3D cubic pore network model constrained by NMR and MICP data

    NASA Astrophysics Data System (ADS)

    Xu, Chicheng; Torres-Verdín, Carlos

    2013-12-01

    A computer algorithm is implemented to construct 3D cubic pore networks that simultaneously honor nuclear magnetic resonance (NMR) and mercury injection capillary pressure (MICP) measurements on core samples. The algorithm uses discretized pore-body size distributions from NMR and pore-throat size versus incremental pore-volume fraction information from MICP as initial inputs. Both pore-throat radius distribution and body-throat correlation are iteratively refined to match percolation-simulated primary drainage capillary pressure with MICP data. It outputs a pore-throat radius distribution which is not directly measurable with either NMR or MICP. In addition, quasi-static fluid distribution and single-phase connectivity are quantified at each capillary pressure stage. NMR measurements on desaturating core samples are simulated from the quantitative fluid distribution in a gas-displacing-water drainage process and are verified with laboratory measurements. We invoke effective medium theory to quantify the single-phase connectivity in two-phase flow by simulating percolation in equivalent sub-pore-networks that consider the remaining fluid phase as solid cementation. Primary drainage relative permeability curves quantified from fluid distribution and phase connectivity show petrophysical consistency after applying a hydrated-water saturation correction. Core measurements of tight-gas sandstone samples from the Cotton Valley formation, East Texas, are used to verify the new algorithm.

  4. Measuring Fracture Properties of Meteorites: 3D Scans and Disruption Experiments.

    NASA Astrophysics Data System (ADS)

    Cotto-Figueroa, Desireé; Asphaug, Erik; Morris, Melissa A.; Garvie, Laurence

    2014-11-01

    The Arizona State University (ASU) Center for Meteorite Studies (CMS) houses over 30,000 specimens that represent almost every known meteorite type. A number of these are available for fragmentation experiments in small samples, but in most cases non-destructive experiments are desired in order to determine the fundamental mechanical properties of meteorites, and by extension, the Near-Earth Asteroids (NEAs) and other planetary bodies they derive from. We present results from an ongoing suite of measurements and experiments, featuring automated 3D topographic scans of a comprehensive suite of meteorites in the CMS collection, basic mechanical studies, and culminating in catastrophic fragmentation of four representative meteorites: Tamdakht (H5), Allende (CV3), Northwest Africa 869 (L3-6) and Chelyabinsk (LL5). Results will include high-resolution 3D color-shape models of meteorites, including specimens such as the 349g oriented and fusion crusted Martian (shergottite) Tissint, and the delicately fusion crusted and oriented 131g Whetstone Mountains (H5) ordinary chondrite. The 3D color-shape models will allow us to obtain basic physical properties (such as volume to derive density) and to derive fractal dimensions of fractured surfaces. Fractal dimension is closely related to the internal structural heterogeneity and fragmentation of the material, to macroscopic optical properties, and to rubble friction and cohesion. Freshly fractured surfaces of fragments that will result from catastrophic hypervelocity impact experiments will be subsequently scanned and analyzed in order to determine whether fractal dimension is preserved or if it changes with surface maturation.

  5. Time-lapse 3D ground-penetrating radar during plot-scale infiltration experiments

    NASA Astrophysics Data System (ADS)

    Allroggen, Niklas; Jackisch, Conrad; Tronicke, Jens

    2016-04-01

    In electrical resistive soils, surface-based ground-penetrating radar (GPR) is known as the geophysical tool providing the highest spatial resolution. Thus, 2D and 3D GPR surveys are commonly used for imaging subsurface structures or estimating soil moisture content. Due to its sensitivity to soil moisture and its non-invasive character, GPR provides a large potential to monitor soil moisture variation at high temporal and spatial resolution. As shown in previous experiments, the acquisition of time-lapse GPR data under field conditions requires a high data quality in terms of repeatability as well as spatial and temporal resolution. We present hydrogeophysical field experiments at the plot scale (1m x 1m), during which we record time-lapse 3D GPR. For GPR data acquisition, we use a pulseEKKO PRO GPR system equipped with a pair of 500 MHz antennas in combination with a specially designed metal-free measuring platform. Additionally, we collect tracer and soil moisture data, which are used to improve the interpretation of the GPR data with special focus on preferential flow paths and their structured advective flow field. After an accurate time-lapse GPR data processing, we compare 3D reflection events before and after infiltration and quantitatively interpret their relative time-shift in terms of soil moisture variations. Thereby, we are able to account for basically all of the infiltrated water. The first experiments demonstrate the general applicability of our experimental approach but are limited by the number of acquired time steps and measurement during the sprinkling period (the time of the highest temporal dynamics) are not possible at all. Based on this experience we redesign our experimental setup to continuously collect GPR data during irrigation and infiltration. Thereby, we strongly increase the temporal resolution of our measurements, improve the interpretability of the GPR data, and monitor the temporal and spatial dynamics of shallow subsurface

  6. Enhancing the coherence of 3D qubits suitable for multi-qubit experiments

    NASA Astrophysics Data System (ADS)

    Abdo, Baleegh; McClure, Douglas; Paik, Hanhee; Sandberg, Martin; Gambetta, Jay; Dial, Oliver

    2015-03-01

    Superconducting qubits coupled to 3D cavities have several advantages over qubits coupled to planar cavities on the same chip, e.g., 1) they can be individually designed, tested, and integrated, 2) they exhibit better microwave hygiene than their 2D counterpart, and 3) they possess higher coherence times, in part because they have reduced participation ratios for surface dielectric layers that can be lossy. However, in order to implement the surface code using a multi-qubit system, 3D qubits and their corresponding microwave cavities have to meet several competing requirements in addition to preserving long coherence, such as large coupling of the 3D qubit to two adjacent microwave resonators, sufficient coupling to other qubits, and large microwave isolation between different cavities. Finding a qubit design that balances all of these requirements has proved challenging so far. In this work, we apply a combination of simulations and experiments to investigate a variety of loss mechanisms that are particularly relevant for multi-qubit systems. Based on this learning, we identify changes in the design and materials of these systems that can lead to enhancement of their coherence times. We acknowledge support from IARPA under Contract W911NF-10-1-0324.

  7. 3D flow past transonic turbine cascade SE 1050 — Experiment and numerical simulations

    NASA Astrophysics Data System (ADS)

    Šimurda, D.; Fürst, J.; Luxa, M.

    2013-08-01

    This paper is concerned with experimental and numerical research on 3D flow past prismatic turbine cascade SE1050 (known in QNET network as open test case SE1050). The primary goal was to assess the influence of the inlet velocity profile on the flow structures in the interblade channel and on the flow field parameters at the cascade exit and to compare these findings to results of numerical simulations. Investigations of 3D flow past the cascade with non-uniform inlet velocity profile were carried out both experimentally and numerically at subsonic ( M 2is = 0.8) and at transonic ( M 2is = 1.2) regime at design angle of incidence. Experimental data was obtained using a traversing device with a five-hole conical probe. Numerically, the 3D flow was simulated by open source code OpenFOAM and in-house code. Analyses of experimental data and CFD simulations have revealed the development of distinctive vortex structures resulting from non-uniform inlet velocity profile. Origin of these structures results in increased loss of kinetic energy and spanwise shift of kinetic energy loss coefficient distribution. Differences found between the subsonic and the transonic case confirm earlier findings available in the literature. Results of CFD and experiments agree reasonably well.

  8. Experiments with Uas Imagery for Automatic Modeling of Power Line 3d Geometry

    NASA Astrophysics Data System (ADS)

    Jóźków, G.; Vander Jagt, B.; Toth, C.

    2015-08-01

    The ideal mapping technology for transmission line inspection is the airborne LiDAR executed from helicopter platforms. It allows for full 3D geometry extraction in highly automated manner. Large scale aerial images can be also used for this purpose, however, automation is possible only for finding transmission line positions (2D geometry), and the sag needs to be estimated manually. For longer lines, these techniques are less expensive than ground surveys, yet they are still expensive. UAS technology has the potential to reduce these costs, especially if using inexpensive platforms with consumer grade cameras. This study investigates the potential of using high resolution UAS imagery for automatic modeling of transmission line 3D geometry. The key point of this experiment was to employ dense matching algorithms to appropriately acquired UAS images to have points created also on wires. This allowed to model the 3D geometry of transmission lines similarly to LiDAR acquired point clouds. Results showed that the transmission line modeling is possible with a high internal accuracy for both, horizontal and vertical directions, even when wires were represented by a partial (sparse) point cloud.

  9. 3D Simulations for a Micron-Scale, Dielectric-Based Acceleration Experiment

    SciTech Connect

    Yoder, R. B.; Travish, G.; Xu Jin; Rosenzweig, J. B.

    2009-01-22

    An experimental program to demonstrate a dielectric, slab-symmetric accelerator structure has been underway for the past two years. These resonant devices are driven by a side-coupled 800-nm laser and can be configured to maintain the field profile necessary for synchronous acceleration and focusing of relativistic or nonrelativistic particles. We present 3D simulations of various versions of the structure geometry, including a metal-walled structure relevant to ongoing cold tests on resonant properties, and an all-dielectric structure to be constructed for a proof-of-principle acceleration experiment.

  10. Complete factorial design experiment for 3D load cell instrumented crank validation.

    PubMed

    Omar, Valle-Casas; Rafael, Dalazen; Vinicius, Cene; Alexandre, Balbinot

    2015-08-01

    Developing of instrumentation systems for sport medicine is a promising area, that's why this research evaluates the design of a new instrumented crank arm prototype for a race bicycle projecting an experiment for indoor - outdoor comparison. This study investigated the viability of an instrumentation 3D load cell for force measurement crank, implementing a design of experiment. A Complete factorial design experiment was developed for data validation, with an Analysis of Variance (ANOVA) throwing significant results for controlled factors with response variables rms, mean and variance. A software routine allowed to obtained system variables metrics for Symmetry and Cadence analysis, which came out from Effective force bilateral comparing and speed computation. Characterization allowed achieving calibration curves that were used for data conversion in force projection channels with a linearity error of 0.29% (perpendicular), 0.55% (parallel) and 0.10% (lateral). Interactions of factors resulted significant mainly for indoor tests in symmetry and cadence was significant in interactions generally for outdoor tests. Implemented system was able to generate Effective Force graph for 3D plot symmetry analysis, torque and power symmetry for specialist's analysis. PMID:26737085

  11. 3-D High-Lift Flow-Physics Experiment - Transition Measurements

    NASA Technical Reports Server (NTRS)

    McGinley, Catherine B.; Jenkins, Luther N.; Watson, Ralph D.; Bertelrud, Arild

    2005-01-01

    An analysis of the flow state on a trapezoidal wing model from the NASA 3-D High Lift Flow Physics Experiment is presented. The objective of the experiment was to characterize the flow over a non-proprietary semi-span three-element high-lift configuration to aid in assessing the state of the art in the computation of three-dimensional high-lift flows. Surface pressures and hot-film sensors are used to determine the flow conditions on the slat, main, and flap. The locations of the attachments lines and the values of the attachment line Reynolds number are estimated based on the model surface pressures. Data from the hot-films are used to determine if the flow is laminar, transitional, or turbulent by examining the hot-film time histories, statistics, and frequency spectra.

  12. 3D Printing in Zero-G Experiment, In Space Manufacturing (LPS, 4)

    NASA Technical Reports Server (NTRS)

    Bean, Quincy; Cooper, Ken; Werkheiser, Niki

    2015-01-01

    The 3D Printing in Zero-G Experiment has been an ongoing effort for several years. In June 2014 the technology demonstration 3D printer was launched to the International Space Station. In November 2014 the first 21 parts were manufactured in orbit marking the beginning of a paradigm shift that will allow astronauts to be more self-sufficient and pave the way to larger scale orbital manufacturing. Prior to launch the 21 parts were built on the ground with the flight unit with the same feedstock. These ground control samples are to be tested alongside the flight samples in order to determine if there is a measurable difference between parts built on the ground vs. parts built in space. As of this writing, testing has not yet commenced. Tests to be performed are structured light scanning for volume and geometric discrepancies, CT scanning for density measurement, destructive testing of mechanical samples, and SEM analysis for inter-laminar adhesion discrepancies. Additionally, an ABS material characterization was performed on mechanical samples built from the same CAD files as the flight and ground samples on different machine / feedstock combinations. The purpose of this testing was twofold: first to obtain mechanical data in order to have a baseline comparison for the flight and ground samples and second to ascertain if there is a measurable difference between machines and feedstock.

  13. 3D reconstruction of carbon nanotube networks from neutron scattering experiments

    NASA Astrophysics Data System (ADS)

    Mahdavi, Mostafa; Baniassadi, Majid; Baghani, Mostafa; Dadmun, Mark; Tehrani, Mehran

    2015-09-01

    Structure reconstruction from statistical descriptors, such as scattering data obtained using x-rays or neutrons, is essential in understanding various properties of nanocomposites. Scattering based reconstruction can provide a realistic model, over various length scales, that can be used for numerical simulations. In this study, 3D reconstruction of a highly loaded carbon nanotube (CNT)-conducting polymer system based on small and ultra-small angle neutron scattering (SANS and USANS, respectively) data was performed. These light-weight and flexible materials have recently shown great promise for high-performance thermoelectric energy conversion, and their further improvement requires a thorough understanding of their structure-property relationships. The first step in achieving such understanding is to generate models that contain the hierarchy of CNT networks over nano and micron scales. The studied system is a single walled carbon nanotube (SWCNT)/poly (3,4-ethylenedioxythiophene):poly (styrene sulfonate) (PEDOT:PSS). SANS and USANS patterns of the different samples containing 10, 30, and 50 wt% SWCNTs were measured. These curves were then utilized to calculate statistical two-point correlation functions of the nanostructure. These functions along with the geometrical information extracted from SANS data and scanning electron microscopy images were used to reconstruct a representative volume element (RVE) nanostructure. Generated RVEs can be used for simulations of various mechanical and physical properties. This work, therefore, introduces a framework for the reconstruction of 3D RVEs of high volume faction nanocomposites containing high aspect ratio fillers from scattering experiments.

  14. Modeling rock specimens through 3D printing: Tentative experiments and prospects

    NASA Astrophysics Data System (ADS)

    Jiang, Quan; Feng, Xiating; Song, Lvbo; Gong, Yahua; Zheng, Hong; Cui, Jie

    2016-02-01

    Current developments in 3D printing (3DP) technology provide the opportunity to produce rock-like specimens and geotechnical models through additive manufacturing, that is, from a file viewed with a computer to a real object. This study investigated the serviceability of 3DP products as substitutes for rock specimens and rock-type materials in experimental analysis of deformation and failure in the laboratory. These experiments were performed on two types of materials as follows: (1) compressive experiments on printed sand-powder specimens in different shapes and structures, including intact cylinders, cylinders with small holes, and cuboids with pre-existing cracks, and (2) compressive and shearing experiments on printed polylactic acid cylinders and molded shearing blocks. These tentative tests for 3DP technology have exposed its advantages in producing complicated specimens with special external forms and internal structures, the mechanical similarity of its product to rock-type material in terms of deformation and failure, and its precision in mapping shapes from the original body to the trial sample (such as a natural rock joint). These experiments and analyses also successfully demonstrate the potential and prospects of 3DP technology to assist in the deformation and failure analysis of rock-type materials, as well as in the simulation of similar material modeling experiments.

  15. Benchmarking NMR experiments: A relational database of protein pulse sequences

    NASA Astrophysics Data System (ADS)

    Senthamarai, Russell R. P.; Kuprov, Ilya; Pervushin, Konstantin

    2010-03-01

    Systematic benchmarking of multi-dimensional protein NMR experiments is a critical prerequisite for optimal allocation of NMR resources for structural analysis of challenging proteins, e.g. large proteins with limited solubility or proteins prone to aggregation. We propose a set of benchmarking parameters for essential protein NMR experiments organized into a lightweight (single XML file) relational database (RDB), which includes all the necessary auxiliaries (waveforms, decoupling sequences, calibration tables, setup algorithms and an RDB management system). The database is interfaced to the Spinach library ( http://spindynamics.org), which enables accurate simulation and benchmarking of NMR experiments on large spin systems. A key feature is the ability to use a single user-specified spin system to simulate the majority of deposited solution state NMR experiments, thus providing the (hitherto unavailable) unified framework for pulse sequence evaluation. This development enables predicting relative sensitivity of deposited implementations of NMR experiments, thus providing a basis for comparison, optimization and, eventually, automation of NMR analysis. The benchmarking is demonstrated with two proteins, of 170 amino acids I domain of αXβ2 Integrin and 440 amino acids NS3 helicase.

  16. Kohn-Sham calculations of NMR shifts for paramagnetic 3d metal complexes: protocols, delocalization error, and the curious amide proton shifts of a high-spin iron(ii) macrocycle complex.

    PubMed

    Martin, Bob; Autschbach, Jochen

    2016-08-01

    A theory for the nuclear chemical shifts of molecules in arbitrary spin states is applied to a set of paramagnetic organometallic complexes of 3d metals. Ligand chemical shifts are calculated and analyzed using Kohn-Sham (KS) density functional theory with and without relativistic corrections. The roles of the KS delocalization error, Gaussian-type versus Slater-type basis sets, relativistic effects (scalar and spin-orbit), and zero field splitting (ZFS) are investigated. A strong functional dependence of the chemical shifts is apparent and correlated with the delocalization error. The functional dependence is between one and two orders of magnitude larger than variations of the NMR shifts due the other influences that are investigated. ZFS effects are negligible in the determination of the NMR chemical shifts of the complexes except at very low temperatures. The DFT calculated shifts agree reasonably well with experiment. A 73 ppm difference in the NMR shifts of the two protons in the amide groups of a high-spin Fe(ii) macrocycle complex arises from selective O → Fe dative bonding that only involves the transfer of β spin density, along with orbital delocalization throughout the ligand bonding framework which electronically couples the coordinating oxygen lone pair orbitals directly to the amide trans proton. PMID:26952694

  17. Slab pull and indentation tectonics: insights from 3D laboratory experiments

    NASA Astrophysics Data System (ADS)

    Regard, Vincent; Faccenna, Claudio; Martinod, Joseph; Bellier, Olivier

    2005-03-01

    We investigate, using 3D laboratory experiments, how the dynamics of indentation process are affected by the evolution at depth of the oceanic and continental subductions. Lithospheric plates are modelled by sand-silicone plates floating on glucose syrup, and the density contrast between oceanic and continental lithospheric plates and asthenosphere is reproduced. Analogue experiments model the convergence between two lithospheric plates, a small continent indenting a large continental plate. We show that the surface deformation in front of the indenter and above the oceanic subduction zone depends on the behaviour of the slab below the collision zone. Slab break-off following the subduction of the small continent favours the indentation process, because it results in an increasing compression in front of the indenter, and extension above the neighbouring oceanic subduction, both of them being responsible for the appearance of the indenter-like geometry of the plate boundary. When the slab does not deform significantly at depth, in contrast, the closure of the oceanic domain in front of the indenter is followed by a longer period of continental subduction, during which the tectonic regime within the wide continent remains quite homogeneous. Comparing the presented analogue experiments with the subductions both part of the Arabian indenter within Eurasia, our results suggest that the different tectonic regime on both sides of the Arabia indenter may partly result from the probable occurrence of a detachment at depth under eastern Anatolia.

  18. Carbon-proton scalar couplings in RNA. 3D heteronuclear and 2D isotope-edited NMR of a [sup 13]C-labeled extra-stable hairpin

    SciTech Connect

    Hines, J.V.; Landry, S.M.; Varani, G.; Tinoco, I. Jr. Lawrence Berkeley Lab., CA )

    1994-06-29

    Long range carbon-proton scalar couplings were measured for an RNA hairpin of 12 nucleotides using 3D and [sup 13]C-edited 2D NMR. The large one-bond carbon-proton scalar couplings ([sup 1]J[sub CH]) and small n-bond couplings ([sup 1]J[sub CH]) produce ECOSY type cross-peaks, thus facilitating the determination of the sign and magnitude of the smaller [sup 2]J[sub CH] or [sup 3]J[sub CH]. The UUCGRNA hairpin (5[prime]-rGGACUUCGGUCC-3[prime]), whose structure has been determined by our laboratory, was uniformly [sup 13]C-labeled at 30% isotopic enrichment. The observed [sup 1]J[sub CH] couplings were then correlated to the known structure. The signs of [sup 2]J[sub C4[prime]H5[prime

  19. Tsunamis generated by 3D deformable landslides in various scenarios: laboratory experiments and numerical modeling

    NASA Astrophysics Data System (ADS)

    McFall, B. C.; Fritz, H. M.; Horrillo, J. J.; Mohammed, F.

    2014-12-01

    and the tsunami model TSUNAMI3D. The prediction of the wave fields and runups by the models were compared and analyzed to improve methodologies and key parameters for landslide rheology. Model errors with respect to the set of experiments were estimated and compared against the allowable errors indicated by the NTHMP.

  20. Experiment for Integrating Dutch 3d Spatial Planning and Bim for Checking Building Permits

    NASA Astrophysics Data System (ADS)

    van Berlo, L.; Dijkmans, T.; Stoter, J.

    2013-09-01

    This paper presents a research project in The Netherlands in which several SMEs collaborated to create a 3D model of the National spatial planning information. This 2D information system described in the IMRO data standard holds implicit 3D information that can be used to generate an explicit 3D model. The project realized a proof of concept to generate a 3D spatial planning model. The team used the model to integrate it with several 3D Building Information Models (BIMs) described in the open data standard Industry Foundation Classes (IFC). Goal of the project was (1) to generate a 3D BIM model from spatial planning information to be used by the architect during the early design phase, and (2) allow 3D checking of building permits. The team used several technologies like CityGML, BIM clash detection and GeoBIM to explore the potential of this innovation. Within the project a showcase was created with a part of the spatial plan from the city of The Hague. Several BIM models were integrated in the 3D spatial plan of this area. A workflow has been described that demonstrates the benefits of collaboration between the spatial domain and the AEC industry in 3D. The research results in a showcase with conclusions and considerations for both national and international practice.

  1. Numerical Calculations of 3-D High-Lift Flows and Comparison with Experiment

    NASA Technical Reports Server (NTRS)

    Compton, William B, III

    2015-01-01

    Solutions were obtained with the Navier-Stokes CFD code TLNS3D to predict the flow about the NASA Trapezoidal Wing, a high-lift wing composed of three elements: the main-wing element, a deployed leading-edge slat, and a deployed trailing-edge flap. Turbulence was modeled by the Spalart-Allmaras one-equation turbulence model. One case with massive separation was repeated using Menter's two-equation SST (Menter's Shear Stress Transport) k-omega turbulence model in an attempt to improve the agreement with experiment. The investigation was conducted at a free stream Mach number of 0.2, and at angles of attack ranging from 10.004 degrees to 34.858 degrees. The Reynolds number based on the mean aerodynamic chord of the wing was 4.3 x 10 (sup 6). Compared to experiment, the numerical procedure predicted the surface pressures very well at angles of attack in the linear range of the lift. However, computed maximum lift was 5% low. Drag was mainly under predicted. The procedure correctly predicted several well-known trends and features of high-lift flows, such as off-body separation. The two turbulence models yielded significantly different solutions for the repeated case.

  2. Modeling, measurement, and 3-D equilibrium reconstruction of the bootstrap current in the Helically Symmetric Experiment

    SciTech Connect

    Schmitt, J. C.; Talmadge, J. N.; Anderson, D. T.; Hanson, J. D.

    2014-09-15

    The bootstrap current for three electron cyclotron resonance heated plasma scenarios in a quasihelically symmetric stellarator (the Helically Symmetric Experiment) are analyzed and compared to a neoclassical transport code PENTA. The three conditions correspond to 50 kW input power with a resonance that is off-axis, 50 kW on-axis heating and 100 kW on-axis heating. When the heating location was moved from off-axis to on-axis with 50 kW heating power, the stored energy and the extrapolated steady-state current were both observed to increase. When the on-axis heating power was increased from 50 kW to 100 kW, the stored energy continued to increase while the bootstrap current slightly decreased. This trend is qualitatively in agreement with the calculations which indicate that a large positive electric field for the 100 kW case was driving the current negative in a small region close to the magnetic axis and accounting for the decrease in the total integrated current. This trend in the calculations is only observed to occur when momentum conservation between particle species is included. Without momentum conservation, the calculated bootstrap current increases monotonically. We show that the magnitude of the bootstrap current as calculated by PENTA agrees better with the experiment when momentum conservation between plasma species is included in the calculation. The total current was observed in all cases to flow in a direction to unwind the transform, unlike in a tokamak in which the bootstrap current adds to the transform. The 3-D inductive response of the plasma is simulated to predict the evolution of the current profile during the discharge. The 3-D equilibrium reconstruction code V3FIT is used to reconstruct profiles of the plasma pressure and current constrained by measurements with a set of magnetic diagnostics. The reconstructed profiles are consistent with the measured plasma pressure profile and the simulated current profile when the

  3. 3D laboratory experiments on a system of low-crested breakwaters under oblique wave attack

    NASA Astrophysics Data System (ADS)

    Papacharalampous, Georgia; Karantinos, Michalis; Giantsi, Theodora; Moutzouris, Constantinos

    2016-04-01

    Low-crested breakwaters are being increasingly used for shore protection. Hydrodynamics around coastal structures are complicated and have not been fully understood. A series of large scale (1:40) 3D laboratory experiments were carried out in the Laboratory of Harbour Works, National Technical University of Athens to investigate the wave disturbance around a system of two non-parallel to the shoreline breakwaters. The structures were of the type of low-crested, permeable and attacked by obliquely incident waves. Three different water depths were tested in the basin with a range of various different spectra. The transmission and reflection coefficients were measured in the middle of each breakwater. For this purpose, 1 gauge and 4 gauges (in line) were placed on the landward and seaward side of each breakwater respectively. The effect of diffraction is incorporate at the measured wave heights. The measured coefficients are being compared to their corresponding estimated using existing empirical formulas. Most of those formulas neglect wave obliquity.

  4. Experiments and parametric studies on 3D metallic auxetic metamaterials with tuneable mechanical properties

    NASA Astrophysics Data System (ADS)

    Ren, Xin; Shen, Jianhu; Ghaedizadeh, Arash; Tian, Hongqi; Xie, Yi Min

    2015-09-01

    Auxetic metamaterials are synthetic materials with microstructures engineered to achieve negative Poisson’s ratios. Auxetic metamaterials are of great interest because of their unusual properties and various potential applications. However, most of the previous research has been focused on auxetic behaviour of elastomers under elastic deformation. Inspired by our recent finding of the loss of auxetic behaviour in metallic auxetic metamaterials, a systematic experimental and numerical investigation has been carried out to explore the mechanism behind this phenomenon. Using an improved methodology of generating buckling-induced auxetic metamaterials, several samples of metallic auxetic metamaterials have been fabricated using a 3D printing technique. The experiments on those samples have revealed the special features of auxetic behaviour for metallic auxetic metamaterials and proved the effectiveness of our structural modification. Parametric studies have been performed through experimentally validated finite element models to explore the auxetic performance of the designed metallic metamaterials. It is found that the auxetic performance can be tuned by the geometry of microstructures, and the strength and stiffness can be tuned by the plasticity of the base material while maintaining the auxetic performance.

  5. The impact of stereo 3D sports TV broadcasts on user's depth perception and spatial presence experience

    NASA Astrophysics Data System (ADS)

    Weigelt, K.; Wiemeyer, J.

    2014-03-01

    This work examines the impact of content and presentation parameters in 2D versus 3D on depth perception and spatial presence, and provides guidelines for stereoscopic content development for 3D sports TV broadcasts and cognate subjects. Under consideration of depth perception and spatial presence experience, a preliminary study with 8 participants (sports: soccer and boxing) and a main study with 31 participants (sports: soccer and BMX-Miniramp) were performed. The dimension (2D vs. 3D) and camera position (near vs. far) were manipulated for soccer and boxing. In addition for soccer, the field of view (small vs. large) was examined. Moreover, the direction of motion (horizontal vs. depth) was considered for BMX-Miniramp. Subjective assessments, behavioural tests and qualitative interviews were implemented. The results confirm a strong effect of 3D on both depth perception and spatial presence experience as well as selective influences of camera distance and field of view. The results can improve understanding of the perception and experience of 3D TV as a medium. Finally, recommendations are derived on how to use various 3D sports ideally as content for TV broadcasts.

  6. ALE3D Simulation and Measurement of Violence in a Fast Cookoff Experiment for LX-10

    SciTech Connect

    McClelland, M A; Maienschein, J L; Howard, W M; deHaven, M R

    2006-05-23

    Fast cookoff is of interest in the areas of fire hazard reduction and the development of directed energy systems for defense. During a fast cookoff (thermal explosion), high heat fluxes cause rapid temperature increases and ignition in thin boundary layers. We are developing ALE3D models to describe the thermal, chemical, and mechanical behavior during the heating, ignition, and explosive phases. The candidate models and numerical strategies are being evaluated using benchmark cookoff experiments. Fast cookoff measurements were made in a Scaled-Thermal-Explosion-eXperiment (STEX) for LX-10 (94.7% HMX, 5.3% Viton A) confined in a 4130 steel tube with reinforced end caps. Gaps were present at the side and top of the explosive charge to allow for thermal expansion. The explosive was heated until explosion using radiant heaters. Temperatures were measured using thermocouples positioned on the tube wall and in the explosive. During the explosion, the tube expansion and fragment velocities were measured with strain gauges, Photonic-Doppler-Velocimeters (PDVs), and micropower radar units. A fragment size distribution was constructed from fragments captured in Lexan panels. ALE3D models for chemical, thermal, and mechanical behavior were developed for the heating and explosive processes. A multi-step chemical kinetics model is employed for the HMX while a one-step model is used for the Viton. A pressure-dependent deflagration model is employed during the expansion. A Steinberg-Guinan model represents the mechanical behavior of the solid constituents while polynomial and gamma-law expressions are used for the equation of state of the solid and gas species, respectively. Parameters for the kinetics model were specified using measurements of the One-Dimensional-Time-to-Explosion (ODTX), while measurements for burn rate were employed to determine parameters in the burn front model. The simulations include radiative and conductive transport across the dynamic gaps between the

  7. 3D conformal MRI-guided transurethral ultrasound therapy: results of gel phantom experiments

    NASA Astrophysics Data System (ADS)

    N'Djin, W. A.; Burtnyk, M.; McCormick, S.; Bronskill, M.; Chopra, R.

    2011-09-01

    MRI-guided transurethral ultrasound therapy shows promise for minimally invasive treatment of localized prostate cancer. Previous in-vivo studies demonstrated the feasibility of performing conservative treatments using real-time temperature feedback to control accurately the establishment of coagulative lesions within circumscribed prostate regions. This in-vitro study tested device configuration and control options for achieving full prostate treatments. A multi-channel MRI compatible ultrasound therapy system was evaluated in gel phantoms using 3 canine prostate models. Prostate profiles were 5 mm-step-segmented from T2-weighted MR images performed during previous in-vivo experiments. During ultrasound exposures, each ultrasound element was controlled independently by the 3D controller. Decisions on acoustic power, frequency, and device rotation rate were made in real time based on MR thermometry feedback and prostate radii. Low and high power treatment approaches using maximum acoustic powers of 10 or 20 W.cm-2 were tested as well as single and dual-frequency strategies (4.05/13.10 MHz). The dual-frequency strategy used either the fundamental frequency or the 3rd harmonic component, depending on the prostate radius. The 20 W.cm-2 dual frequency approach was the most efficient configuration in achieving full prostate treatments. Treatment times were about half the duration of those performed with 10 W.cm-2 configurations. Full prostate coagulations were performed in 16.3±6.1 min at a rate of 1.8±0.2 cm3.min-1, and resulted in very little undertreated tissue (<3%). Surrounding organs positioned beyond a safety distance of 1.4±1.0 mm from prostate boundaries were not damaged, particularly rectal wall tissues. In this study, a 3D, MR-thermometry-guided transurethral ultrasound therapy was validated in vitro in a tissue-mimicking phantom for performing full prostate treatment. A dual-frequency configuration with 20 W.cm-2 ultrasound intensity exposure showed good

  8. 3-D seakeeping analysis with water on deck and slamming. Part 2: Experiments and physical investigation

    NASA Astrophysics Data System (ADS)

    Greco, M.; Bouscasse, B.; Lugni, C.

    2012-08-01

    A synergic 3-D experimental and numerical investigation is conducted for wave-ship interactions involving the water-on-deck and slamming phenomena. The adopted solver has been developed in Greco and Lugni (in press) and combines (A) a weakly nonlinear external solution for the wave-vessel interactions with (B) a 2-D in-deck shallow-water approximation, which describes water shipping events, and (C) a local analytical analysis of the bottom-slamming phenomenon. This solver can handle regular and irregular sea states and vessels at rest or with limited speed. The experiments examine a patrol ship at rest or with forward speed that is free to oscillate in heave and pitch in regular and irregular waves. In this study, the head-sea regular-wave conditions are examined in terms of (1) response amplitude operators (RAOs) and relative motions, (2) occurrence, features and loads of water-on-deck, bottom-slamming and flare-slamming events and (3) added resistance in waves. A systematic and comprehensive analysis of the phenomena is made available in terms of the Froude number, incoming wavelength-to-ship length ratio and wave steepness for the examined ship geometry. The main parameters that affect the global and local quantities are identified and possible danger in terms of water-on-deck severity and structural consequences are determined. Different slamming behaviors were identified, depending on the spatial location of the impact on the vessel: single-peak, church-roof and double-peak behaviors. A bottom-slamming criterion, using the Ochi's (1964) velocity condition and the Greco and Lugni's (2012) pressure condition, is assessed. A statistical analysis of more than 100 events is needed for the bottom-slamming pressure peaks. The numerical solver is promising. The major discrepancies with the experiments are discussed, and the importance of viscous hull damping and flare impact for the most violent conditions is emphasized. Inclusion of these effects improved the

  9. Why did Arabia separate from Africa? Insights from 3-D laboratory experiments

    NASA Astrophysics Data System (ADS)

    Bellahsen, N.; Faccenna, C.; Funiciello, F.; Daniel, J. M.; Jolivet, L.

    2003-11-01

    We have performed 3-D scaled lithospheric experiments to investigate the role of the gravitational force exerted by a subducting slab on the deformation of the subducting plate itself. Experiments have been constructed using a dense silicone putty plate, to simulate a thin viscous lithosphere, floating in the middle of a large box filled with glucose syrup, simulating the upper mantle. We examine three different plate configurations: (i) subduction of a uniform oceanic plate, (ii) subduction of an oceanic-continental plate system and, (iii) subduction of a more complex oceanic-continental system simulating the asymmetric Africa-Eurasia system. Each model has been performed with and without the presence of a circular weak zone inside the subducting plate to test the near-surface weakening effect of a plume activity. Our results show that a subducting plate can deform in its interior only if the force distribution varies laterally along the subduction zone, i.e. by the asymmetrical entrance of continental material along the trench. In particular, extensional deformation of the plate occurs when a portion of the subduction zone is locked by the collisional process. The results of this study can be used to analyze the formation of the Arabian plate. We found that intraplate stresses, similar to those that generated the Africa-Arabia break-up, can be related to the Neogene evolution of the northern convergent margin of the African plate, where a lateral change from collision (Mediterranean and Bitlis) to active subduction (Makran) has been described. Second, intraplate stress and strain localization are favored by the presence of a weakness zone, such as the one generated by the Afar plume, producing a pattern of extensional deformation belts resembling the Red Sea-Gulf of Aden rift system.

  10. Can 3D-CT angiography (3D-CTA) replace conventional catheter angiography in ruptured aneurysm surgery? Our experience with 162 cases.

    PubMed

    Matsumoto, Masato; Kasuya, Hiromichi; Sato, Taku; Endo, Yuji; Sakuma, Jun; Suzuki, Kyouichi; Sasaki, Tatsuya; Kodama, Namio

    2007-12-01

    In this communication, we studied whether 3D-CT angiography (3D CTA) gives us enough information for a safe operation without those from conventional catheter angiography (CCA) in patients with ruptured aneurysms. Between December 1996 and September 2005, we treated 162 consecutive patients with ruptured aneurysms in the acute stage based on 3D-CTA findings. One hundred sixty-two ruptured aneurysms, including 64 associated unruptured aneurysms, were detected using 3D-CTA. CCA was performed in nine (5.6%) of the 162 patients after 3D-CTA. They were four dissecting vertebral artery aneurysms, two basilar tip aneurysms, one basilar artery-superior cerebellar artery (BA-SCA), one previously clipped BA-SCA and one internal carotid-posterior communicating artery aneurysm. All ruptured aneurysms confirmed at surgery were treated successfully. The lack of information on CCA did not lead any neurological deficits or difficulties in the surgical procedure. 3D-CTA was of high diagnostic value compatible with CCA and yielded important information such as the configuration of the aneurysmal sac and neck, calcification in the aneurysmal wall, and the aneurysms' anatomic relation with adjacent vessels and bone structures. We suggest that 3D-CTA can replace CCA in the diagnosis of ruptured aneurysms and that most of ruptured aneurysms can be operated by using only 3D-CTA without CCA. PMID:18402288

  11. Triple Resonance Solid State NMR Experiments with Reduced Dimensionality Evolution Periods

    NASA Astrophysics Data System (ADS)

    Astrof, Nathan S.; Lyon, Charles E.; Griffin, Robert G.

    2001-10-01

    Two solid state NMR triple resonance experiments which utilize the simultaneous incrementation of two chemical shift evolution periods to obtain a spectrum with reduced dimensionality are described. The CON CA experiment establishes the correlation of 13Ci-1 to 13Cαi and 15Ni by simultaneously encoding the 13COi-1 and 15Ni chemical shifts. The CAN COCA experiment establishes the correlation 13Cai and 15COi to 13Cαi-1 and 15Ni-1 within a single experiment by simultaneous encoding of the 13Cαi and 15Ni chemical shifts. This experiment establishes sequential amino acid correlations in close analogy to the solution state HNCA experiment. Reduced dimensionality 2D experiments are a practical alternative to recording multiple 3D data sets for the purpose of obtaining sequence-specific resonance assignments of peptides and proteins in the solid state.

  12. Mobile 3D quality of experience evaluation: a hybrid data collection and analysis approach

    NASA Astrophysics Data System (ADS)

    Utriainen, Timo; Häyrynen, Jyrki; Jumisko-Pyykkö, Satu; Boev, Atanas; Gotchev, Atanas; Hannuksela, Miska M.

    2011-02-01

    The paper presents a hybrid approach to study the user's experienced quality of 3D visual content on mobile autostereoscopic displays. It combines extensive subjective tests with collection and objective analysis of eye-tracked data. 3D cues which are significant for mobiles are simulated in the generated 3D test content. The methodology for conducting subjective quality evaluation includes hybrid data-collection of quantitative quality preferences, qualitative impressions, and binocular eye-tracking. We present early results of the subjective tests along with eye movement reaction times, areas of interest and heatmaps obtained from raw eye-tracked data after statistical analysis. The study contributes to the question what is important to be visualized on portable auto-stereoscopic displays and how to maintain and visually enhance the quality of 3D content for such displays.

  13. A quality assessment of 3D video analysis for full scale rockfall experiments

    NASA Astrophysics Data System (ADS)

    Volkwein, A.; Glover, J.; Bourrier, F.; Gerber, W.

    2012-04-01

    Main goal of full scale rockfall experiments is to retrieve a 3D trajectory of a boulder along the slope. Such trajectories then can be used to calibrate rockfall simulation models. This contribution presents the application of video analysis techniques capturing rock fall velocity of some free fall full scale rockfall experiments along a rock face with an inclination of about 50 degrees. Different scaling methodologies have been evaluated. They mainly differ in the way the scaling factors between the movie frames and the reality and are determined. For this purpose some scale bars and targets with known dimensions have been distributed in advance along the slope. The single scaling approaches are briefly described as follows: (i) Image raster is scaled to the distant fixed scale bar then recalibrated to the plane of the passing rock boulder by taking the measured position of the nearest impact as the distance to the camera. The distance between the camera, scale bar, and passing boulder are surveyed. (ii) The image raster was scaled using the four nearest targets (identified using frontal video) from the trajectory to be analyzed. The average of the scaling factors was finally taken as scaling factor. (iii) The image raster was scaled using the four nearest targets from the trajectory to be analyzed. The scaling factor for one trajectory was calculated by balancing the mean scaling factors associated with the two nearest and the two farthest targets in relation to their mean distance to the analyzed trajectory. (iv) Same as previous method but with varying scaling factors during along the trajectory. It has shown that a direct measure of the scaling target and nearest impact zone is the most accurate. If constant plane is assumed it doesn't account for the lateral deviations of the rock boulder from the fall line consequently adding error into the analysis. Thus a combination of scaling methods (i) and (iv) are considered to give the best results. For best results

  14. Instrument Control and Data Acquisition for NMR Experiments

    1999-03-29

    This is a software program which is intended to do some instrument control and data acquisition for NMR experiments. The basic purpose of the program is to allow a user of the NMR system to create a list of instructions which tells the program what steps should be done, the stat the data taking program and let the system run by itself (depending on the type of sample and the type of experiment being run,more » it can take from several minutes to many hours to do a data collection run).« less

  15. A unified 3D default space consciousness model combining neurological and physiological processes that underlie conscious experience

    PubMed Central

    Jerath, Ravinder; Crawford, Molly W.; Barnes, Vernon A.

    2015-01-01

    The Global Workspace Theory and Information Integration Theory are two of the most currently accepted consciousness models; however, these models do not address many aspects of conscious experience. We compare these models to our previously proposed consciousness model in which the thalamus fills-in processed sensory information from corticothalamic feedback loops within a proposed 3D default space, resulting in the recreation of the internal and external worlds within the mind. This 3D default space is composed of all cells of the body, which communicate via gap junctions and electrical potentials to create this unified space. We use 3D illustrations to explain how both visual and non-visual sensory information may be filled-in within this dynamic space, creating a unified seamless conscious experience. This neural sensory memory space is likely generated by baseline neural oscillatory activity from the default mode network, other salient networks, brainstem, and reticular activating system. PMID:26379573

  16. Comparison of Computational Aeroacoustics Prediction of Acoustic Transmission Through a 3D Stator With Experiment

    NASA Technical Reports Server (NTRS)

    Hixon, Ray; Envia, Edmane; Dahl, Milo; Sutliff, Daniel L.

    2014-01-01

    In this paper, numerical predictions of acoustic transmission through a 3D stator obtained using the NASA BASS code are compared with experimentally measured data. The influence of vane count and stagger as well as frequency and mode order on the transmission loss is investigated. The data-theory comparisons indicate that BASS can predict all the important trends observed in the experimental data.

  17. Comparison of Computational Aeroacoustics Prediction of Acoustic Transmission Through a 3D Stator with Experiment

    NASA Technical Reports Server (NTRS)

    Hixon, Ray; Envia, Edmane; Dahl, Milo; Sutliff, Daniel

    2014-01-01

    In this paper, numerical predictions of acoustic transmission through a 3D stator obtained using the NASA BASS code are compared with experimentally measured data. The influence of vane count and stagger as well as frequency and mode order on the transmission loss is investigated. The data-theory comparisons indicate that BASS can predict all the important trends observed in the experimental data.

  18. High-resolution 3D imaging laser radar flight test experiments

    NASA Astrophysics Data System (ADS)

    Marino, Richard M.; Davis, W. R.; Rich, G. C.; McLaughlin, J. L.; Lee, E. I.; Stanley, B. M.; Burnside, J. W.; Rowe, G. S.; Hatch, R. E.; Square, T. E.; Skelly, L. J.; O'Brien, M.; Vasile, A.; Heinrichs, R. M.

    2005-05-01

    Situation awareness and accurate Target Identification (TID) are critical requirements for successful battle management. Ground vehicles can be detected, tracked, and in some cases imaged using airborne or space-borne microwave radar. Obscurants such as camouflage net and/or tree canopy foliage can degrade the performance of such radars. Foliage can be penetrated with long wavelength microwave radar, but generally at the expense of imaging resolution. The goals of the DARPA Jigsaw program include the development and demonstration of high-resolution 3-D imaging laser radar (ladar) ensor technology and systems that can be used from airborne platforms to image and identify military ground vehicles that may be hiding under camouflage or foliage such as tree canopy. With DARPA support, MIT Lincoln Laboratory has developed a rugged and compact 3-D imaging ladar system that has successfully demonstrated the feasibility and utility of this application. The sensor system has been integrated into a UH-1 helicopter for winter and summer flight campaigns. The sensor operates day or night and produces high-resolution 3-D spatial images using short laser pulses and a focal plane array of Geiger-mode avalanche photo-diode (APD) detectors with independent digital time-of-flight counting circuits at each pixel. The sensor technology includes Lincoln Laboratory developments of the microchip laser and novel focal plane arrays. The microchip laser is a passively Q-switched solid-state frequency-doubled Nd:YAG laser transmitting short laser pulses (300 ps FWHM) at 16 kilohertz pulse rate and at 532 nm wavelength. The single photon detection efficiency has been measured to be > 20 % using these 32x32 Silicon Geiger-mode APDs at room temperature. The APD saturates while providing a gain of typically > 106. The pulse out of the detector is used to stop a 500 MHz digital clock register integrated within the focal-plane array at each pixel. Using the detector in this binary response mode

  19. Diborane Electrode Response in 3D Silicon Sensors for the CMS and ATLAS Experiments

    SciTech Connect

    Brown, Emily R.; /Reed Coll. /SLAC

    2011-06-22

    Unusually high leakage currents have been measured in test wafers produced by the manufacturer SINTEF containing 3D pixel silicon sensor chips designed for the ATLAS (A Toroidal LHC ApparatuS) and CMS (Compact Muon Solenoid) experiments. Previous data has shown the CMS chips as having a lower leakage current after processing than ATLAS chips. Some theories behind the cause of the leakage currents include the dicing process and the usage of copper in bump bonding, and with differences in packaging and handling between the ATLAS and CMS chips causing the disparity between the two. Data taken at SLAC from a SINTEF wafer with electrodes doped with diborane and filled with polysilicon, before dicing, and with indium bumps added contradicts this past data, as ATLAS chips showed a lower leakage current than CMS chips. It also argues against copper in bump bonding and the dicing process as main causes of leakage current as neither were involved on this wafer. However, they still display an extremely high leakage current, with the source mostly unknown. The SINTEF wafer shows completely different behavior than the others, as the FEI3s actually performed better than the CMS chips. Therefore this data argues against the differences in packaging and handling or the intrinsic geometry of the two as a cause in the disparity between the leakage currents of the chips. Even though the leakage current in the FEI3s overall is lower, the current is still significant enough to cause problems. As this wafer was not diced, nor had it any copper added for bump bonding, this data argues against the dicing and bump bonding as causes for leakage current. To compliment this information, more data will be taken on the efficiency of the individual electrodes of the ATLAS and CMS chips on this wafer. The electrodes will be shot perpendicularly with a laser to test the efficiency across the width of the electrode. A mask with pinholes has been made to focus the laser to a beam smaller than the

  20. Cation Hydration Constants by Proton NMR: A Physical Chemistry Experiment.

    ERIC Educational Resources Information Center

    Smith, Robert L.; And Others

    1988-01-01

    Studies the polarization effect on water by cations and anions. Describes an experiment to illustrate the polarization effect of sodium, lithium, calcium, and strontium ions on the water molecule in the hydration spheres of the ions. Analysis is performed by proton NMR. (MVL)

  1. Utility of multimaterial 3D printers in creating models with pathological entities to enhance the training experience of neurosurgeons.

    PubMed

    Waran, Vicknes; Narayanan, Vairavan; Karuppiah, Ravindran; Owen, Sarah L F; Aziz, Tipu

    2014-02-01

    The advent of multimaterial 3D printers allows the creation of neurosurgical models of a more realistic nature, mimicking real tissues. The authors used the latest generation of 3D printer to create a model, with an inbuilt pathological entity, of varying consistency and density. Using this model the authors were able to take trainees through the basic steps, from navigation and planning of skin flap to performing initial steps in a craniotomy and simple tumor excision. As the technology advances, models of this nature may be able to supplement the training of neurosurgeons in a simulated operating theater environment, thus improving the training experience. PMID:24321044

  2. Comparison of a 3-D CFD-DSMC Solution Methodology With a Wind Tunnel Experiment

    NASA Technical Reports Server (NTRS)

    Glass, Christopher E.; Horvath, Thomas J.

    2002-01-01

    A solution method for problems that contain both continuum and rarefied flow regions is presented. The methodology is applied to flow about the 3-D Mars Sample Return Orbiter (MSRO) that has a highly compressed forebody flow, a shear layer where the flow separates from a forebody lip, and a low density wake. Because blunt body flow fields contain such disparate regions, employing a single numerical technique to solve the entire 3-D flow field is often impractical, or the technique does not apply. Direct simulation Monte Carlo (DSMC) could be employed to solve the entire flow field; however, the technique requires inordinate computational resources for continuum and near-continuum regions, and is best suited for the wake region. Computational fluid dynamics (CFD) will solve the high-density forebody flow, but continuum assumptions do not apply in the rarefied wake region. The CFD-DSMC approach presented herein may be a suitable way to obtain a higher fidelity solution.

  3. 3D silicon pixel detectors for the ATLAS Forward Physics experiment

    NASA Astrophysics Data System (ADS)

    Lange, J.; Cavallaro, E.; Grinstein, S.; López Paz, I.

    2015-03-01

    The ATLAS Forward Physics (AFP) project plans to install 3D silicon pixel detectors about 210 m away from the interaction point and very close to the beamline (2-3 mm). This implies the need of slim edges of about 100-200 μm width for the sensor side facing the beam to minimise the dead area. Another challenge is an expected non-uniform irradiation of the pixel sensors. It is studied if these requirements can be met using slightly-modified FE-I4 3D pixel sensors from the ATLAS Insertable B-Layer production. AFP-compatible slim edges are obtained with a simple diamond-saw cut. Electrical characterisations and beam tests are carried out and no detrimental impact on the leakage current and hit efficiency is observed. For devices without a 3D guard ring a remaining insensitive edge of less than 15 μm width is found. Moreover, 3D detectors are non-uniformly irradiated up to fluences of several 1015 neq/cm2 with either a focussed 23 GeV proton beam or a 23 MeV proton beam through holes in Al masks. The efficiency in the irradiated region is found to be similar to the one in the non-irradiated region and exceeds 97% in case of favourable chip-parameter settings. Only in a narrow transition area at the edge of the hole in the Al mask, a significantly lower efficiency is seen. A follow-up study of this effect using arrays of small pad diodes for position-resolved dosimetry via the leakage current is carried out.

  4. A 3-D Force and Moment Motor for Small-Scale Biomechanics Experiments

    PubMed Central

    Sim, Jae Hoon; Puria, Sunil

    2010-01-01

    The inability to identify 3-D force and moment components for actuators and sensors is a major limiting factor in the study of 3-D force interactions with small-scale biological structures. While recent advances have been made in the measurement of stimulating forces using load cells and atomic-force microscopy in experimental preparations of biological structures such as mammalian temporal bones, these techniques have mostly been limited to one or two dimensions. In this paper, a method is described for stimulating biological structures using a small magnet (2 mg Sm2Co17) and a nearby current-conducting coil (46 gauge, 50 turns), that allows the 3-D Lorentz forces and moments acting on the magnet to be calculated. To make these calculations possible, the dimensions and placements of the magnet and coil are accurately determined (within 10 μm for in vitro preparations) using high-resolution micro-CT imaging. This noncontact force motor method has been used to study the mechanics of the malleus-incus complex in the mammalian middle ear in addition to basilar membrane mechanics and fluid flow inside the cochlea, and it can also be applied to the study of other biomechanical structures. PMID:20234800

  5. In-Cell Protein Structures from 2D NMR Experiments.

    PubMed

    Müntener, Thomas; Häussinger, Daniel; Selenko, Philipp; Theillet, Francois-Xavier

    2016-07-21

    In-cell NMR spectroscopy provides atomic resolution insights into the structural properties of proteins in cells, but it is rarely used to solve entire protein structures de novo. Here, we introduce a paramagnetic lanthanide-tag to simultaneously measure protein pseudocontact shifts (PCSs) and residual dipolar couplings (RDCs) to be used as input for structure calculation routines within the Rosetta program. We employ this approach to determine the structure of the protein G B1 domain (GB1) in intact Xenopus laevis oocytes from a single set of 2D in-cell NMR experiments. Specifically, we derive well-defined GB1 ensembles from low concentration in-cell NMR samples (∼50 μM) measured at moderate magnetic field strengths (600 MHz), thus offering an easily accessible alternative for determining intracellular protein structures. PMID:27379949

  6. Parameterization experiments performed via synthetic mass movements prototypes generated by 3D slope stability simulator

    NASA Astrophysics Data System (ADS)

    Colangelo, Antonio C.

    2010-05-01

    each cell in synthetic slope systems performed by relief unity emulator. The central methodological strategy is to locate the potential rupture surfaces (prs), main material discontinuities, like soil-regolith or regolith-rock transitions. Inner these "prs", we would to outline the effective potential rupture surfaces (eprs). This surface is a sub-set of the "prs" that presents safety factor less than unity (f<1), the sub-region in the "prs" equal or deeper than critical depths. When the effective potential rupture surface acquires significant extension with respect the thickness of critical depth and retaining walls, the "slope stability simulator" generates a synthetic mass movement. The overlay material will slide until that a new equilibrium be attained at residual shear strength. These devices generate graphic 3D cinematic sequences of experiments in synthetic slope systems and numerical results about physical and morphological data about scars and deposits. Thus, we have a detailed geotechnical, morphological, topographic and morphometric description of these mass movements prototypes, for deal with effective mass movements found in the real environments.

  7. ALE3D Simulation of Heating and Violence in a Fast Cookoff Experiment with LX-10

    SciTech Connect

    McClelland, M A; Maienschein, J L; Howard, W M; Nichols, A L; deHaven, M R; Strand, O T

    2006-06-26

    We performed a computational and experimental analysis of fast cookoff of LX-10 (94.7% HMX, 5.3% Viton A) confined in a 2 kbar steel tube with reinforced end caps. A Scaled-Thermal-Explosion-eXperiment (STEX) was completed in which three radiant heaters were used to heat the vessel until ignition, resulting in a moderately violent explosion after 20.4 minutes. Thermocouple measurements showed tube temperatures as high as 340 C at ignition and LX-10 surface temperatures as high as 279 C, which is near the melting point of HMX. Three micro-power radar systems were used to measure mean fragment velocities of 840 m/s. Photonics Doppler Velocimeters (PDVs) showed a rapid acceleration of fragments over 80 {micro}s. A one-dimensional ALE3D cookoff model at the vessel midplane was used to simulate the heating, thermal expansion, LX-10 decomposition composition, and closing of the gap between the HE (High Explosive) and vessel wall. Although the ALE3D simulation terminated before ignition, the model provided a good representation of heat transfer through the case and across the dynamic gap to the explosive.

  8. ALE3D Simulation and Measurement of Violence in a Fast Cookoff Experiment with LX-10

    SciTech Connect

    McClelland, M A; Maienschein, J L; Howard, W M; deHaven, M R

    2006-11-22

    We performed a computational and experimental analysis of fast cookoff of LX-10 (94.7% HMX, 5.3% Viton A) confined in a 2 kbar steel tube with reinforced end caps. A Scaled-Thermal-Explosion-eXperiment (STEX) was completed in which three radiant heaters were used to heat the vessel until ignition, resulting in a moderately violent explosion after 20.4 minutes. Thermocouple measurements showed tube temperatures as high as 340 C at ignition and LX-10 surface temperatures as high as 279 C, which is near the melting point of HMX. Three micro-power radar systems were used to measure mean fragment velocities of 840 m/s. Photonics Doppler Velocimeters (PDVs) showed a rapid acceleration of fragments over 80 {micro}s. A one-dimensional ALE3D cookoff model at the vessel midplane was used to simulate the heating, thermal expansion, LX-10 decomposition composition, and closing of the gap between the HE (High Explosive) and vessel wall. Although the ALE3D simulation terminated before ignition, the model provided a good representation of heat transfer through the case and across the dynamic gap to the explosive.

  9. Additive manufacture (3d printing) of plasma diagnostic components and assemblies for fusion experiments

    NASA Astrophysics Data System (ADS)

    Sieck, Paul; Woodruff, Simon; Stuber, James; Romero-Talamas, Carlos; Rivera, William; You, Setthivoine; Card, Alexander

    2015-11-01

    Additive manufacturing (or 3D printing) is now becoming sufficiently accurate with a large range of materials for use in printing sensors needed universally in fusion energy research. Decreasing production cost and significantly lowering design time of energy subsystems would realize significant cost reduction for standard diagnostics commonly obtained through research grants. There is now a well-established set of plasma diagnostics, but these expensive since they are often highly complex and require customization, sometimes pace the project. Additive manufacturing (3D printing) is developing rapidly, including open source designs. Basic components can be printed for (in some cases) less than 1/100th costs of conventional manufacturing. We have examined the impact that AM can have on plasma diagnostic cost by taking 15 separate diagnostics through an engineering design using Conventional Manufacturing (CM) techniques to determine costs of components and labor costs associated with getting the diagnostic to work as intended. With that information in hand, we set about optimizing the design to exploit the benefits of AM. Work performed under DOE Contract DE-SC0011858.

  10. Using Interactive 3D PDF for Exploring Complex Biomedical Data: Experiences and Solutions.

    PubMed

    Newe, Axel; Becker, Linda

    2016-01-01

    The Portable Document Format (PDF) is the most commonly used file format for the exchange of electronic documents. A lesser-known feature of PDF is the possibility to embed three-dimensional models and to display these models interactively with a qualified reader. This technology is well suited to present, to explore and to communicate complex biomedical data. This applies in particular for data which would suffer from a loss of information if it was reduced to a static two-dimensional projection. In this article, we present applications of 3D PDF for selected scholarly and clinical use cases in the biomedical domain. Furthermore, we present a sophisticated tool for the generation of respective PDF documents. PMID:27577484

  11. Optoacoustic 3D whole-body tomography: experiments in nude mice

    NASA Astrophysics Data System (ADS)

    Brecht, Hans-Peter; Su, Richard; Fronheiser, Matt; Ermilov, Sergey A.; Conjusteau, André; Liopo, Anton; Motamedi, Massoud; Oraevsky, Alexander A.

    2009-02-01

    We developed a 3D whole-body optoacoustic tomography system for applications in preclinical research on mice. The system is capable of generating images with resolution better than 0.6 mm. Two pulsed lasers, an Alexandrite laser operating at 755 nm and a Nd:YAG laser operating at 532 nm and 1064nm were used for light delivery. The tomographic images were obtained while the objects of study (phantoms or mice) were rotated within a sphere outlined by a concave arc-shaped array of 64 piezo-composite transducers. During the scan, the mouse was illuminated orthogonally to the array with two wide beams of light from a bifurcated fiber bundle. Illumination at 532 nm showed superficial vasculature, but limited penetration depth at this wavelength prevented the detection of deeper structures. Illumination at 755 and 1064 nm showed organs and blood vessels, respectively. Filtering of the optoacoustic signals using high frequency enhancing wavelets further emphasized the smaller blood vessels.

  12. NanTroSEIZE in 3-D: Creating a Virtual Research Experience in Undergraduate Geoscience Courses

    NASA Astrophysics Data System (ADS)

    Reed, D. L.; Bangs, N. L.; Moore, G. F.; Tobin, H.

    2009-12-01

    Marine research programs, both large and small, have increasingly added a web-based component to facilitate outreach to K-12 and the public, in general. These efforts have included, among other activities, information-rich websites, ship-to-shore communication with scientists during expeditions, blogs at sea, clips on YouTube, and information about daily shipboard activities. Our objective was to leverage a portion of the vast collection of data acquired through the NSF-MARGINS program to create a learning tool with a long lifespan for use in undergraduate geoscience courses. We have developed a web-based virtual expedition, NanTroSEIZE in 3-D, based on a seismic survey associated with the NanTroSEIZE program of NSF-MARGINS and IODP to study the properties of the plate boundary fault system in the upper limit of the seismogenic zone off Japan. The virtual voyage can be used in undergraduate classes at anytime, since it is not directly tied to the finite duration of a specific seagoing project. The website combines text, graphics, audio and video to place learning in an experiential framework as students participate on the expedition and carry out research. Students learn about the scientific background of the program, especially the critical role of international collaboration, and meet the chief scientists before joining the sea-going expedition. Students are presented with the principles of 3-D seismic imaging, data processing and interpretation while mapping and identifying the active faults that were the likely sources of devastating earthquakes and tsunamis in Japan in 1944 and 1948. They also learn about IODP drilling that began in 2007 and will extend through much of the next decade. The website is being tested in undergraduate classes in fall 2009 and will be distributed through the NSF-MARGINS website (http://www.nsf-margins.org/) and the MARGINS Mini-lesson section of the Science Education Resource Center (SERC) (http

  13. 3D and Education

    NASA Astrophysics Data System (ADS)

    Meulien Ohlmann, Odile

    2013-02-01

    Today the industry offers a chain of 3D products. Learning to "read" and to "create in 3D" becomes an issue of education of primary importance. 25 years professional experience in France, the United States and Germany, Odile Meulien set up a personal method of initiation to 3D creation that entails the spatial/temporal experience of the holographic visual. She will present some different tools and techniques used for this learning, their advantages and disadvantages, programs and issues of educational policies, constraints and expectations related to the development of new techniques for 3D imaging. Although the creation of display holograms is very much reduced compared to the creation of the 90ies, the holographic concept is spreading in all scientific, social, and artistic activities of our present time. She will also raise many questions: What means 3D? Is it communication? Is it perception? How the seeing and none seeing is interferes? What else has to be taken in consideration to communicate in 3D? How to handle the non visible relations of moving objects with subjects? Does this transform our model of exchange with others? What kind of interaction this has with our everyday life? Then come more practical questions: How to learn creating 3D visualization, to learn 3D grammar, 3D language, 3D thinking? What for? At what level? In which matter? for whom?

  14. 3D spherical microtissues and microfluidic technology for multi-tissue experiments and analysis.

    PubMed

    Kim, Jin-Young; Fluri, David A; Marchan, Rosemarie; Boonen, Kurt; Mohanty, Soumyaranjan; Singh, Prateek; Hammad, Seddik; Landuyt, Bart; Hengstler, Jan G; Kelm, Jens M; Hierlemann, Andreas; Frey, Olivier

    2015-07-10

    Rational development of more physiologic in vitro models includes the design of robust and flexible 3D-microtissue-based multi-tissue devices, which allow for tissue-tissue interactions. The developed device consists of multiple microchambers interconnected by microchannels. Pre-formed spherical microtissues are loaded into the microchambers and cultured under continuous perfusion. Gravity-driven flow is generated from on-chip reservoirs through automated chip-tilting without any need for additional tubing and external pumps. This tilting concept allows for operating up to 48 devices in parallel in order to test various drug concentrations with a sufficient number of replicates. For a proof of concept, rat liver and colorectal tumor microtissues were interconnected on the chip and cultured during 8 days in the presence of the pro-drug cyclophosphamide. Cyclophosphamide has a significant impact on tumor growth but only after bio-activation by the liver. This effect was only observed in the perfused and interconnected co-cultures of different microtissue types on-chip, whereas the discontinuous transfer of supernatant via pipetting from static liver microtissues that have been treated with cyclophosphamide did not significantly affect tumor growth. The results indicate the utility and multi-tissue functionality of this platform. The importance of continuous medium circulation and tissue interaction is highlighted. PMID:25592049

  15. Sulfur in the early martian atmosphere revisited: Experiments with a 3-D Global Climate Model

    NASA Astrophysics Data System (ADS)

    Kerber, Laura; Forget, François; Wordsworth, Robin

    2015-11-01

    Volcanic SO2 in the martian atmosphere has been invoked as a way to create a sustained or transient greenhouse during early martian history. Many modeling studies have been performed to test the feasibility of this hypothesis, resulting in a range of conclusions, from highly feasible to highly improbable. In this study we perform a wide range of simulations using the 3-D Laboratoire de Météorologie Dynamique Generic Global Climate Model (GCM) in order to place earlier results into context and to explore the sensitivity of model outcomes to parameters such as SO2 mixing ratio, atmospheric H2O content, background atmospheric pressure, and aerosol size, abundance, and composition. We conclude that SO2 is incapable of creating a sustained greenhouse on early Mars, and that even in the absence of aerosols, local and daily temperatures rise above 273 K for only for limited periods with favorable background CO2 pressures. In the presence of even small amounts of aerosols, the surface is dramatically cooled for realistic aerosol sizes. Brief, mildly warm conditions require the co-occurrence of many improbable factors, while cooling is achieved for a wide range of model parameters. Instead of causing warming, sulfur in the martian atmosphere may have caused substantial cooling, leading to the end of clement climate conditions on early Mars.

  16. 3D Printed Scintillators For Use in Field Emission Detection and Other Nuclear Physics Experiments

    NASA Astrophysics Data System (ADS)

    Ficenec, Karen

    2015-10-01

    In accelerator cavities, field emission electrons - electrons that get stripped away from the cavity walls due to the high electromagnetic field necessary to accelerate the main beam - are partially accelerated and can crash into the cavity walls, adding to the heat-load of the cryogenic system. Because these field electrons emit gamma rays when bent by the electromagnetic field, a scintillator, if made to fit the cavity enclosure, can detect their presence. Eliminating the waste of subtractive manufacturing techniques and allowing for the production of unique, varied shapes, 3D printing of scintillators may allow for an efficient detection system. UV light is used to start a chemical polymerization process that links the monomers of the liquid resin together into larger, intertwined molecules, forming the solid structure. Each shape requires slightly different calibration of its optimal printing parameters, such as slice thickness and exposure time to UV light. Thus far, calibration parameters have been optimized for cylinders of 20 mm diameter, cones of 30 mm diameter and 30 mm height, rectangular prisms 30 by 40 by 10 mm, and square pyramids 20 mm across. Calibration continues on creating holes in the prints (for optical fibers), as well as shapes with overhangs. Scintill This work was supported in part by the National Science Foundation under Grant No. PHY-1405857.

  17. 3D MHD simulations of the HIT-SI spheromak experiment

    NASA Astrophysics Data System (ADS)

    Izzo, V. A.

    2004-11-01

    The HIT-SI spheromak, which is driven by steady inductive helicity injection (SIHI), consists of the toroidally symmetric spheromak confinement region and two non-symmetric helicity injectors. Each injector resembles a 180^o segment of an RFP in which the flux and current are oscillated. The two injectors are mounted on opposite ends of the spheromak and are situated 90^o apart spatially and operated 90^o out of phase temporally, giving constant helicity injection. The 3D MHD code NIMROD is used to simulate HIT-SI operation, but the code's toroidally symmetric boundary requires a creative treatment of the injectors. Initially, the injectors are neglected completely and a hollow current profile equilibrium is allowed to decay in the spheromak region for several Lundquist numbers (S). For S around 600 or larger, relaxation will flatten the current profile during decay, briefly increasing the total plasma current, whereas at lower S resistive dissipation dominates [1]. Sustained HIT-SI operation is simulated with non-axisymmetric boundary conditions. In driven simulations at low S, no axisymmetric fields are generated as a result of relaxation of the predominantly n=1 injector fields until the injectors are quickly shut off and the fields are forced to reconnect. At S=500, an n=0 component arises due to relaxation during sustainment. As S is increased further, the ratio of n=0 (equilibrium) fields to n=1 (injector) fields increases, and a scaling is determined. The HIT-SI device is designed to have no currents penetrating the walls, and this is ensured by a 0.3mm insulating ceramic layer on the interior of the copper flux conserver. This is modeled in the simulation with a highly resistive 1mm layer at the edge of the grid. Significantly faster plasma decay times are seen with the thin layer than for comparable simulations with no layer. The result can be explained in terms of helicity balance argument like that used by Jarboe and Alper [2] to explain RFP loop

  18. Magma Mixing Chronometry: Quantitative 3D Tomographic Analysis of Biotite Breakdown in Heating Experiments

    NASA Astrophysics Data System (ADS)

    Grocke, S. B.; Andrews, B. J.; Manga, M.; Quinn, E. T.

    2015-12-01

    Dacite lavas from Chaos Crags, Lassen Volcanic Center, CA contain inclusions of more mafic magmas, suggesting that mixing or mingling of magmas occurred just prior to lava dome extrusion, and perhaps triggered the eruption. The timescales between the mixing event and eruption are unknown, but reaction rims on biotite grains hosted in the Chaos Crags dacite may provide a record of the timescale (i.e., chronometer) between mixing and eruption. To quantify the effect of pre-eruptive heating on the formation of reaction rims on biotite, we conducted isobaric (150 MPa), H2O-saturated, heating experiments on the dacite end-member. In heating experiments, we held the natural dacite at 800°C and 150MPa for 96 hours and then isobarically heated the experiments to 825 and 850°C (temperatures above the biotite liquidus, <815°C at 150MPa) for durations ≤96 hours. We analyzed run products using high-resolution SEM imaging and synchrotron-based X-ray tomography, which provides a 3-dimensional rendering of biotite breakdown reaction products and textures. X-ray tomography images of experimental run products reveal that in all heating experiments, biotite breakdown occurs and reaction products include orthopyroxenes, Fe-Ti oxides, and vapor (inferred from presence of bubbles). Experiments heated to 850°C for 96 h show extensive breakdown, consisting of large orthopyroxene crystals, Fe-Ti oxide laths (<100μm), and bubbles. When the process of biotite breakdown goes to completion, the resulting H2O bubble comprises roughly the equivalent volume of the original biotite crystal. This observation suggests that biotite breakdown can add significant water to the melt and lead to extensive bubble formation. Although bubble expansion and magma flow may disrupt the reaction products in some magmas, our experiments suggest that biotite breakdown textures in natural samples can be used as a chronometer for pre-eruptive magma mixing.

  19. Experience affects the use of ego-motion signals during 3D shape perception

    PubMed Central

    Jain, Anshul; Backus, Benjamin T.

    2011-01-01

    Experience has long-term effects on perceptual appearance (Q. Haijiang, J. A. Saunders, R. W. Stone, & B. T. Backus, 2006). We asked whether experience affects the appearance of structure-from-motion stimuli when the optic flow is caused by observer ego-motion. Optic flow is an ambiguous depth cue: a rotating object and its oppositely rotating, depth-inverted dual generate similar flow. However, the visual system exploits ego-motion signals to prefer the percept of an object that is stationary over one that rotates (M. Wexler, F. Panerai, I. Lamouret, & J. Droulez, 2001). We replicated this finding and asked whether this preference for stationarity, the “stationarity prior,” is modulated by experience. During training, two groups of observers were exposed to objects with identical flow, but that were either stationary or moving as determined by other cues. The training caused identical test stimuli to be seen preferentially as stationary or moving by the two groups, respectively. We then asked whether different priors can exist independently at different locations in the visual field. Observers were trained to see objects either as stationary or as moving at two different locations. Observers’ stationarity bias at the two respective locations was modulated in the directions consistent with training. Thus, the utilization of extraretinal ego-motion signals for disambiguating optic flow signals can be updated as the result of experience, consistent with the updating of a Bayesian prior for stationarity. PMID:21191132

  20. Effect of 3D Polarization profiles on polarization measurements and colliding beam experiments

    SciTech Connect

    Fischer, W.; Bazilevsky, A.

    2011-08-18

    The development of polarization profiles are the primary reason for the loss of average polarization. Polarization profiles have been parametrized with a Gaussian distribution. We derive the effect of 3-dimensional polarization profiles on the measured polarization in polarimeters, as well as the observed polarization and the figure of merit in single and double spin experiments. Examples from RHIC are provided. The Relativistic Heavy Ion Collider (RHIC) is the only collider of spin polarized protons. During beam acceleration and storage profiles of the polarization P develop, which affect the polarization measured in a polarimeter, and the polarization and figure of merit (FOM) in colliding beam experiments. We calculate these for profiles in all dimensions, and give examples for RHIC. Like in RHIC we call the two colliding beams Blue and Yellow. We use the overbar to designate intensity-weighted averages in polarimeters (e.g. {bar P}), and angle brackets to designate luminosity-weighted averages in colliding beam experiments (e.g.

    ).

  1. Brief communication: Impact of mesh resolution for MISMIP and MISMIP3d experiments using Elmer/Ice

    NASA Astrophysics Data System (ADS)

    Gagliardini, O.; Brondex, J.; Gillet-Chaulet, F.; Tavard, L.; Peyaud, V.; Durand, G.

    2016-02-01

    The dynamical contribution of marine ice sheets to sea level rise is largely controlled by grounding line (GL) dynamics. Two marine ice sheet model intercomparison exercises, namely MISMIP and MISMIP3d, have been proposed to the community to test and compare the ability of models to capture the GL dynamics. Both exercises are known to present a discontinuity of the friction at the GL, which is believed to increase the model sensitivity to mesh resolution. Here, using Elmer/Ice, the only Stokes model which completed both intercomparisons, the sensitivity to the mesh resolution is studied from an extended MISMIP experiment in which the friction continuously decreases over a transition distance and equals zero at the GL. Using this MISMIP-like setup, it is shown that the sensitivity to the mesh resolution is not improved for a vanishing friction at the GL. For the original MISMIP experiment, i.e. for a discontinuous friction at the GL, we further show that the results are moreover very sensitive to the way the friction is interpolated in the close vicinity of the GL. In the light of these new insights, and thanks to increased computing resources, new results for the MISMIP3d experiments obtained for higher resolutions than previously published are made available for future comparisons as the Supplement.

  2. A High-Resolution 3D Separated-Local-Field Experiment by Means of Magic-Angle Turning

    PubMed

    Hu; Alderman; Pugmire; Grant

    1997-05-01

    A 3D separated-local-field (SLF) experiment based on the 2D PHORMAT technique is described. In the 3D experiment, the conventional 2D SLF powder pattern for each chemically inequivalent carbon is separated according to their different isotropic chemical shifts. The dipolar coupling constant of a C-H pair, hence the bond distance, and the relative orientation of the chemical-shift tensor to the C-H vector can all be determined for the protonated carbons with a single measurement. As the sample turns at only about 30 Hz in a MAT experiment, the SLF patterns obtained approach those of a stationary sample, and an accuracy in the measurement similar to that obtained on a stationary sample is expected. The technique is demonstrated on 2,6-dimethoxynaphthalene, where the 13 C-1 H separated-local-field powder patterns for the six chemically inequivalent carbons are clearly identified and measured. The observed dipolar coupling for the methoxy carbon is effectively reduced by the fast rotation of the group about its C3 symmetry axis. The average angle between the C-H bond direction and the C3 rotation axis in the OCH3 group is found to be about 66°. PMID:9252281

  3. Sulfur in the Early Martian Atmosphere Revisited: Experiments with a 3-D Global Climate Model

    NASA Astrophysics Data System (ADS)

    Kerber, L.; Forget, F.; Wordsworth, R.

    2013-09-01

    [8]. A successful working model for the early Martian atmosphere and hydrosphere must be able not only to produce conditions suitable for liquid water at the surface, but also to explain how the nature of this aqueous activity changed over time and eventually diminished. There are two major end-member hypotheses: first, that early Mars was wet and warm, with a sustained greenhouse that made it possible for liquid water to be stable on the surface for extended periods [e.g., 2, 12-14], and second, that early Mars was generally cold, and that most of the aqueous alteration took place underground [3,5] or during transient warm periods tied to impact cratering [15], or volcanism [16]. In both of these scenarios it is generally agreed that in order to make valley networks and sulfate deposits, a hydrological cycle is needed which is able to recycle water from the lowlands back to the highlands (i.e., the one-time emptying of a regional aquifer would not be sufficient to create the observed features) [4,17]. This would require some precipitation to fall on the southern highlands, either flowing overland or filtering into groundwater aquifers. In both cases, volcanic gases (especially SO2) have been suggested as a possible way of creating either a sustained or transient greenhouse. Several researchers have tested the addition of SO2 to climate models in order to assess whether it would provide an adequate amount of greenhouse warming to allow liquid water to flow across the surface [18-21], with differing results. Postawko and Kuhn [18] found a warming effect of 14 K in a 0.1 bar atmosphere with an SO2 abundance of 1000 ppm. Johnson et al. [20] used a 3-D global circulation model and found a warming of 15-25 K for 245 ppm of SO2 in a dry 0.5 bar atmosphere. Tian et al. [21] used a 1-D model to explore a wide range of SO2 mixing values and CO2 partial pressures, finding a warming of around ~25 K for 100 ppm in a 0.5 bar atmosphere with a fully saturated troposphere (~40 K

  4. Lab Experiments Probe Interactions Between Dilute Pyroclastic Density Currents and 3D Barriers

    NASA Astrophysics Data System (ADS)

    Fauria, K.; Andrews, B. J.; Manga, M.

    2014-12-01

    We conducted scaled laboratory experiments of unconfined dilute pyroclastic density currents (PDCs) to examine interactions between three - dimensional obstacles and dilute PDCs. While it is known that PDCs can surmount barriers by converting kinetic energy into potential energy, the signature of topography on PDC dynamics is unclear. To examine the interplay between PDCs and topography, we turbulently suspended heated and ambient-temperature 20 μm talc powder in air within an 8.5 x 6.1 x 2.6 m tank. Experimental parameters (Froude number, densimetric and thermal Richardson number, particle Stokes and Settling numbers) were scaled such that the experimental currents were dynamically similar to natural PCS. The Reynolds number, however, is much smaller than in natural currents, but still large enough for the flows to be turbulent. We placed cylindrical and ridge-like objects in the path of the currents, illuminated the currents with orthogonal laser sheets, and recorded each experiment with high definition cameras. We observed currents surmounting ridge-like barriers (barrier height = current height). Slanted ridges redirected the currents upward and parallel to the upstream face of the ridges (~45° from horizontal). Down stream of the slanted ridges, ambient-temperature currents reattached to the floor. By comparison, hot currents reversed buoyancy and lifted off. These observations suggest that obstacles enhance air entrainment, a process key to affecting runout distance and the depletion of fine particles in ignimbrites. Moreover, we observed vortex shedding in the wake of cylinders. Our experiments demonstrate that barriers of various shapes affect PDC dynamics and can shorten PDC runout distances. Understanding the effects of topography on PDCs is required for interpreting many deposits because processes such as vortex shedding and topographically-induced changes in turbulent length scales and entrainment likely leave depositional signatures.

  5. High-Resolution NMR Probe for Experiments at High Pressures

    NASA Astrophysics Data System (ADS)

    Ballard, L.; Reiner, C.; Jonas, J.

    A 300 MHz high-resolution, high-pressure NMR probe which operates in the pressure range of 1 bar to 9 kbar at temperatures of -30 to 100°C is described. Specialized novel design features of the probe are discussed and test spectra showing resolution better than 1 Hz (<3.0 × 10 -9) for 8 mm samples are presented. Potential biochemical applications of this probe are illustrated by experiments dealing with the pressure-induced unfolding of hen egg white lysozyme.

  6. A smart homecage system with 3D tracking for long-term behavioral experiments.

    PubMed

    Byunghun Lee; Kiani, Mehdi; Ghovanloo, Maysam

    2014-01-01

    A wirelessly-powered homecage system, called the EnerCage-HC, that is equipped with multi-coil wireless power transfer, closed-loop power control, optical behavioral tracking, and a graphic user interface (GUI) is presented for long-term electrophysiology experiments. The EnerCage-HC system can wirelessly power a mobile unit attached to a small animal subject and also track its behavior in real-time as it is housed inside a standard homecage. The EnerCage-HC system is equipped with one central and four overlapping slanted wire-wound coils (WWCs) with optimal geometries to form 3-and 4-coil power transmission links while operating at 13.56 MHz. Utilizing multi-coil links increases the power transfer efficiency (PTE) compared to conventional 2-coil links and also reduces the number of power amplifiers (PAs) to only one, which significantly reduces the system complexity, cost, and dissipated heat. A Microsoft Kinect installed 90 cm above the homecage localizes the animal position and orientation with 1.6 cm accuracy. An in vivo experiment was conducted on a freely behaving rat by continuously delivering 24 mW to the mobile unit for > 7 hours inside a standard homecage. PMID:25570379

  7. A Smart Homecage System with 3D Tracking for Long-Term Behavioral Experiments

    PubMed Central

    Lee, Byunghun; Kiani, Mehdi; Ghovanloo, Maysam

    2015-01-01

    A wirelessly-powered homecage system, called the EnerCage-HC, that is equipped with multi-coil wireless power transfer, closed-loop power control, optical behavioral tracking, and a graphic user interface (GUI) is presented for long-term electrophysiology experiments. The EnerCage-HC system can wirelessly power a mobile unit attached to a small animal subject and also track its behavior in real-time as it is housed inside a standard homecage. The EnerCage-HC system is equipped with one central and four overlapping slanted wire-wound coils (WWCs) with optimal geometries to form 3- and 4-coil power transmission links while operating at 13.56 MHz. Utilizing multi-coil links increases the power transfer efficiency (PTE) compared to conventional 2-coil links and also reduces the number of power amplifiers (PAs) to only one, which significantly reduces the system complexity, cost, and dissipated heat. A Microsoft Kinect installed 90 cm above the homecage localizes the animal position and orientation with 1.6 cm accuracy. An in vivo experiment was conducted on a freely behaving rat by continuously delivering 24 mW to the mobile unit for > 7 hours inside a standard homecage. PMID:25570379

  8. Simulation of the 3-D Evolution of Electron Scale Magnetic Reconnection - Motivated by Laboratory Experiments Predictions for MMS

    NASA Astrophysics Data System (ADS)

    Buechner, J.; Jain, N.; Sharma, A.

    2013-12-01

    The four s/c of the Magnetospheric Multiscale (MMS) mission, to be launched in 2014, will use the Earth's magnetosphere as a laboratory to study the microphysics of three fundamental plasma processes. One of them is magnetic reconnection, an essentially multi-scale process. While laboratory experiments and past theoretical investigations have shown that important processes necessary to understand magnetic reconnection take place at electron scales the MMS mission for the first time will be able to resolve these scales by in space observations. For the measurement strategy of MMS it is important to make specific predictions of the behavior of current sheets with a thickness of the order of the electron skin depth which play an important role in the evolution of collisionless magnetic reconnection. Since these processes are highly nonlinear and non-local numerical simulation is needed to specify the current sheet evolution. Here we present new results about the nonlinear evolution of electron-scale current sheets starting from the linear stage and using 3-D electron-magnetohydrodynamic (EMHD) simulations. The growth rates of the simulated instabilities compared well with the growth rates obtained from linear theory. Mechanisms and conditions of the formation of flux ropes and of current filamentation will be discussed in comparison with the results of fully kinetic simulations. In 3D the X- and O-point configurations of the magnetic field formed in reconnection planes alternate along the out-of-reconnection-plane direction with the wavelength of the unstable mode. In the presence of multiple reconnection sites, the out-of-plane magnetic field can develop nested structure of quadrupoles in reconnection planes, similar to the 2-D case, but now with variations in the out-of-plane direction. The structures of the electron flow and magnetic field in 3-D simulations will be compared with those in 2-D simulations to discriminate the essentially 3D features. We also discuss

  9. Experimental Investigation of Terminal Fans Prograding on a Salt Substrate: 3-d Physical Experiments

    NASA Astrophysics Data System (ADS)

    Chatmas, E.; Kim, W.

    2015-12-01

    Interactions between geologic features and a mobile substrate layer are present in several passive margin locations throughout the world. Deformation of a substrate layer is primarily due to differential loading of sediment and results in complexities within the morphology and subsequently the stratigraphic record. By using simplified scaled tank experiments, we investigated the relationship between substrate deformation and fan evolution in a fluvial-dump-wind-redistribution setting. In this system, sediment is being eroded from a mountain range and creating terminal fans; fluvial channels form off of the fan body and the deposited fluvial sediment is the source for an aeolian dune field. Several past experimental studies have focused on how deltas and dunes are affected on when deposited on a salt substrate, however terminal fans and channel formation off of fans have not been thoroughly investigated. The current experiments focused on which variables are the most significant in controlling fan growth, channel initiation and channel behavior on the salt substrate. Our experimental basin is 120 cm long, 60 cm wide and 30 cm tall. The materials used for a suite of five experiments involved a polymer polydimethylsiloxane (PDMS) as the deformable substrate analog and 100-μm quartz sand. By isolating certain variables such as substrate thickness, basin slope and sediment discharge we are able to see how terminal fans and channels are affected in different settings. The experimental results show that 1) increase in substrate thickness increased the amount of subsidence around the fan body, limiting sediment transport to channels off of the toe of the fan, 2) a higher basin slope increased the number of channels formed and increased sinuosity and width variations of channels over distance, and 3) a higher sediment discharge rate on a thin substrate allowed for the farthest downstream fan deposits. Preliminary results show that channel behavior and fan morphology is

  10. Robust, integrated computational control of NMR experiments to achieve optimal assignment by ADAPT-NMR.

    PubMed

    Bahrami, Arash; Tonelli, Marco; Sahu, Sarata C; Singarapu, Kiran K; Eghbalnia, Hamid R; Markley, John L

    2012-01-01

    ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) represents a groundbreaking prototype for automated protein structure determination by nuclear magnetic resonance (NMR) spectroscopy. With a [(13)C,(15)N]-labeled protein sample loaded into the NMR spectrometer, ADAPT-NMR delivers complete backbone resonance assignments and secondary structure in an optimal fashion without human intervention. ADAPT-NMR achieves this by implementing a strategy in which the goal of optimal assignment in each step determines the subsequent step by analyzing the current sum of available data. ADAPT-NMR is the first iterative and fully automated approach designed specifically for the optimal assignment of proteins with fast data collection as a byproduct of this goal. ADAPT-NMR evaluates the current spectral information, and uses a goal-directed objective function to select the optimal next data collection step(s) and then directs the NMR spectrometer to collect the selected data set. ADAPT-NMR extracts peak positions from the newly collected data and uses this information in updating the analysis resonance assignments and secondary structure. The goal-directed objective function then defines the next data collection step. The procedure continues until the collected data support comprehensive peak identification, resonance assignments at the desired level of completeness, and protein secondary structure. We present test cases in which ADAPT-NMR achieved results in two days or less that would have taken two months or more by manual approaches. PMID:22427982

  11. Residual methyl protonation in perdeuterated proteins for multi-dimensional correlation experiments in MAS solid-state NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Agarwal, Vipin; Reif, Bernd

    2008-09-01

    NMR studies involving perdeuterated proteins focus in general on exchangeable amide protons. However, non-exchangeable sites contain as well a small amount of protons as the employed precursors for protein biosynthesis are not completely proton depleted. The degree of methyl group protonation is in the order of 9% for CD 2H using >97% deuterium enriched glucose. We show in this manuscript that this small amount of residual protonation is sufficient to perform 2D and 3D MAS solid-state NMR experiments. In particular, we suggest a HCCH-TOBSY type experiment which we successfully employ to assign the methyl resonances in aliphatic side chains in a perdeuterated sample of the SH3 domain of chicken α-spectrin.

  12. 3-D transient eddy current calculations for the FELIX cylinder experiments

    SciTech Connect

    Davey, K.R.; Turner, L.R.

    1986-12-01

    The three-dimensional eddy current transient field problem is formulated first using the U-V method. This method breaks the vector Helmholtz equation into two scalar Helmholtz equations. Null field integral equations and the appropriate boundary conditions are used to set up an identification matrix which is independent of null field point locations. Embedded in the identification matrix are the unknown eigenvalues of the problem representing its impulse response in time. These eigenvalues are found by equating the determinant of the identification matrix to zero. When this initial forcing function is Fourier decomposed into its spatial harmonics, each Fourier component can be associated with a unique eigenvalue by this technique. The true transient solution comes through a convolution of the impulse response so obtained with the particular external field decay governing the problem at hand. The technique is applied to the FELIX cylinder experiments; computed results are compared to data. A pseudoanalytic confirmation of the eigenvalues so obtained is formulated to validate the procedure.

  13. Lithosphere continental rifting and necking in 3D analogue experiments: role of plate divergence rate.

    NASA Astrophysics Data System (ADS)

    Nestola, Y.; Storti, F.; Cavozzi, C.

    2014-12-01

    The evolution of lithosphere necking is a fundamental parameter controlling the structural architecture and thermal state of rifted margins. Despite a large number of analogue and numerical modelling studies on lithosphere extension are available in the literature, a quantitative experimental description of lithosphere necking evolution is still lacking. Extensional strain rate and thermal layering of the lithosphere exert a fundamental control on necking shape and evolution. We focused our experimental work on the former parameter and simulated the progression of lithosphere thinning and necking during asymmetric orthogonal rifting at different plate divergence rates. Our models involve a 4-layer mechanical continental lithosphere, which rests on a glucose syrup asthenosphere. Both the topography and the base of the lithosphere were monitored by time-lapse laser scanning. This technical approach allowed us to quantify the evolution in space and time of the thinning factors for the crust, mantle, and lithosphere as a whole. Laser-scanning monitoring provided also a detailed picture of the evolving neck shape, which shows a strong dependency on the strain-rate. At low strain-rates, necking is "boxed" with steep flanks and a flat-lying roof, and few deep basins develop at surface. At high strain-rates, more distributed thinning occurs and isolates portions of less deformed mantle. More distributed deformation affects the model topography. Despite large differences in shape, the aspect ratio (amplitude/wavelength) of the cross-sectional neck shapes converges towards very similar values at the end of the experiments.The significant differences and evolutionary pathways produced by the plate divergence rate on the lithosphere necking profile, suggest that this parameter exert a fundamental control on localization vs. distribution of deformation in the crust as in the whole mechanical lithosphere. Furthermore, it can exert a fundamental control on the time and space

  14. Along-axis transition between narrow and wide rifts: Insights from 3D numerical experiments

    NASA Astrophysics Data System (ADS)

    Koptev, Alexander; Calais, Eric; Burov, Evgueni; Leroy, Sylvie; Gerya, Taras

    2016-04-01

    Tanzanian craton, with account for geological and geodynamic settings of this region. The models focus on the eastern branch of the EARS. Our experiments indicate that small initial asymmetric emplacement of the plume leads to strongly asymmetric system, with a development of large rift zone along the eastern side of the craton right above the plume head deflected by craton keel, with a lot of magmatic material arriving to the surface. Produced surface strain distribution is in good agreement with one observed along eastern branch of the EARS: narrow high strain zone above bulk of plume material (Kenya Rift) passes into wide distributed deformations within northern (northern Kenya, Turkana Rift) and southern (Tanzania divergence, Masai block) areas. It is noteworthy that this alteration of the rift width along the eastern branch is a natural result of the spatial variation of the lithospheric geotherm associated with mantle plume impingement. It means that in our models narrowing within the central part of the rift zone does not require an artificial predefined weakening between the craton and the embedding lithosphere. Consequently, observed in eastern branch of the EARS along-axis transition between narrow and wide rifts is not mandatory related to inherited structures such as rheologically weakened suture zones to east of Tanzanian craton.

  15. Spin Liquid State in the 3D Frustrated Antiferromagnet PbCuTe_{2}O_{6}: NMR and Muon Spin Relaxation Studies.

    PubMed

    Khuntia, P; Bert, F; Mendels, P; Koteswararao, B; Mahajan, A V; Baenitz, M; Chou, F C; Baines, C; Amato, A; Furukawa, Y

    2016-03-11

    PbCuTe_{2}O_{6} is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu^{2+} ions although additional interactions enhance the magnetic lattice connectivity. Through a combination of magnetization measurements and local probe investigations by NMR and muon spin relaxation down to 20 mK, we provide robust evidence for the absence of magnetic freezing in the ground state. The local spin susceptibility probed by the NMR shift hardly deviates from the macroscopic one down to 1 K pointing to a homogeneous magnetic system with a low defect concentration. The saturation of the NMR shift and the sublinear power law temperature (T) evolution of the 1/T_{1} NMR relaxation rate at low T point to a nonsinglet ground state favoring a gapless fermionic description of the magnetic excitations. Below 1 K a pronounced slowing down of the spin dynamics is witnessed, which may signal a reconstruction of spinon Fermi surface. Nonetheless, the compound remains in a fluctuating spin liquid state down to the lowest temperature of the present investigation. PMID:27015508

  16. Spin liquid state in the 3D frustrated antiferromagnet PbCuTe2O6: NMR and muon spin relaxation studies

    DOE PAGESBeta

    Khuntia, P.; Bert, F.; Mendels, P.; Koteswararao, B.; Mahajan, A. V.; Baenitz, M.; Chou, F. C.; Baines, C.; Amato, A.; Furukawa, Y.

    2016-03-11

    In this study, PbCuTe2O6 is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu2+ ions although additional interactions enhance the magnetic lattice connectivity. Through a combination of magnetization measurements and local probe investigations by NMR and muon spin relaxation down to 20 mK, we provide robust evidence for the absence of magnetic freezing in the ground state. The local spin susceptibility probed by the NMR shift hardly deviates from the macroscopic one down to 1 K pointing to a homogeneousmore » magnetic system with a low defect concentration. The saturation of the NMR shift and the sublinear power law temperature (T) evolution of the 1/T1 NMR relaxation rate at low T point to a nonsinglet ground state favoring a gapless fermionic description of the magnetic excitations. Below 1 K a pronounced slowing down of the spin dynamics is witnessed, which may signal a reconstruction of spinon Fermi surface. Nonetheless, the compound remains in a fluctuating spin liquid state down to the lowest temperature of the present investigation.« less

  17. Spin Liquid State in the 3D Frustrated Antiferromagnet PbCuTe2 O6 : NMR and Muon Spin Relaxation Studies

    NASA Astrophysics Data System (ADS)

    Khuntia, P.; Bert, F.; Mendels, P.; Koteswararao, B.; Mahajan, A. V.; Baenitz, M.; Chou, F. C.; Baines, C.; Amato, A.; Furukawa, Y.

    2016-03-01

    PbCuTe2O6 is a rare example of a spin liquid candidate featuring a three-dimensional magnetic lattice. Strong geometric frustration arises from the dominant antiferromagnetic interaction that generates a hyperkagome network of Cu2 + ions although additional interactions enhance the magnetic lattice connectivity. Through a combination of magnetization measurements and local probe investigations by NMR and muon spin relaxation down to 20 mK, we provide robust evidence for the absence of magnetic freezing in the ground state. The local spin susceptibility probed by the NMR shift hardly deviates from the macroscopic one down to 1 K pointing to a homogeneous magnetic system with a low defect concentration. The saturation of the NMR shift and the sublinear power law temperature (T ) evolution of the 1 /T1 NMR relaxation rate at low T point to a nonsinglet ground state favoring a gapless fermionic description of the magnetic excitations. Below 1 K a pronounced slowing down of the spin dynamics is witnessed, which may signal a reconstruction of spinon Fermi surface. Nonetheless, the compound remains in a fluctuating spin liquid state down to the lowest temperature of the present investigation.

  18. Jointly deriving NMR surface relaxivity and pore size distributions by NMR relaxation experiments on partially desaturated rocks

    NASA Astrophysics Data System (ADS)

    Mohnke, O.; Hughes, B.

    2014-06-01

    Nuclear magnetic resonance (NMR) relaxometry is a geophysical method widely used in borehole and laboratory applications to nondestructively infer transport and storage properties of rocks and soils as it is directly sensitive to the water/oil content and pore sizes. However, for inferring pore sizes, NMR relaxometry data need to be calibrated with respect to a surface interaction parameter, surface relaxivity, which depends on the type and mineral constituents of the investigated rock. This study introduces an inexpensive and quick alternative to the classical calibration methods, e.g., mercury injection, pulsed field gradient (PFG) NMR, or grain size analysis, which allows for jointly estimating NMR surface relaxivity and pore size distributions using NMR relaxometry data from partially desaturated rocks. Hereby, NMR relaxation experiments are performed on the fully saturated sample and on a sample partially drained at a known differential pressure. Based on these data, the (capillary) pore radius distribution and surface relaxivity are derived by joint optimization of the Brownstein-Tarr and the Young-Laplace equation assuming parallel capillaries. Moreover, the resulting pore size distributions can be used to predict water retention curves. This inverse modeling approach—tested and validated using NMR relaxometry data measured on synthetic porous borosilicate samples with known petrophysical properties (i.e., permeability, porosity, inner surfaces, pore size distributions)—yields consistent and reproducible estimates of surface relaxivity and pore radii distributions. Also, subsequently calculated water retention curves generally correlate well with measured water retention curves.

  19. Multiple Acquisition of Magic Angle Spinning Solid-State NMR Experiments Using One Receiver: Application to Microcrystalline and Membrane Protein Preparations

    PubMed Central

    Gopinath, T.; Veglia, Gianluigi

    2015-01-01

    Solid-State NMR spectroscopy of proteins is a notoriously low-throughput technique. Relatively low-sensitivity and poor resolution of protein samples require long acquisition times for multidimensional NMR experiments. To speed up data acquisition, we developed a family of experiments called Polarization Optimized Experiments (POE), in which we utilized the orphan spin operators that are discarded in classical multidimensional NMR experiments, recovering them to allow simultaneous acquisition of multiple 2D and 3D experiments, all while using conventional probes with spectrometers equipped with one receiver. POEs allow the concatenation of multiple 2D or 3D pulse sequences into a single experiment, thus potentially combining all of the aforementioned advances, boosting the capability of ssNMR spectrometers at least two-fold without the addition of any hardware. In this Perspective, we describe the first generation of POEs, such as dual acquisition MAS (or DUMAS) methods, and then illustrate the evolution of these experiments into MEIOSIS, a method that enables the simultaneous acquisition of multiple 2D and 3D spectra. Using these new pulse schemes for the solid-state NMR investigation of biopolymers makes it possible to obtain sequential resonance assignments, as well as distance restraints, in about half the experimental time. While designed for acquisition of heteronuclei, these new experiments can be easily implemented for proton detection and coupled with other recent advancements, such as dynamic polarization, to improve signal to noise. Finally, we illustrate the application of these methods to microcrystalline protein preparations as well as single and multi-span membrane proteins reconstituted in lipid membranes. PMID:25797011

  20. Multiple acquisition of magic angle spinning solid-state NMR experiments using one receiver: Application to microcrystalline and membrane protein preparations

    NASA Astrophysics Data System (ADS)

    Gopinath, T.; Veglia, Gianluigi

    2015-04-01

    Solid-state NMR spectroscopy of proteins is a notoriously low-throughput technique. Relatively low-sensitivity and poor resolution of protein samples require long acquisition times for multidimensional NMR experiments. To speed up data acquisition, we developed a family of experiments called Polarization Optimized Experiments (POE), in which we utilized the orphan spin operators that are discarded in classical multidimensional NMR experiments, recovering them to allow simultaneous acquisition of multiple 2D and 3D experiments, all while using conventional probes with spectrometers equipped with one receiver. POE allow the concatenation of multiple 2D or 3D pulse sequences into a single experiment, thus potentially combining all of the aforementioned advances, boosting the capability of ssNMR spectrometers at least two-fold without the addition of any hardware. In this perspective, we describe the first generation of POE, such as dual acquisition MAS (or DUMAS) methods, and then illustrate the evolution of these experiments into MEIOSIS, a method that enables the simultaneous acquisition of multiple 2D and 3D spectra. Using these new pulse schemes for the solid-state NMR investigation of biopolymers makes it possible to obtain sequential resonance assignments, as well as distance restraints, in about half the experimental time. While designed for acquisition of heteronuclei, these new experiments can be easily implemented for proton detection and coupled with other recent advancements, such as dynamic nuclear polarization (DNP), to improve signal to noise. Finally, we illustrate the application of these methods to microcrystalline protein preparations as well as single and multi-span membrane proteins reconstituted in lipid membranes.

  1. Comparison of experimental data and 3D simulations of ion beam neutralization from the neutralized transport experiment

    SciTech Connect

    Thoma, C.; Welch, D.R.; Yu, S.S.; Henestroza, E.; Roy, P.K.; Eylon, S.; Gilson, E.P.

    2004-09-22

    The Neutralized Transport Experiment (NTX) at Lawrence Berkeley National Laboratory has been designed to study the final focus and neutralization of high perveance ion beams for applications in heavy ion fusion (HIF) and high energy density physics (HEDP) experiments. Pre-formed plasmas in the last meter before the target of the scaled experiment provide a source of electrons which neutralize the ion current and prevent the space-charge induced spreading of the beam spot. NTX physics issues are discussed and experimental data is analyzed and compared with 3D particle-in-cell simulations. Along with detailed target images, 4D phase-space data of the NTX at the entrance of the neutralization region has been acquired. This data is used to provide a more accurate beam distribution with which to initialize the simulation. Previous treatments have used various idealized beam distributions which lack the detailed features of the experimental ion beam images. Simulation results are compared with NTX experimental measurements for 250 keV K{sup +} ion beams with dimensionless perveance of 1-7 x 10{sup -4}. In both simulation and experiment, the deduced beam charge neutralization is close to the predicted maximum value.

  2. Collaborative development for setup, execution, sharing and analytics of complex NMR experiments

    NASA Astrophysics Data System (ADS)

    Irvine, Alistair G.; Slynko, Vadim; Nikolaev, Yaroslav; Senthamarai, Russell R. P.; Pervushin, Konstantin

    2014-02-01

    Factory settings of NMR pulse sequences are rarely ideal for every scenario in which they are utilised. The optimisation of NMR experiments has for many years been performed locally, with implementations often specific to an individual spectrometer. Furthermore, these optimised experiments are normally retained solely for the use of an individual laboratory, spectrometer or even single user. Here we introduce a web-based service that provides a database for the deposition, annotation and optimisation of NMR experiments. The application uses a Wiki environment to enable the collaborative development of pulse sequences. It also provides a flexible mechanism to automatically generate NMR experiments from deposited sequences. Multidimensional NMR experiments of proteins and other macromolecules consume significant resources, in terms of both spectrometer time and effort required to analyse the results. Systematic analysis of simulated experiments can enable optimal allocation of NMR resources for structural analysis of proteins. Our web-based application (http://nmrplus.org) provides all the necessary information, includes the auxiliaries (waveforms, decoupling sequences etc.), for analysis of experiments by accurate numerical simulation of multidimensional NMR experiments. The online database of the NMR experiments, together with a systematic evaluation of their sensitivity, provides a framework for selection of the most efficient pulse sequences. The development of such a framework provides a basis for the collaborative optimisation of pulse sequences by the NMR community, with the benefits of this collective effort being available to the whole community.

  3. Structure and Metabolic-Flow Analysis of Molecular Complexity in a (13) C-Labeled Tree by 2D and 3D NMR.

    PubMed

    Komatsu, Takanori; Ohishi, Risa; Shino, Amiu; Kikuchi, Jun

    2016-05-10

    Improved signal identification for biological small molecules (BSMs) in a mixture was demonstrated by using multidimensional NMR on samples from (13) C-enriched Rhododendron japonicum (59.5 atom%) cultivated in air containing (13) C-labeled carbon dioxide for 14 weeks. The resonance assignment of 386 carbon atoms and 380 hydrogen atoms in the mixture was achieved. 42 BSMs, including eight that were unlisted in the spectral databases, were identified. Comparisons between the experimental values and the (13) C chemical shift values calculated by density functional theory supported the identifications of unlisted BSMs. Tracing the (13) C/(12) C ratio by multidimensional NMR spectra revealed faster and slower turnover ratios of BSMs involved in central metabolism and those categorized as secondary metabolites, respectively. The identification of BSMs and subsequent flow analysis provided insight into the metabolic systems of the plant. PMID:27060701

  4. Accessible NMR Experiments Studying the Hydrodynamics of [subscript 15]N-Enriched Ubiquitin at Low Fields

    ERIC Educational Resources Information Center

    Thompson, Laura E.; Rovnyak, David

    2007-01-01

    We have recently developed and implemented two experiments in biomolecular NMR for an undergraduate-level biophysical chemistry laboratory with commercially available [subscript 15]N-enriched human ubiquitin. These experiments take advantage of [subscript 15]N direct detection of the NMR signal. The first experiment develops skills in acquiring…

  5. Accessible NMR Experiments Studying the Hydrodynamics of [superscript 15]N-Enriched Ubiquitin at Low Fields

    ERIC Educational Resources Information Center

    Thompson, Laura E.; Rovnyak, David

    2007-01-01

    We have recently developed and implemented two experiments in biomolecular NMR for an undergraduate-level biophysical chemistry laboratory with commercially available [superscript 15]N-enriched human ubiquitin. These experiments take advantage of [superscript 15]N direct detection of the NMR signal. The first experiment develops skills in…

  6. Modeling Warm Dense Matter Experiments using the 3D ALE-AMR Code and the Move Toward Exascale Computing

    SciTech Connect

    Koniges, A; Eder, E; Liu, W; Barnard, J; Friedman, A; Logan, G; Fisher, A; Masers, N; Bertozzi, A

    2011-11-04

    The Neutralized Drift Compression Experiment II (NDCX II) is an induction accelerator planned for initial commissioning in 2012. The final design calls for a 3 MeV, Li+ ion beam, delivered in a bunch with characteristic pulse duration of 1 ns, and transverse dimension of order 1 mm. The NDCX II will be used in studies of material in the warm dense matter (WDM) regime, and ion beam/hydrodynamic coupling experiments relevant to heavy ion based inertial fusion energy. We discuss recent efforts to adapt the 3D ALE-AMR code to model WDM experiments on NDCX II. The code, which combines Arbitrary Lagrangian Eulerian (ALE) hydrodynamics with Adaptive Mesh Refinement (AMR), has physics models that include ion deposition, radiation hydrodynamics, thermal diffusion, anisotropic material strength with material time history, and advanced models for fragmentation. Experiments at NDCX-II will explore the process of bubble and droplet formation (two-phase expansion) of superheated metal solids using ion beams. Experiments at higher temperatures will explore equation of state and heavy ion fusion beam-to-target energy coupling efficiency. Ion beams allow precise control of local beam energy deposition providing uniform volumetric heating on a timescale shorter than that of hydrodynamic expansion. The ALE-AMR code does not have any export control restrictions and is currently running at the National Energy Research Scientific Computing Center (NERSC) at LBNL and has been shown to scale well to thousands of CPUs. New surface tension models that are being implemented and applied to WDM experiments. Some of the approaches use a diffuse interface surface tension model that is based on the advective Cahn-Hilliard equations, which allows for droplet breakup in divergent velocity fields without the need for imposed perturbations. Other methods require seeding or other methods for droplet breakup. We also briefly discuss the effects of the move to exascale computing and related

  7. An assessment of the 3D geometric surrogacy of shock timing diagnostic techniques for tuning experiments on the NIF

    NASA Astrophysics Data System (ADS)

    Robey, H. F.; Munro, D. H.; Spears, B. K.; Marinak, M. M.; Jones, O. S.; Patel, M. V.; Haan, S. W.; Salmonson, J. D.; Landen, O. L.; Boehly, T. R.; Nikroo, A.

    2008-05-01

    Ignition capsule implosions planned for the National Ignition Facility (NIF) require a pulse shape with a carefully designed series of four steps, which launch a corresponding series of shocks through the ablator and DT ice shell. The relative timing of these shocks is critical for maintaining the DT fuel on a low adiabat. The current NIF specification requires that the timing of all four shocks be tuned to an accuracy of <= +/- 100ps. To meet these stringent requirements, dedicated tuning experiments are being planned to measure and adjust the shock timing on NIF. These tuning experiments will be performed in a modified hohlraum geometry, where a re-entrant Au cone is added to the standard NIF hohlraum to provide optical diagnostic (VISAR and SOP) access to the shocks as they break out of the ablator. This modified geometry is referred to as the 'keyhole' hohlraum and introduces a geometric difference between these tuning-experiments and the full ignition geometry. In order to assess the surrogacy of this modified geometry, 3D simulations using HYDRA [1] have been performed. The results from simulations of a quarter of the target geometry are presented. Comparisons of the hohlraum drive conditions and the resulting effect on the shock timing in the keyhole hohlraum are compared with the corresponding results for the standard ignition hohlraum.

  8. The DOSIS and DOSIS 3D Experiments onboard the International Space Station - Results from the Active DOSTEL Instruments

    NASA Astrophysics Data System (ADS)

    Burmeister, Soenke; Berger, Thomas; Reitz, Guenther; Beaujean, Rudolf; Boehme, Matthias; Haumann, Lutz; Labrenz, Johannes; Kortmann, Onno

    2012-07-01

    Besides the effects of the microgravity environment, and the psychological and psychosocial problems experienced in confined spaces, radiation is the main health detriment for long duration human space missions. The radiation environment encountered in space differs in nature from that on earth, consisting mostly of high energetic ions from protons up to iron, resulting in radiation levels far exceeding the ones present on earth for occupational radiation workers. Accurate knowledge of the physical characteristics of the space radiation field in dependence on the solar activity, the orbital parameters and the different shielding configurations of the International Space Station ISS is therefore needed. For the investigation of the spatial and temporal distribution of the radiation field inside the European COLUMBUS module the experiment DOSIS (Dose Distribution Inside the ISS) under the lead of DLR was launched on July 15th 2009 with STS-127 to the ISS. The experimental package was transferred from the Space Shuttle into COLUMBUS on July 18th. It consists of a combination of passive detector packages (PDP) distributed at 11 locations inside the European Columbus Laboratory and two active radiation detectors (DOSTELs) with a DDPU (DOSTEL Data and Power Unit) in a nomex pouch (DOSIS MAIN BOX) mounted at a fixed location beneath the European Physiology Module rack (EPM) inside COLUMBUS. The DOSTELs measured during the lowest solar minimum conditions in the space age from July 18th 2009 to June 16th 2011. In July 2011 the active hardware was transferred to ground for refurbishment and preparation for the DOSIS-3D experiment. The hardware will be launched with the Soyuz 30S flight to the ISS on May 15th 2012 and activated approximately ten days later. Data will be transferred from the DOSTEL units to ground via the EPM rack which is activated approximately every four weeks for this action. First Results for the active DOSIS-3D measurements such as count rate profiles

  9. Comparison of 2D and 3D Numerical Models with Experiments of Tsunami Flow through a Built Environment

    NASA Astrophysics Data System (ADS)

    LeVeque, R. J.; Motley, M. R.

    2015-12-01

    A series of tsunami wave basin experiments of flow through a scale model of Seaside, Oregon have been used as validation data for a 2015 benchmarking workshop hosted by the National Tsunami Mitigation Program, which focused on better understanding the ability of tsunami models to predict flow velocities and inundation depths following a coastal inundation event. As researchers begin to assess the safety of coastal infrastructures, proper assessment of tsunami-induced forces on coastal structures is critical. Hydrodynamic forces on these structures are fundamentally proportional to the local momentum flux of the fluid, and experimental data included momentum flux measurements at many instrumented gauge locations. The GeoClaw tsunami model, which solves the two-dimensional shallow water equations, was compared against other codes during the benchmarking workshop, and more recently a three-dimensional computational fluid dynamics model using the open-source OpenFOAM software has been developed and results from this model are being compared with both the experimental data and the 2D GeoClaw results. In addition, the 3D model allows for computation of fluid forces on the faces of structures, permitting an investigation of the common use of momentum flux as a proxy for these forces. This work aims to assess the potential to apply these momentum flux predictions locally within the model to determine tsunami-induced forces on critical structures. Difficulties in working with these data sets and cross-model comparisons will be discussed. Ultimately, application of the more computationally efficient GeoClaw model, informed by the 3D OpenFOAM models, to predict forces on structures at the community scale can be expected to improve the safety and resilience of coastal communities.

  10. Monitoring a pilot CO2 injection experiment in a shallow aquifer using 3D cross-well electrical resistance tomography

    NASA Astrophysics Data System (ADS)

    Yang, X.; Lassen, R. N.; Looms, M. C.; Jensen, K. H.

    2014-12-01

    Three dimensional electrical resistance tomography (ERT) was used to monitor a pilot CO2 injection experiment at Vrøgum, Denmark. The purpose was to evaluate the effectiveness of the ERT method for monitoring the two opposing effects from gas-phase and dissolved CO2 in a shallow unconfined siliciclastic aquifer. Dissolved CO2 increases water electrical conductivity (EC) while gas phase CO2 reduce EC. We injected 45kg of CO2 into a shallow aquifer for 48 hours. ERT data were collected for 50 hours following CO2 injection. Four ERT monitoring boreholes were installed on a 5m by 5m square grid and each borehole had 24 electrodes at 0.5 m electrode spacing at depths from 1.5 m to 13 m. ERT data were inverted using a difference inversion algorithm for bulk EC. 3D ERT successfully detected the CO2 plume distribution and growth in the shallow aquifer. We found that the changes of bulk EC were dominantly positive following CO2 injection, indicating that the effect of dissolved CO2 overwhelmed that of gas phase CO2. The pre-injection baseline resistivity model clearly showed a three-layer structure of the site. The electrically more conductive glacial sand layer in the northeast region are likely more permeable than the overburden and underburden and CO2 plumes were actually confined in this layer. Temporal bulk EC increase from ERT agreed well with water EC and cross-borehole ground penetrating radar data. ERT monitoring offers a competitive advantage over water sampling and GPR methods because it provides 3D high-resolution temporal tomographic images of CO2 distribution and it can also be automated for unattended operation. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC. LLNL IM release#: LLNL-PROC-657944.

  11. Estimating porosity with ground-penetrating radar reflection tomography: A controlled 3-D experiment at the Boise Hydrogeophysical Research Site

    NASA Astrophysics Data System (ADS)

    Bradford, John H.; Clement, William P.; Barrash, Warren

    2009-04-01

    To evaluate the uncertainty of water-saturated sediment velocity and porosity estimates derived from surface-based, ground-penetrating radar reflection tomography, we conducted a controlled field experiment at the Boise Hydrogeophysical Research Site (BHRS). The BHRS is an experimental well field located near Boise, Idaho. The experimental data set consisted of 3-D multioffset radar acquired on an orthogonal 20 × 30 m surface grid that encompassed a set of 13 boreholes. Experimental control included (1) 1-D vertical velocity functions determined from traveltime inversion of vertical radar profiles (VRP) and (2) neutron porosity logs. We estimated the porosity distribution in the saturated zone using both the Topp and Complex Refractive Index Method (CRIM) equations and found the CRIM estimates in better agreement with the neutron logs. We found that when averaged over the length of the borehole, surface-derived velocity measurements were within 5% of the VRP velocities and that the porosity differed from the neutron log by less than 0.05. The uncertainty, however, is scale dependent. We found that the standard deviation of differences between ground-penetrating-radar-derived and neutron-log-derived porosity values was as high as 0.06 at an averaging length of 0.25 m but decreased to less than 0.02 at length scale of 11 m. Additionally, we used the 3-D porosity distribution to identify a relatively high-porosity anomaly (i.e., local sedimentary body) within a lower-porosity unit and verified the presence of the anomaly using the neutron porosity logs. Since the reflection tomography approach requires only surface data, it can provide rapid assessment of bulk hydrologic properties, identify meter-scale anomalies of hydrologic significance, and may provide input for other higher-resolution measurement methods.

  12. Development and application of a ray-tracing code integrating with 3D equilibrium mapping in LHD ECH experiments

    NASA Astrophysics Data System (ADS)

    Tsujimura, T., Ii; Kubo, S.; Takahashi, H.; Makino, R.; Seki, R.; Yoshimura, Y.; Igami, H.; Shimozuma, T.; Ida, K.; Suzuki, C.; Emoto, M.; Yokoyama, M.; Kobayashi, T.; Moon, C.; Nagaoka, K.; Osakabe, M.; Kobayashi, S.; Ito, S.; Mizuno, Y.; Okada, K.; Ejiri, A.; Mutoh, T.

    2015-11-01

    The central electron temperature has successfully reached up to 7.5 keV in large helical device (LHD) plasmas with a central high-ion temperature of 5 keV and a central electron density of 1.3× {{10}19} m-3. This result was obtained by heating with a newly-installed 154 GHz gyrotron and also the optimisation of injection geometry in electron cyclotron heating (ECH). The optimisation was carried out by using the ray-tracing code ‘LHDGauss’, which was upgraded to include the rapid post-processing three-dimensional (3D) equilibrium mapping obtained from experiments. For ray-tracing calculations, LHDGauss can automatically read the relevant data registered in the LHD database after a discharge, such as ECH injection settings (e.g. Gaussian beam parameters, target positions, polarisation and ECH power) and Thomson scattering diagnostic data along with the 3D equilibrium mapping data. The equilibrium map of the electron density and temperature profiles are then extrapolated into the region outside the last closed flux surface. Mode purity, or the ratio between the ordinary mode and the extraordinary mode, is obtained by calculating the 1D full-wave equation along the direction of the rays from the antenna to the absorption target point. Using the virtual magnetic flux surfaces, the effects of the modelled density profiles and the magnetic shear at the peripheral region with a given polarisation are taken into account. Power deposition profiles calculated for each Thomson scattering measurement timing are registered in the LHD database. The adjustment of the injection settings for the desired deposition profile from the feedback provided on a shot-by-shot basis resulted in an effective experimental procedure.

  13. 2D divertor heat flux distribution using a 3D heat conduction solver in National Spherical Torus Experiment.

    PubMed

    Gan, K F; Ahn, J-W; Park, J-W; Maingi, R; McLean, A G; Gray, T K; Gong, X; Zhang, X D

    2013-02-01

    The divertor heat flux footprint in tokamaks is often observed to be non-axisymmetric due to intrinsic error fields, applied 3D magnetic fields or during transients such as edge localized modes. Typically, only 1D radial heat flux profiles are analyzed; however, analysis of the full 2D divertor measurements provides opportunities to study the asymmetric nature of the deposited heat flux. To accomplish this an improved 3D Fourier analysis method has been successfully applied in a heat conduction solver (TACO) to determine the 2D heat flux distribution at the lower divertor surface in the National Spherical Torus Experiment (NSTX) tokamak. This advance enables study of helical heat deposition onto the divertor. In order to account for heat transmission through poorly adhered surface layers on the divertor plate, a heat transmission coefficient, defined as the surface layer thermal conductivity divided by the thickness of the layer, was introduced to the solution of heat conduction equation. This coefficient is denoted as α and a range of values were tested in the model to ensure a reliable heat flux calculation until a specific value of α led to the constant total deposited energy in the numerical solution after the end of discharge. A comparison between 1D heat flux profiles from TACO and from a 2D heat flux calculation code, THEODOR, shows good agreement. Advantages of 2D heat flux distribution over the conventional 1D heat flux profile are also discussed, and examples of 2D data analysis in the study of striated heat deposition pattern as well as the toroidal degree of asymmetry of peak heat flux and heat flux width are demonstrated. PMID:23464209

  14. 2D divertor heat flux distribution using a 3D heat conduction solver in National Spherical Torus Experiment

    NASA Astrophysics Data System (ADS)

    Gan, K. F.; Ahn, J.-W.; Park, J.-W.; Maingi, R.; McLean, A. G.; Gray, T. K.; Gong, X.; Zhang, X. D.

    2013-02-01

    The divertor heat flux footprint in tokamaks is often observed to be non-axisymmetric due to intrinsic error fields, applied 3D magnetic fields or during transients such as edge localized modes. Typically, only 1D radial heat flux profiles are analyzed; however, analysis of the full 2D divertor measurements provides opportunities to study the asymmetric nature of the deposited heat flux. To accomplish this an improved 3D Fourier analysis method has been successfully applied in a heat conduction solver (TACO) to determine the 2D heat flux distribution at the lower divertor surface in the National Spherical Torus Experiment (NSTX) tokamak. This advance enables study of helical heat deposition onto the divertor. In order to account for heat transmission through poorly adhered surface layers on the divertor plate, a heat transmission coefficient, defined as the surface layer thermal conductivity divided by the thickness of the layer, was introduced to the solution of heat conduction equation. This coefficient is denoted as α and a range of values were tested in the model to ensure a reliable heat flux calculation until a specific value of α led to the constant total deposited energy in the numerical solution after the end of discharge. A comparison between 1D heat flux profiles from TACO and from a 2D heat flux calculation code, THEODOR, shows good agreement. Advantages of 2D heat flux distribution over the conventional 1D heat flux profile are also discussed, and examples of 2D data analysis in the study of striated heat deposition pattern as well as the toroidal degree of asymmetry of peak heat flux and heat flux width are demonstrated.

  15. Using an NMR Spectrometer to Do Magnetic Resonance Imaging: An Undergraduate Physical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Steinmetz, Wayne E.; Maher, M. Cyrus

    2007-01-01

    A conventional Fourier-transform NMR spectrometer with a triple-axis gradient probe can function as a MRI imager. In this experiment students gain hands-on experience with MRI while they learn about important principles underlying the practice of NMR, such as gradients, multi-dimensional spectroscopy, and relaxation. Students image a biological…

  16. A Solid-State NMR Experiment: Analysis of Local Structural Environments in Phosphate Glasses

    ERIC Educational Resources Information Center

    Anderson, Stanley E.; Saiki, David; Eckert, Hellmut; Meise-Gresch, Karin

    2004-01-01

    An experiment that can be used to directly study the local chemical environments of phosphorus in solid amorphous materials is demonstrated. The experiment aims at familiarizing the students of chemistry with the principles of solid-state NMR, by having them synthesize a simple phosphate glass, and making them observe the (super 31)P NMR spectrum,…

  17. Application of k- and q-space encoding NMR techniques on granular media in a 3D model fluidized bed reactor

    NASA Astrophysics Data System (ADS)

    Harms, Silke; Stapf, Siegfried; Blümich, Bernhard

    2006-02-01

    A combination of PFG-NMR imaging and velocity encoding methods was applied to investigate the dynamic behavior of a bed of poppy seeds subjected to air flow, representing a model setup for fluidized bed reactors. The particle motion is described both from a statistical point of view, by determining propagators and dispersion coefficients representing an average over the whole bed volume, as well as combined with spatial resolution by generating velocity maps. Velocity images of different horizontal slices in the bed confirm the notion of a toroidal particle flow pattern inside the shallow granular bed. Despite the need of considerable averaging due to the random motion of the relatively few particles in the bed, quantitative velocity images and statistical information about the random particle motion can be obtained from monitoring the fluid component in the seeds by conventional spin-echo techniques.

  18. Runaway electron production in DIII-D killer pellet experiments, calculated with the CQL3D/KPRAD model

    SciTech Connect

    Harvey, R. W.; Chan, V. S.; Chiu, S. C.; Evans, T. E.; Rosenbluth, M. N.; Whyte, D. G.

    2000-11-01

    Runaway electrons are calculated to be produced during the rapid plasma cooling resulting from ''killer pellet'' injection experiments, in general agreement with observations in the DIII-D [J. L. Luxon , Plasma Physics and Controlled Nuclear Fusion Research 1986 (International Atomic Energy Agency, Vienna, 1987), Vol. I, p. 159] tokamak. The time-dependent dynamics of the kinetic runaway distributions are obtained with the CQL3D [R. W. Harvey and M. G. McCoy, ''The CQL3D Code,'' in Proceedings of the IAEA Technical Committee Meeting on Numerical Modeling, Montreal, 1992 (International Atomic Energy Agency, Vienna, 1992), p. 489] collisional Fokker--Planck code, including the effect of small and large angle collisions and stochastic magnetic field transport losses. The background density, temperature, and Z{sub eff} are evolved according to the KPRAD [D. G. Whyte and T. E. Evans , in Proceedings of the 24th European Conference on Controlled Fusion and Plasma Physics, Berchtesgaden, Germany (European Physical Society, Petit-Lancy, 1997), Vol. 21A, p. 1137] deposition and radiation model of pellet--plasma interactions. Three distinct runway mechanisms are apparent: (1) prompt ''hot-tail runaways'' due to the residual hot electron tail remaining from the pre-cooling phase, (2) ''knock-on'' runaways produced by large-angle Coulomb collisions on existing high energy electrons, and (3) Dreicer ''drizzle'' runaway electrons due to diffusion of electrons up to the critical velocity for electron runaway. For electron densities below {approx}1x10{sup 15}cm{sup -3}, the hot-tail runaways dominate the early time evolution, and provide the seed population for late time knock-on runaway avalanche. For small enough stochastic magnetic field transport losses, the knock-on production of electrons balances the losses at late times. For losses due to radial magnetic field perturbations in excess of {approx}0.1% of the background field, i.e., {delta}B{sub r}/B{>=}0.001, the losses

  19. NSF Research Experience for Undergraduates: 3-D Characterization and Comparison of Vegetation Structure in a Tropical Premontane Wet Forest

    NASA Astrophysics Data System (ADS)

    Washington-Allen, R. A.; Davis, K.; Falkowski, T.; Tarbox, B.; Delgado, A.; March, R.; Moore, G. W.; Tjoelker, M.; Gonzalez, E.; Houser, C.

    2011-12-01

    This National Science Foundation (NSF) Research Experience for Undergraduates (REU) site hosted by Texas A&M University to allow selected undergraduate students to conduct original research on various aspects of the ecohydrology of understudied tropical pre-montane forest at the Texas A&M Soltis Center for Research and Education in Central Costa Rica. This particular study was conducted by 3 students under the guidance of 5 mentors who assisted in experimental design, equipment use, maintenance, and training, plant species identification and other logistical requirements. The goal of this study was to determine the change in 3-D structure of tropical premontane wet forest under 3 different land uses: a carbon tree farm, secondary logged forest, and primary unlogged forest. Traditional forest mensuration techniques including glass prisms (stand basal area), laser clinometers (height), vertical and horizontal PAR, spherical densiometers, and hemispherical photography (GAP fraction and LAI) and, root cores, and diameter-at-breast height (DBH) tapes were acquired in one 30-m diameter plot per land and use compared to similar metrics collected by a terrestrial scanning laser (TSL) and ground penetrating radar (GPR) at 400 MHz and 1.5 GHz across 3 land uses along an elevation gradient from ~380-masl to 525-masl. Besides discovery, another goal of this study was to see if the TSL and GPR can help meet the Tier 2 and 3 monitoring and verification goals of the United Nations Collaborative Programme on Reducing Emissions from Deforestation and Forest Degradation in Developing Countries for estimating above- and below-ground biomass using remote sensing. This is of particular importance because the GPR may be able to capture below-ground biomass in a more efficient manner than traditional coring and the TSL and GPR can capture data on highly sloped terrain where both airborne and satellite RADAR and LIDAR are limited. The 50, 000 pts/sec 532 nm TSL collected 3 to 5 scans per

  20. Titration of Alanine Monitored by NMR Spectroscopy: A Biochemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Waller, Francis J.; And Others

    1977-01-01

    The experiment described here involves simultaneous monitoring of pH and NMR chemical shifts during an aqueous titration of alpha- and beta-alanine. This experiment is designed for use in an undergraduate biochemistry course. (MR)

  1. Novel 2D Triple-Resonance NMR Experiments for Sequential Resonance Assignments of Proteins

    NASA Astrophysics Data System (ADS)

    Ding, Keyang; Gronenborn, Angela M.

    2002-06-01

    We present 2D versions of the popular triple resonance HN(CO) CACB, HN(COCA)CACB, HN(CO)CAHA, and HN(COCA) CAHA experiments, commonly used for sequential resonance assignments of proteins. These experiments provide information about correlations between amino proton and nitrogen chemical shifts and the α- and β-carbon and α-proton chemical shifts within and between amino acid residues. Using these 2D spectra, sequential resonance assignments of H N, N, C α, C β, and H α nuclei are easily achieved. The resolution of these spectra is identical to the well-resolved 2D 15N- 1H HSQC and H(NCO)CA spectra, with slightly reduced sensitivity compared to their 3D and 4D versions. These types of spectra are ideally suited for exploitation in automated assignment procedures and thereby constitute a fast and efficient means for NMR structural determination of small and medium-sized proteins in solution in structural genomics programs.

  2. Texture of B-mode echograms: 3-D simulations and experiments of the effects of diffraction and scatterer density.

    PubMed

    Oosterveld, B J; Thijssen, J M; Verhoef, W A

    1985-04-01

    B-mode echograms were simulated by employing the impulse response method in transmission and reception using a discrete scatterer tissue model, with and without attenuation. The analytic signal approach was used for demodulation of the RF A-mode lines. The simulations were performed in 3-D space and compared to B-mode echograms obtained from experiments with scattering tissue phantoms. The average echo amplitude appeared to increase towards the focus and to decrease beyond it. In the focal zone, the average amplitude increased proportionally to the square root of the scatterer density. The signal to noise ratio (SNR) was found to be independent of depth, i.e., 1.91 as predicted for a Rayleigh distribution of gray levels, although a minimum was found in the focal zone at relatively low scatterer densities. The SNR continuously increased with increasing scatterer density and reached the limit of 1.91 at relatively high densities (greater than 10(4) cm-3). The lateral full width at half maximum (FWHM) of the two dimensional autocovariance function of the speckle increased continuously from the transducer face to far beyond the focus and decreased thereafter due to the diffraction effect. The lateral FWHM decreased proportionally to the logarithm of the scatterer density at low densities and reached a limit at high densities. Introduction of attenuation in the simulated tissue resulted in a much more pronounced depth dependence of the texture. The axial FWHM was independent of the distance to the transducer to a first approximation and decreased slightly with increasing scatterer density until a limit was reached at densities larger than 10(3) cm-3. This limit was in agreement with theory. The experiments confirmed the simulations and it can be concluded that the presented results are of great importance to the understanding of B-mode echograms and to the potential use of the analysis of B-mode texture for tissue characterization. PMID:3909602

  3. Sol-gel synthesis, phase composition, morphological and structural characterization of Ca10(PO4)6(OH)2: XRD, FTIR, SEM, 3D SEM and solid-state NMR studies

    NASA Astrophysics Data System (ADS)

    Kareiva, Simonas; Klimavicius, Vytautas; Momot, Aleksandr; Kausteklis, Jonas; Prichodko, Aleksandra; Dagys, Laurynas; Ivanauskas, Feliksas; Sakirzanovas, Simas; Balevicius, Vytautas; Kareiva, Aivaras

    2016-09-01

    Aqueous sol-gel chemistry route based on ammonium-hydrogen phosphate as the phosphorus precursor, calcium acetate monohydrate as source of calcium ions, and 1,2-ethylendiaminetetraacetic acid (EDTA), or 1,2-diaminocyclohexanetetracetic acid (DCTA), or tartaric acid (TA), or ethylene glycol (EG), or glycerol (GL) as complexing agents have been used to prepare calcium hydroxyapatite (Ca10(PO4)6(OH)2, CHAp). The phase transformations, composition, and structural changes in the polycrystalline samples were studied by infrared spectroscopy (FTIR), X-ray powder diffraction analysis (XRD), and scanning electron microscopy (SEM). The local short-range (nano- and mezo-) scale effects in CHAp were studied using solid-state NMR spectroscopy. The spatial 3D data from the SEM images of CHAp samples obtained by TA, EG and GL sol-gel routes were recovered for the first time to our knowledge.

  4. An Analysis of a Commercial Furniture Refinisher: A Comprehensive Introductory NMR Experiment.

    ERIC Educational Resources Information Center

    Markow, Peter G.; Cramer, John A.

    1983-01-01

    Describes a comprehensive nuclear magnetic resonance (NMR) experiment designed to introduce undergraduate organic chemistry students to measurement/interpretation of NMR parameters. Students investigate chemical shift analysis, spin-spin coupling, peak integrations, effect of deuterium oxide extraction, and comparisons with literature spectra;…

  5. 3D ¹⁵N/¹⁵N/¹H chemical shift correlation experiment utilizing an RFDR-based ¹H/¹H mixing period at 100 kHz MAS.

    PubMed

    Nishiyama, Yusuke; Malon, Michal; Ishii, Yuji; Ramamoorthy, Ayyalusamy

    2014-07-01

    Homonuclear correlation NMR experiments are commonly used in the high-resolution structural studies of proteins. While (13)C/(13)C chemical shift correlation experiments utilizing dipolar recoupling techniques are fully utilized under MAS, correlation of the chemical shifts of (15)N nuclei in proteins has been a challenge. Previous studies have shown that the negligible (15)N-(15)N dipolar coupling in peptides or proteins necessitates the use of a very long mixing time (typically several seconds) for effective spin diffusion to occur and considerably slows down a (15)N/(15)N correlation experiment. In this study, we show that the use of mixing proton magnetization, instead of (15)N, via the recoupled (1)H-(1)H dipolar couplings enable faster (15)N/(15)N correlation. In addition, the use of proton-detection under ultrafast MAS overcomes the sensitivity loss due to multiple magnetization transfer (between (1)H and (15)N nuclei) steps. In fact, less than 300 nL (∼1.1 micromole quantity) sample is sufficient to acquire the 3D spectrum within 5 h. Our results also demonstrate that a 3D (15)N/(15)N/(1)H experiment can render higher resolution spectra that will be useful in the structural studies of proteins at ultrafast MAS frequencies. 3D (15)N/(15)N/(1)H and 2D radio frequency-driven dipolar recoupling (RFDR)-based (1)H/(1)H experimental results obtained from a powder sample of N-acetyla-L-(15)N-valyl-L-(15)N-leucine at 70 and 100kHz MAS frequencies are presented. PMID:24801998

  6. Measurement and ALE3D Simulation of Violence in a Deflagration Experiment With LX-10 and Aermet-100 Alloy

    SciTech Connect

    Knap, J; McClelland, M A; Maienschein, J L; Howard, W M; Nichols, A L; deHaven, M R; Strand, O T

    2006-06-22

    We describe the results of a Scaled-Thermal-Explosion-eXperiment (STEX) for LX-10 (94.7 % HMX, 5.3 % Viton A) confined in an AerMet 100 (iron-cobalt-nickel alloy) tube with reinforced end caps. The experimental measurements are compared with predictions of an Arbitrary-Lagrangian-Eulerian (ALE3D) computer model. ALE3D is a three-dimensional multi-physics computer code capable of solving coupled equations describing thermal, mechanical and chemical behavior of materials. In particular, we focus on the processes linked to fracture and fragmentation of the AerMet tube driven by the LX-10 deflagration.

  7. Sensitive and robust electrophoretic NMR: Instrumentation and experiments

    NASA Astrophysics Data System (ADS)

    Hallberg, Fredrik; Furó, István; Yushmanov, Pavel V.; Stilbs, Peter

    2008-05-01

    Although simple as a concept, electrophoretic NMR (eNMR) has so far failed to find wider application. Problems encountered are mainly due to disturbing and partly irreproducible convection-like bulk flow effects from both electro-osmosis and thermal convection. Additionally, bubble formation at the electrodes and rf noise pickup has constrained the typical sample geometry to U-tube-like arrangements with a small filling factor and a low resulting NMR sensitivity. Furthermore, the sign of the electrophoretic mobility cancels out in U-tube geometries. We present here a new electrophoretic sample cell based on a vertically placed conventional NMR sample tube with bubble-suppressing palladium metal as electrode material. A suitable radiofrequency filter design prevents noise pickup by the NMR sample coil from the high-voltage leads which extend into the sensitive sample volume. Hence, the obtained signal-to-noise ratio of this cell is one order of magnitude higher than that of our previous U-tube cells. Permitted by the retention of the sign of the displacement-related signal phase in the new cell design, an experimental approach is described where bulk flow effects by electro-osmosis and/or thermal convection are compensated through parallel monitoring of a reference signal from a non-charged species in the sample. This approach, together with a CPMG-like pulse train scheme provides a superior first-order cancellation of non-electrophoretic bulk flow effects.

  8. Interplay between Fe 3d and Ce 4f magnetism and Kondo interaction in CeFeAs(1-x)P(x)O probed by 75As and 31P NMR.

    PubMed

    Sarkar, R; Baenitz, M; Jesche, A; Geibel, C; Steglich, F

    2012-04-01

    A detailed (31)P (I = 1/2) and (75)As (I = 3/2) NMR study on polycrystalline CeFeAs(1-x)P(x)O alloys is presented. The magnetism of CeFeAsO changes drastically upon P substitution on the As site. CeFePO is a heavy fermion system without long-range order whereas CeFeAsO exhibits an Fe 3d SDW type of ordering accompanied by a structural transition from tetragonal (TT) to orthorhombic (OT) structure. Furthermore, Ce 4f(1) orders antiferromagnetically (AFM) at low temperature. At the critical concentration where the Fe magnetism is diminished the Ce-Ce interaction changes to a ferromagnetic (FM) type of ordering. Three representative samples of the CeFeAs(1-x)P(x)O (x = 0.05, 0.3 and 0.9) series are systematically investigated. (1) For the x = 0.05 alloy a drastic change of the linewidth at 130 K indicates the AFM-SDW type of ordering of Fe and the structural change from the TT to the OT phase. The linewidth roughly measures the internal field in the ordered state and the transition is most likely first order. The small and nearly constant shift from (31)P and (75)As NMR suggests the presence of competing hyperfine interactions between the nuclear spins and the 4f and 3d ions of Ce and Fe. (2) For the x = 0.3 alloy, the evolution of the Fe-SDW type of order takes place at around 70 K corroborating the results of bulk measurement and μSR. Here we found evidence for phase separation of paramagnetic and magnetic SDW phases. (3) In contrast to the heavy fermion CeFePO for the x = 0.9 alloy a phase transition is found at 2 K. The field-dependent NMR shift gives evidence of FM ordering. Above the ordering the spin-lattice relaxation rate (31)(1/T(1)) shows unconventional, non-Korringa-like behaviour which indicates a complex interplay of Kondo and FM fluctuations. PMID:22407024

  9. iVirtualWorld: A Domain-Oriented End-User Development Environment for Building 3D Virtual Chemistry Experiments

    ERIC Educational Resources Information Center

    Zhong, Ying

    2013-01-01

    Virtual worlds are well-suited for building virtual laboratories for educational purposes to complement hands-on physical laboratories. However, educators may face technical challenges because developing virtual worlds requires skills in programming and 3D design. Current virtual world building tools are developed for users who have programming…

  10. Constructing a large-scale 3D Geologic Model for Analysis of the Non-Proliferation Experiment

    SciTech Connect

    Wagoner, J; Myers, S

    2008-04-09

    We have constructed a regional 3D geologic model of the southern Great Basin, in support of a seismic wave propagation investigation of the 1993 Nonproliferation Experiment (NPE) at the Nevada Test Site (NTS). The model is centered on the NPE and spans longitude -119.5{sup o} to -112.6{sup o} and latitude 34.5{sup o} to 39.8{sup o}; the depth ranges from the topographic surface to 150 km below sea level. The model includes the southern half of Nevada, as well as parts of eastern California, western Utah, and a portion of northwestern Arizona. The upper crust is constrained by both geologic and geophysical studies, while the lower crust and upper mantle are constrained by geophysical studies. The mapped upper crustal geologic units are Quaternary basin fill, Tertiary deposits, pre-Tertiary deposits, intrusive rocks of all ages, and calderas. The lower crust and upper mantle are parameterized with 5 layers, including the Moho. Detailed geologic data, including surface maps, borehole data, and geophysical surveys, were used to define the geology at the NTS. Digital geologic outcrop data were available for both Nevada and Arizona, whereas geologic maps for California and Utah were scanned and hand-digitized. Published gravity data (2km spacing) were used to determine the thickness of the Cenozoic deposits and thus estimate the depth of the basins. The free surface is based on a 10m lateral resolution DEM at the NTS and a 90m lateral resolution DEM elsewhere. Variations in crustal thickness are based on receiver function analysis and a framework compilation of reflection/refraction studies. We used Earthvision (Dynamic Graphics, Inc.) to integrate the geologic and geophysical information into a model of x,y,z,p nodes, where p is a unique integer index value representing the geologic unit. For seismic studies, the geologic units are mapped to specific seismic velocities. The gross geophysical structure of the crust and upper mantle is taken from regional surface

  11. The Synthesis and Proton NMR Spectrum of Methyl 7-Cycloheptatrienylacetate: An Advanced Undergraduate Laboratory Experiment.

    ERIC Educational Resources Information Center

    Jurch, G. R., Jr.; And Others

    1980-01-01

    Describes an advanced undergraduate laboratory experiment designed to give the senior chemistry student an opportunity to apply several synthetic and purification techniques as well as possibilities for the application of NMR spectroscopy. (CS)

  12. Imidazole as a pH Probe: An NMR Experiment for the General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Hagan, William J., Jr.; Edie, Dennis L.; Cooley, Linda B.

    2007-01-01

    The analysis describes an NMR experiment for the general chemistry laboratory, which employs an unknown imidazole solution to measure the pH values. The described mechanism can also be used for measuring the acidity within the isolated cells.

  13. 3D Simulation as a Learning Environment for Acquiring the Skill of Self-Management: An Experience Involving Spanish University Students of Education

    ERIC Educational Resources Information Center

    Cela-Ranilla, Jose María; Esteve-Gonzalez, Vanessa; Esteve-Mon, Francesc; Gisbert-Cervera, Merce

    2014-01-01

    In this study we analyze how 57 Spanish university students of Education developed a learning process in a virtual world by conducting activities that involved the skill of self-management. The learning experience comprised a serious game designed in a 3D simulation environment. Descriptive statistics and non-parametric tests were used in the…

  14. Determination of Spin-Lattice Relaxation of Time Using (Super 13)C NMR: An Undergraduate Physical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Gasyna, Zbigniew L.; Jurkiewicz, Antoni

    2004-01-01

    An experiment designed for the physical chemistry laboratory where (super 13)C NMR is applied to determine the spin-lattice relaxation time for carbon atoms in n-hexanol is proposed. It is concluded that students learn the principles and concepts of NMR spectroscopy as well as dynamic NMR experiments.

  15. Proton-detected 3D 1H/13C/1H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    NASA Astrophysics Data System (ADS)

    Zhang, Rongchun; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-10-01

    A proton-detected 3D 1H/13C/1H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of 13C-1H connectivities, and proximities of 13C-1H and 1H-1H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including 1H-1H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) 1H/1H and 2D 13C/1H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of 1H-1H proximity and 13C-1H connectivity. In addition, the 2D (F1/F2) 1H/13C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of 1H-1H dipolar couplings, enables the measurement of proximities between 13C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of 1H-1H-13C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ṡ H2O ṡ HCl demonstrate the efficiency of the 3D experiment.

  16. Citrus Quality Control: An NMR/MRI Problem-Based Experiment

    ERIC Educational Resources Information Center

    Erhart, Sarah E.; McCarrick, Robert M.; Lorigan, Gary A.; Yezierski, Ellen J.

    2016-01-01

    An experiment seated in an industrial context can provide an engaging framework and unique learning opportunity for an upper-division physical chemistry laboratory. An experiment that teaches NMR/MRI through a problem-based quality control of citrus products was developed. In this experiment, using a problem-based learning (PBL) approach, students…

  17. Next-generation seismic experiments - II: wide-angle, multi-azimuth, 3-D, full-waveform inversion of sparse field data

    NASA Astrophysics Data System (ADS)

    Morgan, Joanna; Warner, Michael; Arnoux, Gillean; Hooft, Emilie; Toomey, Douglas; VanderBeek, Brandon; Wilcock, William

    2016-02-01

    3-D full-waveform inversion (FWI) is an advanced seismic imaging technique that has been widely adopted by the oil and gas industry to obtain high-fidelity models of P-wave velocity that lead to improvements in migrated images of the reservoir. Most industrial applications of 3-D FWI model the acoustic wavefield, often account for the kinematic effect of anisotropy, and focus on matching the low-frequency component of the early arriving refractions that are most sensitive to P-wave velocity structure. Here, we have adopted the same approach in an application of 3-D acoustic, anisotropic FWI to an ocean-bottom-seismometer (OBS) field data set acquired across the Endeavour oceanic spreading centre in the northeastern Pacific. Starting models for P-wave velocity and anisotropy were obtained from traveltime tomography; during FWI, velocity is updated whereas anisotropy is kept fixed. We demonstrate that, for the Endeavour field data set, 3-D FWI is able to recover fine-scale velocity structure with a resolution that is 2-4 times better than conventional traveltime tomography. Quality assurance procedures have been employed to monitor each step of the workflow; these are time consuming but critical to the development of a successful inversion strategy. Finally, a suite of checkerboard tests has been performed which shows that the full potential resolution of FWI can be obtained if we acquire a 3-D survey with a slightly denser shot and receiver spacing than is usual for an academic experiment. We anticipate that this exciting development will encourage future seismic investigations of earth science targets that would benefit from the superior resolution offered by 3-D FWI.

  18. Experimental and Theoretical Limits on Pulse Quality in Silicon NMR Experiments

    NASA Astrophysics Data System (ADS)

    Ramos, Rona

    2005-03-01

    Previous NMR experiments on Silicon involving multiple pulses showed long lived spin echoes [A.E. Dementyev, D. Li, K. MacLean, S.E. Barrett, Phys. Rev. B, 68, 153302 (2003)], an anomalous behavior that disagrees with conventional NMR theory. The application of several pulses to a many spin system warrants the understanding of pulse quality in fine detail. A series of experiments to improve the pulse characteristics and to approach the limit of delta function, spatially homogeneous pulses were performed. These experiments and detailed calculations of the pulse fields involved will be discussed, as well as the implications in understanding the anomalous long lived behavior of previous experiments.

  19. Initial Validation and Clinical Experience with 3D Optical-Surface-Guided Whole Breast Irradiation of Breast Cancer

    PubMed Central

    Li, S.; DeWeese, T.; Movsas, B.; Frassica, Deborah; Liu, Dezhi; Kim, Jinkoo; Chen, Qing; Walker, Eleanor

    2015-01-01

    We had introduced 3D optical surface-guided radiotherapy (SGRT) of the breast cancer (BC). We then initiated the feasibility, accuracy, and precision studies of stereovision in detection of any breast displacement through the course of treatment for total thirty breasts undertaken whole breast irradiation (WBI). In the SGRT, CT-based plan data were parsed into an in-house computer program through which the reference surfaces were generated in 3D video format. When patients were positioned on treatment Tables, real-time stereovisions were rapidly acquired while the live surface tracking shown steady thorax motion. The real-time surface images were automatically aligned with the reference surface and detected shape and location changes of the breast were online corrected through the Table and beam adjustments. Accumulated dose to each patient was computed according to the frequency distribution of the measured breast locations during beam on time. Application of SGRT had diminished large skin-marking errors of >5-mm and daily breast-setup errors of >10-mm that occurred on half of cases. Accuracy (mean) and precision (two standard deviations) of the breast displacements across the tangential field edges in the (U, V) directions were improved from (−0.5 ± 8.8, 2.2 ± 10.8) mm in conventional setup to (0.4 ± 4.6, 0.7 ± 4.4) mm in the final position while intra-fractional motion contributed only (0.1 ± 2.8, 0.0 ± 2.2) mm in free breathing. Dose uniformity and coverage to targets had both been increased by up to 10% and the lung or heart intersections have been decreased by half of those volumes if they were irradiated at the initial positions. SGRT of BC appears to be feasible regardless of skin tones, as fast as a snapshot for 3D imaging, and very accurate and precise for daily setup of flexible breast targets. Importantly, the technique allows us to verify the breast shape and position during beam-on time. PMID:22181332

  20. 3D COMSOL Simulations for Thermal Deflection of HFIR Fuel Plate in the "Cheverton-Kelley" Experiments

    SciTech Connect

    Jain, Prashant K; Freels, James D; Cook, David Howard

    2012-08-01

    Three dimensional simulation capabilities are currently being developed at Oak Ridge National Laboratory using COMSOL Multiphysics, a finite element modeling software, to investigate thermal expansion of High Flux Isotope Reactor (HFIR) s low enriched uranium fuel plates. To validate simulations, 3D models have also been developed for the experimental setup used by Cheverton and Kelley in 1968 to investigate the buckling and thermal deflections of HFIR s highly enriched uranium fuel plates. Results for several simulations are presented in this report, and comparisons with the experimental data are provided when data are available. A close agreement between the simulation results and experimental findings demonstrates that the COMSOL simulations are able to capture the thermal expansion physics accurately and that COMSOL could be deployed as a predictive tool for more advanced computations at realistic HFIR conditions to study temperature-induced fuel plate deflection behavior.

  1. NMR experiments on a three-dimensional vibrofluidized granular medium

    NASA Astrophysics Data System (ADS)

    Huan, Chao; Yang, Xiaoyu; Candela, D.; Mair, R. W.; Walsworth, R. L.

    2004-04-01

    A three-dimensional granular system fluidized by vertical container vibrations was studied using pulsed field gradient NMR coupled with one-dimensional magnetic resonance imaging. The system consisted of mustard seeds vibrated vertically at 50 Hz, and the number of layers Nl⩽4 was sufficiently low to achieve a nearly time-independent granular fluid. Using NMR, the vertical profiles of density and granular temperature were directly measured, along with the distributions of vertical and horizontal grain velocities. The velocity distributions showed modest deviations from Maxwell-Boltzmann statistics, except for the vertical velocity distribution near the sample bottom, which was highly skewed and non-Gaussian. Data taken for three values of Nl and two dimensionless accelerations Γ=15,18 were fitted to a hydrodynamic theory, which successfully models the density and temperature profiles away from the vibrating container bottom. A temperature inversion near the free upper surface is observed, in agreement with predictions based on the hydrodynamic parameter μ which is nonzero only in inelastic systems.

  2. Development of fast patient position verification software using 2D-3D image registration and its clinical experience.

    PubMed

    Mori, Shinichiro; Kumagai, Motoki; Miki, Kentaro; Fukuhara, Riki; Haneishi, Hideaki

    2015-09-01

    To improve treatment workflow, we developed a graphic processing unit (GPU)-based patient positional verification software application and integrated it into carbon-ion scanning beam treatment. Here, we evaluated the basic performance of the software. The algorithm provides 2D/3D registration matching using CT and orthogonal X-ray flat panel detector (FPD) images. The participants were 53 patients with tumors of the head and neck, prostate or lung receiving carbon-ion beam treatment. 2D/3D-ITchi-Gime (ITG) calculation accuracy was evaluated in terms of computation time and registration accuracy. Registration calculation was determined using the similarity measurement metrics gradient difference (GD), normalized mutual information (NMI), zero-mean normalized cross-correlation (ZNCC), and their combination. Registration accuracy was dependent on the particular metric used. Representative examples were determined to have target registration error (TRE) = 0.45 ± 0.23 mm and angular error (AE) = 0.35 ± 0.18° with ZNCC + GD for a head and neck tumor; TRE = 0.12 ± 0.07 mm and AE = 0.16 ± 0.07° with ZNCC for a pelvic tumor; and TRE = 1.19 ± 0.78 mm and AE = 0.83 ± 0.61° with ZNCC for lung tumor. Calculation time was less than 7.26 s.The new registration software has been successfully installed and implemented in our treatment process. We expect that it will improve both treatment workflow and treatment accuracy. PMID:26081313

  3. Development of fast patient position verification software using 2D-3D image registration and its clinical experience

    PubMed Central

    Mori, Shinichiro; Kumagai, Motoki; Miki, Kentaro; Fukuhara, Riki; Haneishi, Hideaki

    2015-01-01

    To improve treatment workflow, we developed a graphic processing unit (GPU)-based patient positional verification software application and integrated it into carbon-ion scanning beam treatment. Here, we evaluated the basic performance of the software. The algorithm provides 2D/3D registration matching using CT and orthogonal X-ray flat panel detector (FPD) images. The participants were 53 patients with tumors of the head and neck, prostate or lung receiving carbon-ion beam treatment. 2D/3D-ITchi-Gime (ITG) calculation accuracy was evaluated in terms of computation time and registration accuracy. Registration calculation was determined using the similarity measurement metrics gradient difference (GD), normalized mutual information (NMI), zero-mean normalized cross-correlation (ZNCC), and their combination. Registration accuracy was dependent on the particular metric used. Representative examples were determined to have target registration error (TRE) = 0.45 ± 0.23 mm and angular error (AE) = 0.35 ± 0.18° with ZNCC + GD for a head and neck tumor; TRE = 0.12 ± 0.07 mm and AE = 0.16 ± 0.07° with ZNCC for a pelvic tumor; and TRE = 1.19 ± 0.78 mm and AE = 0.83 ± 0.61° with ZNCC for lung tumor. Calculation time was less than 7.26 s.The new registration software has been successfully installed and implemented in our treatment process. We expect that it will improve both treatment workflow and treatment accuracy. PMID:26081313

  4. Comparing hepatic 2D and 3D magnetic resonance elastography methods in a clinical setting – Initial experiences

    PubMed Central

    Forsgren, Mikael F.; Norén, Bengt; Kihlberg, Johan; Dahlqvist Leinhard, Olof; Kechagias, Stergios; Lundberg, Peter

    2015-01-01

    Purpose Continuous monitoring of liver fibrosis progression in patients is not feasible with the current diagnostic golden standard (needle biopsy). Recently, magnetic resonance elastography (MRE) has emerged as a promising method for such continuous monitoring. Since there are different MRE methods that could be used in a clinical setting there is a need to investigate whether measurements produced by these MRE methods are comparable. Hence, the purpose of this pilot study was to evaluate whether the measurements of the viscoelastic properties produced by 2D (stiffness) and 3D (elasticity and ‘Gabs,Elastic’) MRE are comparable. Materials and methods Seven patients with diffuse or suspect diffuse liver disease were examined in the same day with the two MRE methods. 2D MRE was performed using an acoustic passive transducer, with a 1.5 T GE 450 W MR system. 3D MRE was performed using an electromagnetic active transducer, with a 1.5 T Philips Achieva MR system. Finally, mean viscoelastic values were extracted from the same anatomical region for both methods by an experienced radiologist. Results Stiffness correlated well with the elasticity, R2 = 0.96 (P < 0.001; slope = 1.08, intercept = 0.61 kPa), as well as with ‘Gabs,Elastic’ R2 = 0.96 (P < 0.001; slope = 0.95, intercept = 0.28 kPa). Conclusion This pilot study shows that different MRE methods can produce comparable measurements of the viscoelastic properties of the liver. The existence of such comparable measurements is important, both from a clinical as well as a research perspective, since it allows for equipment-independent monitoring of disease progression. PMID:26937438

  5. Dose optimization in gynecological 3D image based interstitial brachytherapy using martinez universal perineal interstitial template (MUPIT) -an institutional experience

    PubMed Central

    Sharma, Pramod Kumar; Sharma, Praveen Kumar; Swamidas, Jamema V; Mahantshetty, Umesh; Deshpande, D. D.; Manjhi, Jayanand; Rai, D V

    2014-01-01

    The aim of this study was to evaluate the dose optimization in 3D image based gynecological interstitial brachytherapy using Martinez Universal Perineal Interstitial Template (MUPIT). Axial CT image data set of 20 patients of gynecological cancer who underwent external radiotherapy and high dose rate (HDR) interstitial brachytherapy using MUPIT was employed to delineate clinical target volume (CTV) and organs at risk (OARs). Geometrical and graphical optimization were done for optimum CTV coverage and sparing of OARs. Coverage Index (CI), dose homogeneity index (DHI), overdose index (OI), dose non-uniformity ratio (DNR), external volume index (EI), conformity index (COIN) and dose volume parameters recommended by GEC-ESTRO were evaluated. The mean CTV, bladder and rectum volume were 137 ± 47cc, 106 ± 41cc and 50 ± 25cc, respectively. Mean CI, DHI and DNR were 0.86 ± 0.03, 0.69 ± 0.11 and 0.31 ± 0.09, while the mean OI, EI, and COIN were 0.08 ± 0.03, 0.07 ± 0.05 and 0.79 ± 0.05, respectively. The estimated mean CTV D90 was 76 ± 11Gy and D100 was 63 ± 9Gy. The different dosimetric parameters of bladder D2cc, D1cc and D0.1cc were 76 ± 11Gy, 81 ± 14Gy, and 98 ± 21Gy and of rectum/recto-sigmoid were 80 ± 17Gy, 85 ± 13Gy, and 124 ± 37Gy, respectively. Dose optimization yields superior coverage with optimal values of indices. Emerging data on 3D image based brachytherapy with reporting and clinical correlation of DVH parameters outcome is enterprizing and provides definite assistance in improving the quality of brachytherapy implants. DVH parameter for urethra in gynecological implants needs to be defined further. PMID:25190999

  6. NMR Experiments on a Three-Dimensional Vibrofluidized Granular Medium

    NASA Astrophysics Data System (ADS)

    Huan, Chao; Yang, Xiaoyu; Candela, D.; Mair, R. W.; Walsworth, R. L.

    2003-03-01

    We have used MRI/PFG NMR methods to measure the density and granular temperature profiles for three-dimensional samples of mustard seeds fluidized by 50 Hz vertical vibration. Data were taken for several values of the bed depth and the vibration acceleration, and jointly fit to a hydrodynamic theory for granular fluids. The fit is qualitatively accurate, apart from a region immediately adjacent to the vibrating cell bottom where the grain velocity distribution is markedly non-Gaussian. In the upper portion of the sample the granular temperature increases with height despite the fact that energy input comes only from below. This corresponds to a heat current flowing opposite the temperature gradient, an effect which is predicted by the hydrodynamic theory.

  7. NMR Hole-Burning Experiments on Superionic Conductor Glasses

    NASA Astrophysics Data System (ADS)

    Kawamura, J.; Kuwata, N.; Hattori, T.

    2004-04-01

    Inhomogeneity is an inherent nature of glass, which is the density and concentration fluctuation frozen at glass transition temperature. The inhomogeneity of the glass plays significant role in so called superionic conductor glasses (SIG), since the mobile ions seek to move through energetically favorable paths. The localization of mobile ions in SIG near the 2nd glass transition is a remaining issue, where the trapping, percolation and many-body interactions are playing the roles. In order to investigate the trapping process in SIG, the authors have applied 109Ag NMR Hole-Burning technique to AgI containing SIG glasses. By using this technique, the slowing down process of the site-exchange rates between different sites were evaluated.

  8. Structural Isomer Identification via NMR: A Nuclear Magnetic Resonance Experiment for Organic, Analytical, or Physical Chemistry.

    ERIC Educational Resources Information Center

    Szafran, Zvi

    1985-01-01

    Background information, procedures used, and typical results obtained are provided for an experiment that examines the ability of nuclear magnetic resonance (NMR) to distinguish between structural isomers via resonance multiplicities and chemical shifts. Reasons for incorporating the experiment into organic, analytical, or physical chemistry…

  9. Accuracy of 3D volumetric image registration based on CT, MR and PET/CT phantom experiments.

    PubMed

    Li, Guang; Xie, Huchen; Ning, Holly; Citrin, Deborah; Capala, Jacek; Maass-Moreno, Roberto; Guion, Peter; Arora, Barbara; Coleman, Norman; Camphausen, Kevin; Miller, Robert W

    2008-01-01

    Registration is critical for image-based treatment planning and image-guided treatment delivery. Although automatic registration is available, manual, visual-based image fusion using three orthogonal planar views (3P) is always employed clinically to verify and adjust an automatic registration result. However, the 3P fusion can be time consuming, observer dependent, as well as prone to errors, owing to the incomplete 3-dimensional (3D) volumetric image representations. It is also limited to single-pixel precision (the screen resolution). The 3D volumetric image registration (3DVIR) technique was developed to overcome these shortcomings. This technique introduces a 4th dimension in the registration criteria beyond the image volume, offering both visual and quantitative correlation of corresponding anatomic landmarks within the two registration images, facilitating a volumetric image alignment, and minimizing potential registration errors. The 3DVIR combines image classification in real-time to select and visualize a reliable anatomic landmark, rather than using all voxels for alignment. To determine the detection limit of the visual and quantitative 3DVIR criteria, slightly misaligned images were simulated and presented to eight clinical personnel for interpretation. Both of the criteria produce a detection limit of 0.1 mm and 0.1 degree. To determine the accuracy of the 3DVIR method, three imaging modalities (CT, MR and PET/CT) were used to acquire multiple phantom images with known spatial shifts. Lateral shifts were applied to these phantoms with displacement intervals of 5.0+/-0.1 mm. The accuracy of the 3DVIR technique was determined by comparing the image shifts determined through registration to the physical shifts made experimentally. The registration accuracy, together with precision, was found to be: 0.02+/-0.09 mm for CT/CT images, 0.03+/-0.07 mm for MR/MR images, and 0.03+/-0.35 mm for PET/CT images. This accuracy is consistent with the detection limit

  10. Do you see what I hear: experiments in multi-channel sound and 3D visualization for network monitoring?

    NASA Astrophysics Data System (ADS)

    Ballora, Mark; Hall, David L.

    2010-04-01

    Detection of intrusions is a continuing problem in network security. Due to the large volumes of data recorded in Web server logs, analysis is typically forensic, taking place only after a problem has occurred. This paper describes a novel method of representing Web log information through multi-channel sound, while simultaneously visualizing network activity using a 3-D immersive environment. We are exploring the detection of intrusion signatures and patterns, utilizing human aural and visual pattern recognition ability to detect intrusions as they occur. IP addresses and return codes are mapped to an informative and unobtrusive listening environment to act as a situational sound track of Web traffic. Web log data is parsed and formatted using Python, then read as a data array by the synthesis language SuperCollider [1], which renders it as a sonification. This can be done either for the study of pre-existing data sets or in monitoring Web traffic in real time. Components rendered aurally include IP address, geographical information, and server Return Codes. Users can interact with the data, speeding or slowing the speed of representation (for pre-existing data sets) or "mixing" sound components to optimize intelligibility for tracking suspicious activity.

  11. Laser-plasma interaction in ignition relevant plasmas: benchmarking our 3D modelling capabilities versus recent experiments

    SciTech Connect

    Divol, L; Froula, D H; Meezan, N; Berger, R; London, R A; Michel, P; Glenzer, S H

    2007-09-27

    We have developed a new target platform to study Laser Plasma Interaction in ignition-relevant condition at the Omega laser facility (LLE/Rochester)[1]. By shooting an interaction beam along the axis of a gas-filled hohlraum heated by up to 17 kJ of heater beam energy, we were able to create a millimeter-scale underdense uniform plasma at electron temperatures above 3 keV. Extensive Thomson scattering measurements allowed us to benchmark our hydrodynamic simulations performed with HYDRA [1]. As a result of this effort, we can use with much confidence these simulations as input parameters for our LPI simulation code pF3d [2]. In this paper, we show that by using accurate hydrodynamic profiles and full three-dimensional simulations including a realistic modeling of the laser intensity pattern generated by various smoothing options, fluid LPI theory reproduces the SBS thresholds and absolute reflectivity values and the absence of measurable SRS. This good agreement was made possible by the recent increase in computing power routinely available for such simulations.

  12. Use of 3D simulations to investigate the effect of grooves on the surface of a plate impact experiment

    NASA Astrophysics Data System (ADS)

    Church, P. D.; Townsley, R.; Fishpool, D.; Proud, W. G.

    2006-08-01

    Recent studies have demonstrated that the surface finish for a plate impact specimen has little influence on the Hugoniot stress attained in it, as obtained from a uniaxial strain loading scenario [1]. However, the surface finish did clearly affect the rise time of the gauge trace due to local inhomogenieties in the wave structure. The Eulerian hydrocode GRIM3D has been used to investigate the detailed wave profiles obtained in copper to explain and quantify these effects. The simulations have been used to compare the Hugoniot stress, rise times and general wave structure in the specimen and compared with idealised an equivalent 1D loading case. An attempt is also made to identify the critical groove depth and width before the wave profile is significantly affected compared to the 1D case. This is important since some specimens are difficult to prepare to very high tolerances. The results are discussed in terms of material response, numerics and with a recommendation for further work.

  13. Implementation of 3d Tools and Immersive Experience Interaction for Supporting Learning in a Library-Archive Environment. Visions and Challenges

    NASA Astrophysics Data System (ADS)

    Angeletaki, A.; Carrozzino, M.; Johansen, S.

    2013-07-01

    In this paper we present an experimental environment of 3D books combined with a game application that has been developed by a collaboration project between the Norwegian University of Science and Technology in Trondheim, Norway the NTNU University Library, and the Percro laboratory of Santa Anna University in Pisa, Italy. MUBIL is an international research project involving museums, libraries and ICT academy partners aiming to develop a consistent methodology enabling the use of Virtual Environments as a metaphor to present manuscripts content through the paradigms of interaction and immersion, evaluating different possible alternatives. This paper presents the results of the application of two prototypes of books augmented with the use of XVR and IL technology. We explore immersive-reality design strategies in archive and library contexts for attracting new users. Our newly established Mubil-lab has invited school classes to test the books augmented with 3D models and other multimedia content in order to investigate whether the immersion in such environments can create wider engagement and support learning. The metaphor of 3D books and game designs in a combination allows the digital books to be handled through a tactile experience and substitute the physical browsing. In this paper we present some preliminary results about the enrichment of the user experience in such environment.

  14. Europeana and 3D

    NASA Astrophysics Data System (ADS)

    Pletinckx, D.

    2011-09-01

    The current 3D hype creates a lot of interest in 3D. People go to 3D movies, but are we ready to use 3D in our homes, in our offices, in our communication? Are we ready to deliver real 3D to a general public and use interactive 3D in a meaningful way to enjoy, learn, communicate? The CARARE project is realising this for the moment in the domain of monuments and archaeology, so that real 3D of archaeological sites and European monuments will be available to the general public by 2012. There are several aspects to this endeavour. First of all is the technical aspect of flawlessly delivering 3D content over all platforms and operating systems, without installing software. We have currently a working solution in PDF, but HTML5 will probably be the future. Secondly, there is still little knowledge on how to create 3D learning objects, 3D tourist information or 3D scholarly communication. We are still in a prototype phase when it comes to integrate 3D objects in physical or virtual museums. Nevertheless, Europeana has a tremendous potential as a multi-facetted virtual museum. Finally, 3D has a large potential to act as a hub of information, linking to related 2D imagery, texts, video, sound. We describe how to create such rich, explorable 3D objects that can be used intuitively by the generic Europeana user and what metadata is needed to support the semantic linking.

  15. An experiment to study the effects of space flight cells of mesenchymal origin in the new model 3D-graft in vitro

    NASA Astrophysics Data System (ADS)

    Volova, Larissa

    One of the major health problems of the astronauts are disorders of the musculoskeletal system, which determines the relevance of studies of the effect of space flight factors on osteoblastic and hondroblastic cells in vitro. An experiment to study the viability and proliferative activity of cells of mesenchymal origin on culture: chondroblasts and dermal fibroblasts was performed on SC "BION -M" № 1 with scientific equipment " BIOKONT -B ." To study the effect of space flight conditions in vitro at the cellular level has developed a new model with 3D- graft as allogeneic demineralized spongiosa obtained on technology Lioplast ®. For space and simultaneous experiments in the laboratory of the Institute of Experimental Medicine and Biotechnology Samara State Medical University were obtained from the cell culture of hyaline cartilage and human skin, which have previously been grown, and then identified by morphological and immunohistochemical methods. In the experiment, they were seeded on the porous 3D- graft (controlled by means of scanning electron and confocal microscopy) and cultured in full growth medium. After completion of the flight of spacecraft "BION -M" № 1 conducted studies of biological objects using a scanning electron microscope (JEOL JSM-6390A Analysis Station, Japan), confocal microscopy and LDH - test. According to the results of the experiment revealed that after a 30- day flight of the cells not only retained vitality, but also during the flight actively proliferate, and their number has increased by almost 8 times. In synchronous experiment, all the cells died by this date. The experimentally confirmed the adequacy of the proposed model 3D- graft in studying the effect of space flight on the morphological and functional characteristics of cells in vitro.

  16. Investigation of Steven Impact Test Using a Transportation Hook Projectile with Gauged Experiments and 3D Modeling

    SciTech Connect

    Vandersall, K S; Murty, S S; Chidester, S K; Forbes, J W; Garcia, F; Greenwood, D W; Tarver, C M

    2003-07-02

    The Steven Impact Test and associated modeling offer valuable practical predictions for evaluating numerous safety scenarios involving low velocity impact of energetic materials by different projectile geometries. One such scenario is the impact of energetic material by a transportation hook during shipping, which offers complexity because of the irregular hook projectile shape. Experiments were performed using gauged Steven Test targets with PBX9404 impacted by a transportation hook projectile to compliment previous non-gauged experiments that established an impact threshold of approximately 69 m/s. Modeling of these experiments was performed with LS-DYNA code using an Ignition and Growth reaction criteria with a friction term. Comparison of the experiment to the model shows reasonable agreement with some details requiring more attention. The experimental results (including carbon resistor gauge records), model calculations, and a discussion of the dominant reaction mechanisms in light of comparisons between experiment and model will be presented.

  17. 3D thermal stress analysis of WIPP (Waste Isolation Pilot Plant) Room T RH TRU (Remote Handled Transuranic) experiments

    SciTech Connect

    Argueello, J.G.; Beraun, R.; Molecke, M.A.

    1989-08-01

    A three-dimensional finite element thermal stress analysis of the RH TRU experiments in WIPP Room T has been performed. This analysis aids in the interpretation of the borehole closure results being obtained from the Room T experiments and helps in assessing potential performance impacts in a typical storage room, during the waste retrieval period. Computed results are presented and compared to available in situ data, and a qualitative agreement between measured and computed closures is seen. 9 refs., 10 figs.

  18. 3-D radiative transfer in large-eddy simulations - experiences coupling the TenStream solver to the UCLA-LES

    NASA Astrophysics Data System (ADS)

    Jakub, Fabian; Mayer, Bernhard

    2016-04-01

    The recently developed 3-D TenStream radiative transfer solver was integrated into the University of California, Los Angeles large-eddy simulation (UCLA-LES) cloud-resolving model. This work documents the overall performance of the TenStream solver as well as the technical challenges of migrating from 1-D schemes to 3-D schemes. In particular the employed Monte Carlo spectral integration needed to be reexamined in conjunction with 3-D radiative transfer. Despite the fact that the spectral sampling has to be performed uniformly over the whole domain, we find that the Monte Carlo spectral integration remains valid. To understand the performance characteristics of the coupled TenStream solver, we conducted weak as well as strong-scaling experiments. In this context, we investigate two matrix preconditioner: geometric algebraic multigrid preconditioning (GAMG) and block Jacobi incomplete LU (ILU) factorization and find that algebraic multigrid preconditioning performs well for complex scenes and highly parallelized simulations. The TenStream solver is tested for up to 4096 cores and shows a parallel scaling efficiency of 80-90 % on various supercomputers. Compared to the widely employed 1-D delta-Eddington two-stream solver, the computational costs for the radiative transfer solver alone increases by a factor of 5-10.

  19. Effects of radiation damping for biomolecular NMR experiments in solution: a hemisphere concept for water suppression

    PubMed Central

    Ishima, Rieko

    2016-01-01

    Abundant solvent nuclear spins, such as water protons in aqueous solution, cause radiation damping in NMR experiments. It is important to know how the effect of radiation damping appears in high-resolution protein NMR because macromolecular studies always require very high magnetic field strengths with a highly sensitive NMR probe that can easily cause radiation damping. Here, we show the behavior of water magnetization after a pulsed-field gradient (PFG) using nutation experiments at 900 MHz with a cryogenic probe: when water magnetization is located in the upper hemisphere (having +Z component, parallel to the external magnetic field), dephasing of the magnetization by a PFG effectively suppresses residual water magnetization in the transverse plane. In contrast, when magnetization is located in the lower hemisphere (having −Z component), the small residual transverse component remaining after a PFG is still sufficient to induce radiation damping. Based on this observation, we designed 1H-15N HSQC experiments in which water magnetization is maintained in the upper hemisphere, but not necessarily along Z, and compared them with the conventional experiments, in which water magnetization is inverted during the t1 period. The result demonstrates moderate gain of signal-to-noise ratio, 0–28%. Designing the experiments such that water magnetization is maintained in the upper hemisphere allows shorter pulses to be used compared to the complete water flip-back and, thereby, is useful as a building block of protein NMR pulse programs in solution. PMID:27524944

  20. Shimming of a Magnet for Calibration of NMR Probes for the Muon g-2 Experiment

    NASA Astrophysics Data System (ADS)

    Bielajew, Rachel

    2013-10-01

    The Muon g-2 Experiment at Fermilab aims to measure the anomalous magnetic moment aμ ≡ (g-2)/2 of the muon to the precision of 0.14 parts per million. This experimental value of aμ can then be compared to the similarly precise theoretical predictions of the Standard Model in order to test the completeness of the model. The value of aμ is extracted from muons precessing in a magnetic field. The magnetic field will be measured with a set of 400 Nuclear Magnetic Resonance (NMR) probes, which have the ability to measure the field to a precision of tens of parts per billion. Before the Muon g-2 Experiment can take place, new NMR probes must be designed, built, and tested using a 1.45 Tesla test magnet at the University of Washington Center for Experimental Nuclear Physics and Astrophysics (CENPA). In order to achieve a significant signal from NMR probes, the magnetic field in which the probes are immersed must be extremely uniform. The existing magnet at CENPA has an approximately linear gradient in magnetic field of about 1 Gauss per centimeter in the smoothest direction. A pair of adjacent square Helmholtz coils was designed and built to create a linear gradient in order to cancel the existing gradient. The length of the NMR signals improved with the implementation of the coils. The results of the addition of the coils to the magnet on the signals from the NMR probes will be presented.

  1. Euro3D Science Conference

    NASA Astrophysics Data System (ADS)

    Walsh, J. R.

    2004-02-01

    The Euro3D RTN is an EU funded Research Training Network to foster the exploitation of 3D spectroscopy in Europe. 3D spectroscopy is a general term for spectroscopy of an area of the sky and derives its name from its two spatial + one spectral dimensions. There are an increasing number of instruments which use integral field devices to achieve spectroscopy of an area of the sky, either using lens arrays, optical fibres or image slicers, to pack spectra of multiple pixels on the sky (``spaxels'') onto a 2D detector. On account of the large volume of data and the special methods required to reduce and analyse 3D data, there are only a few centres of expertise and these are mostly involved with instrument developments. There is a perceived lack of expertise in 3D spectroscopy spread though the astronomical community and its use in the armoury of the observational astronomer is viewed as being highly specialised. For precisely this reason the Euro3D RTN was proposed to train young researchers in this area and develop user tools to widen the experience with this particular type of data in Europe. The Euro3D RTN is coordinated by Martin M. Roth (Astrophysikalisches Institut Potsdam) and has been running since July 2002. The first Euro3D science conference was held in Cambridge, UK from 22 to 23 May 2003. The main emphasis of the conference was, in keeping with the RTN, to expose the work of the young post-docs who are funded by the RTN. In addition the team members from the eleven European institutes involved in Euro3D also presented instrumental and observational developments. The conference was organized by Andy Bunker and held at the Institute of Astronomy. There were over thirty participants and 26 talks covered the whole range of application of 3D techniques. The science ranged from Galactic planetary nebulae and globular clusters to kinematics of nearby galaxies out to objects at high redshift. Several talks were devoted to reporting recent observations with newly

  2. 3d-3d correspondence revisited

    NASA Astrophysics Data System (ADS)

    Chung, Hee-Joong; Dimofte, Tudor; Gukov, Sergei; Sułkowski, Piotr

    2016-04-01

    In fivebrane compactifications on 3-manifolds, we point out the importance of all flat connections in the proper definition of the effective 3d {N}=2 theory. The Lagrangians of some theories with the desired properties can be constructed with the help of homological knot invariants that categorify colored Jones polynomials. Higgsing the full 3d theories constructed this way recovers theories found previously by Dimofte-Gaiotto-Gukov. We also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.

  3. An NMR Study of Isotope Effect on Keto-Enol Tautomerization: A Physical Organic Chemistry Experiment

    ERIC Educational Resources Information Center

    Atkinson, D.; Chechik, V.

    2004-01-01

    Isotope substitution often affects the rate of an organic reaction and can be used to reveal the underlying mechanism. A series of experiments that use (super 1)H NMR to determine primary and secondary isotope effects, activation parameters, and the regioselectivity of butanone enolization are described.

  4. NMR Determination of Hydrogen Bond Thermodynamics in a Simple Diamide: A Physical Chemistry Experiment

    ERIC Educational Resources Information Center

    Morton, Janine G.; Joe, Candice L.; Stolla, Massiel C.; Koshland, Sophia R.; Londergan, Casey H.; Schofield, Mark H.

    2015-01-01

    Variable temperature NMR spectroscopy is used to determine the ?H° and ?S° of hydrogen bond formation in a simple diamide. In this two- or three-day experiment, students synthesize N,N'-dimethylmalonamide, dimethylsuccinamide, dimethylglutaramide, or dimethyladipamide from methylamine and the corresponding diester (typically in 50% recrystallized…

  5. Direct (13)C-detected NMR experiments for mapping and characterization of hydrogen bonds in RNA.

    PubMed

    Fürtig, Boris; Schnieders, Robbin; Richter, Christian; Zetzsche, Heidi; Keyhani, Sara; Helmling, Christina; Kovacs, Helena; Schwalbe, Harald

    2016-03-01

    In RNA secondary structure determination, it is essential to determine whether a nucleotide is base-paired and not. Base-pairing of nucleotides is mediated by hydrogen bonds. The NMR characterization of hydrogen bonds relies on experiments correlating the NMR resonances of exchangeable protons and can be best performed for structured parts of the RNA, where labile hydrogen atoms are protected from solvent exchange. Functionally important regions in RNA, however, frequently reveal increased dynamic disorder which often leads to NMR signals of exchangeable protons that are broadened beyond (1)H detection. Here, we develop (13)C direct detected experiments to observe all nucleotides in RNA irrespective of whether they are involved in hydrogen bonds or not. Exploiting the self-decoupling of scalar couplings due to the exchange process, the hydrogen bonding behavior of the hydrogen bond donor of each individual nucleotide can be determined. Furthermore, the adaption of HNN-COSY experiments for (13)C direct detection allows correlations of donor-acceptor pairs and the localization of hydrogen-bond acceptor nucleotides. The proposed (13)C direct detected experiments therefore provide information about molecular sites not amenable by conventional proton-detected methods. Such information makes the RNA secondary structure determination by NMR more accurate and helps to validate secondary structure predictions based on bioinformatics. PMID:26852414

  6. Unassisted 3D camera calibration

    NASA Astrophysics Data System (ADS)

    Atanassov, Kalin; Ramachandra, Vikas; Nash, James; Goma, Sergio R.

    2012-03-01

    With the rapid growth of 3D technology, 3D image capture has become a critical part of the 3D feature set on mobile phones. 3D image quality is affected by the scene geometry as well as on-the-device processing. An automatic 3D system usually assumes known camera poses accomplished by factory calibration using a special chart. In real life settings, pose parameters estimated by factory calibration can be negatively impacted by movements of the lens barrel due to shaking, focusing, or camera drop. If any of these factors displaces the optical axes of either or both cameras, vertical disparity might exceed the maximum tolerable margin and the 3D user may experience eye strain or headaches. To make 3D capture more practical, one needs to consider unassisted (on arbitrary scenes) calibration. In this paper, we propose an algorithm that relies on detection and matching of keypoints between left and right images. Frames containing erroneous matches, along with frames with insufficiently rich keypoint constellations, are detected and discarded. Roll, pitch yaw , and scale differences between left and right frames are then estimated. The algorithm performance is evaluated in terms of the remaining vertical disparity as compared to the maximum tolerable vertical disparity.

  7. Deformation of plate boundaries associated with subduction of continental margins: insights from 3D thermo-mechanical laboratory experiments (Invited)

    NASA Astrophysics Data System (ADS)

    Boutelier, D. A.; Cruden, A. R.

    2013-12-01

    The general sequence of tectonic events leading to the formation of collisional mountain belts includes closure of an ocean basin through oceanic subduction, subduction of a continental margin and deformation of the lithosphere. Laboratory experiments reproducing this fundamental chain of events investigate the three-dimensional and thermo-mechanical mechanics of the associated processes. Experiments reveal that this basic scenario can be considerably modified at the beginning of continental subduction. The buoyancy of the subducted passive margin causes a strong horizontal compression in the plates, which can lead to the formation of new thrusts in the magmatic arc or back-arc spreading center if the collision was preceded by oceanic subduction in the tensile regime. Several complex scenarios can develop, depending on the polarity of the new thrusts. If the new thrust in the arc or back-arc has the same polarity as the main subduction zone, the entire area located between the trench and the new thrust can be subducted, leaving little evidence of its former existence in the geological record. This process also modifies the thermal and mechanical regime of the subducted lithosphere, resulting in lower temperatures in the subducted crust thereby allowing deeper subduction. If the polarity of the new thrust is opposite to that of the existing subduction zone, the two slabs collide at depth, with the new slab generally cutting through the pre-existing slab. The distribution of convergence across several thrusts necessarily leads to a reduction of the convergence rate on the pre-existing subduction thrust. This leads to a reduction of the viscous coupling supporting the subducted lithosphere, causing an increase in downdip tension in the slab, and a rapid decrease of the slab strength due to temperature increase, eventually leading to slab break-off. Finally, the deformation caused by the subduction of the buoyant continental crust is fundamentally three

  8. Dynamic nuclear polarization experiments at 14.1 T for solid-state NMR.

    PubMed

    Matsuki, Yoh; Takahashi, Hiroki; Ueda, Keisuke; Idehara, Toshitaka; Ogawa, Isamu; Toda, Mitsuru; Akutsu, Hideo; Fujiwara, Toshimichi

    2010-06-14

    Instrumentation for high-field dynamic nuclear polarization (DNP) at 14.1 T was developed to enhance the nuclear polarization for NMR of solids. The gyrotron generated 394.5 GHz submillimeter (sub-mm) wave with a power of 40 W in the second harmonic TE(0,6) mode. The sub-mm wave with a power of 0.5-3 W was transmitted to the sample in a low-temperature DNP-NMR probe with a smooth-wall circular waveguide system. The (1)H polarization enhancement factor of up to about 10 was observed for a (13)C-labeled compound with nitroxyl biradical TOTAPOL. The DNP enhancement was confirmed by the static magnetic field dependence of the NMR signal amplitude at 90 K. Improvements of the high-field DNP experiments are discussed. PMID:20518128

  9. High-Resolution B Dot Probe for Measuring 3D Magnetic Fields in the MOCHI Labjet Experiment

    NASA Astrophysics Data System (ADS)

    Azuara Rosales, Manuel; von der Linden, Jens; You, Setthivoine

    2014-10-01

    The MOCHI Labjet experiment will use a triple electrode planar plasma gun to explore canonical helicity transport in laboratory astrophysical jets. Canonical helicity transport suggests that destabilizing magnetic energy can be converted into stabilizing shear flows at two-fluid spatial scales li ~c/wpi . A high-resolution . B probe array, capable of measuring magnetic field dynamics at length and time scales important to canonical helicity transport is being built. The probe array consists of three tridents, made of 5 . 13 mm OD and 4 . 32 mm ID stainless steel tubes of 102 cm length, enclosing a total of 1215 commercial inductor chips with a three axis spatial resolution of 11 mm. The average value for the effective NA of each inductor chip is 1 . 21 .10-4 m2. The probe array lays in a plane perpendicular to the jet, and is axially translatable. This work is supported by US DOE Grant DE-SC0010340.

  10. Superstatistics model for T₂ distribution in NMR experiments on porous media.

    PubMed

    Correia, M D; Souza, A M; Sinnecker, J P; Sarthour, R S; Santos, B C C; Trevizan, W; Oliveira, I S

    2014-07-01

    We propose analytical functions for T2 distribution to describe transverse relaxation in high- and low-fields NMR experiments on porous media. The method is based on a superstatistics theory, and allows to find the mean and standard deviation of T2, directly from measurements. It is an alternative to multiexponential models for data decay inversion in NMR experiments. We exemplify the method with q-exponential functions and χ(2)-distributions to describe, respectively, data decay and T2 distribution on high-field experiments of fully water saturated glass microspheres bed packs, sedimentary rocks from outcrop and noisy low-field experiment on rocks. The method is general and can also be applied to biological systems. PMID:24819425

  11. Forest Inventory Attribute Estimation Using Airborne Laser Scanning, Aerial Stereo Imagery, Radargrammetry and Interferometry-Finnish Experiences of the 3d Techniques

    NASA Astrophysics Data System (ADS)

    Holopainen, M.; Vastaranta, M.; Karjalainen, M.; Karila, K.; Kaasalainen, S.; Honkavaara, E.; Hyyppä, J.

    2015-03-01

    Three-dimensional (3D) remote sensing has enabled detailed mapping of terrain and vegetation heights. Consequently, forest inventory attributes are estimated more and more using point clouds and normalized surface models. In practical applications, mainly airborne laser scanning (ALS) has been used in forest resource mapping. The current status is that ALS-based forest inventories are widespread, and the popularity of ALS has also raised interest toward alternative 3D techniques, including airborne and spaceborne techniques. Point clouds can be generated using photogrammetry, radargrammetry and interferometry. Airborne stereo imagery can be used in deriving photogrammetric point clouds, as very-high-resolution synthetic aperture radar (SAR) data are used in radargrammetry and interferometry. ALS is capable of mapping both the terrain and tree heights in mixed forest conditions, which is an advantage over aerial images or SAR data. However, in many jurisdictions, a detailed ALS-based digital terrain model is already available, and that enables linking photogrammetric or SAR-derived heights to heights above the ground. In other words, in forest conditions, the height of single trees, height of the canopy and/or density of the canopy can be measured and used in estimation of forest inventory attributes. In this paper, first we review experiences of the use of digital stereo imagery and spaceborne SAR in estimation of forest inventory attributes in Finland, and we compare techniques to ALS. In addition, we aim to present new implications based on our experiences.

  12. Parameterized signal calibration for NMR cryoporometry experiment without external standard

    NASA Astrophysics Data System (ADS)

    Stoch, Grzegorz; Krzyżak, Artur T.

    2016-08-01

    In cryoporometric experiments non-linear effects associated with the sample and the probehead bring unwanted contributions to the total signal along with the change of temperature. The elimination of these influences often occurs with the help of an intermediate measurement of a separate liquid sample. In this paper we suggest an alternative approach under certain assumptions, solely based on data from the target experiment. In order to obtain calibration parameters the method uses all of these raw data points. Its reliability is therefore enhanced as compared to other methods based on lesser number of data points. Presented approach is automatically valid for desired temperature range. The need for intermediate measurement is removed and parameters for such a calibration are naturally adapted to the individual sample-probehead combination.

  13. Scrape-off layer modeling of radiative divertor and high heat flux experiments on D3-D

    NASA Astrophysics Data System (ADS)

    Campbell, R. B.; Petrie, T. W.; Hill, D. N.

    1992-03-01

    We use a new multispecies 1-D fluid code, NEWT-1D, to model DIII-D scrape-off layer (SOL) behavior during radiative divertor and high heat flux experiments. The separatrix location and the width of the SOL are uncertain, and affect the comparison of the data in important ways. The model agrees with many of the experimental measurements for a particular prescription for the separatrix location. The model cannot explain the recent data on the separatrix T(sub i) with a conventional picture of ion and electron power flows across the separatrix. Radial transport of particles and heat in some form is required to explain the peak heat flux data before and after gas puffing. For argon puffing in the private flux region, entrainment is poor in the steady state. The calculations suggest that strike point argon puffing in a slot divertor geometry results in substantially better entrainment. Self-consistent, steady-state solutions with radiated powers up to 80 percent of the SOL power input are obtained in 1-D. We discuss significant radial effects which warrant the development of a code which can treat strongly radiating impurities in 2-D geometries.

  14. Tooteko: a Case Study of Augmented Reality for AN Accessible Cultural Heritage. Digitization, 3d Printing and Sensors for AN Audio-Tactile Experience

    NASA Astrophysics Data System (ADS)

    D'Agnano, F.; Balletti, C.; Guerra, F.; Vernier, P.

    2015-02-01

    Tooteko is a smart ring that allows to navigate any 3D surface with your finger tips and get in return an audio content that is relevant in relation to the part of the surface you are touching in that moment. Tooteko can be applied to any tactile surface, object or sheet. However, in a more specific domain, it wants to make traditional art venues accessible to the blind, while providing support to the reading of the work for all through the recovery of the tactile dimension in order to facilitate the experience of contact with art that is not only "under glass." The system is made of three elements: a high-tech ring, a tactile surface tagged with NFC sensors, and an app for tablet or smartphone. The ring detects and reads the NFC tags and, thanks to the Tooteko app, communicates in wireless mode with the smart device. During the tactile navigation of the surface, when the finger reaches a hotspot, the ring identifies the NFC tag and activates, through the app, the audio track that is related to that specific hotspot. Thus a relevant audio content relates to each hotspot. The production process of the tactile surfaces involves scanning, digitization of data and 3D printing. The first experiment was modelled on the facade of the church of San Michele in Isola, made by Mauro Codussi in the late fifteenth century, and which marks the beginning of the Renaissance in Venice. Due to the absence of recent documentation on the church, the Correr Museum asked the Laboratorio di Fotogrammetria to provide it with the aim of setting up an exhibition about the order of the Camaldolesi, owners of the San Michele island and church. The Laboratorio has made the survey of the facade through laser scanning and UAV photogrammetry. The point clouds were the starting point for prototypation and 3D printing on different supports. The idea of the integration between a 3D printed tactile surface and sensors was born as a final thesis project at the Postgraduate Mastercourse in Digital

  15. Two dimensional exchange NMR experiments of natural porous media with portable Halbach-Magnets

    NASA Astrophysics Data System (ADS)

    Haber, Agnes; Haber-Pohlmeier, Sabina; Casanova, Federico; Blümich, Bernhard

    2010-05-01

    The characterization of pore space and connectivity in soils of different textures is one topic within Cluster A, Partial Project A1. For this purpose low field mobile NMR became a powerful tool following the development of portable NMR sensors for well logging. By now there are numerous applications of mobile NMR in materials analysis and chemical engineering where, for example, unique information about the structure, morphology and dynamics of polymers is obtained, and new opportunities are provided for geophysical investigations [1]. In particular, dynamic information can be retrieved by two-dimensional Laplace exchange NMR, where the initial NMR relaxation environment is correlated with the final relaxation environment of molecules migrating from one environment to the other within a so-called NMR mixing time tm [2]. Relaxation-relaxation exchange experiments were performed with saturated and un-saturated soil samples at low and moderately inhomogeneous magnetic field with a simple, portable Halbach-Magnet. By conducting NMR transverse relaxation exchange experiments for several mixing times and inverting the results to 2D T2 distributions (similar to joint probability densities of transverse relaxation times T2) with the help of inverse 2D Laplace Transformation (ILT), we observed characteristic exchange processes: Soils consisting mainly of silt and clay components show predominantly exchange between the smaller pores at mixing times of some milliseconds. In addition, there exists also weaker exchange with the larger pores observable for longer mixing time. In contrast to that fine sand exhibits 2D T2 distributions with no exchange processes which can be interpreted that water molecules move within pores of the same size class. These results will be compared to the exchange behaviour under unsaturated conditions. References: 1. B. Blümich, J. Mauler, A. Haber, J. Perlo, E. Danieli, F. Casanova, Mobile NMR for geophysical analysis and material testing

  16. A magnetic gradient induced force in NMR restricted diffusion experiments.

    PubMed

    Ghadirian, Bahman; Stait-Gardner, Tim; Castillo, Reynaldo; Price, William S

    2014-03-28

    We predict that the phase cancellation of a precessing magnetisation field carried by a diffusing species in a bounded geometry under certain nuclear magnetic resonance pulsed magnetic field gradient sequences results in a small force over typically micrometre length scales. Our calculations reveal that the total magnetisation energy in a pore under the influence of a pulsed gradient will be distance-dependent thus resulting in a force acting on the boundary. It is shown that this effect of the magnetisation of diffusing particles will appear as either an attractive or repulsive force depending on the geometry of the pore and magnetic properties of the material. A detailed analysis is performed for the case of a pulsed gradient spin-echo experiment on parallel planes. It is shown that the force decays exponentially in terms of the spin-spin relaxation. The proof is based on classical electrodynamics. An application of this effect to soft matter is suggested. PMID:24697421

  17. A magnetic gradient induced force in NMR restricted diffusion experiments

    NASA Astrophysics Data System (ADS)

    Ghadirian, Bahman; Stait-Gardner, Tim; Castillo, Reynaldo; Price, William S.

    2014-03-01

    We predict that the phase cancellation of a precessing magnetisation field carried by a diffusing species in a bounded geometry under certain nuclear magnetic resonance pulsed magnetic field gradient sequences results in a small force over typically micrometre length scales. Our calculations reveal that the total magnetisation energy in a pore under the influence of a pulsed gradient will be distance-dependent thus resulting in a force acting on the boundary. It is shown that this effect of the magnetisation of diffusing particles will appear as either an attractive or repulsive force depending on the geometry of the pore and magnetic properties of the material. A detailed analysis is performed for the case of a pulsed gradient spin-echo experiment on parallel planes. It is shown that the force decays exponentially in terms of the spin-spin relaxation. The proof is based on classical electrodynamics. An application of this effect to soft matter is suggested.

  18. A magnetic gradient induced force in NMR restricted diffusion experiments

    SciTech Connect

    Ghadirian, Bahman; Stait-Gardner, Tim; Castillo, Reynaldo; Price, William S.

    2014-03-28

    We predict that the phase cancellation of a precessing magnetisation field carried by a diffusing species in a bounded geometry under certain nuclear magnetic resonance pulsed magnetic field gradient sequences results in a small force over typically micrometre length scales. Our calculations reveal that the total magnetisation energy in a pore under the influence of a pulsed gradient will be distance-dependent thus resulting in a force acting on the boundary. It is shown that this effect of the magnetisation of diffusing particles will appear as either an attractive or repulsive force depending on the geometry of the pore and magnetic properties of the material. A detailed analysis is performed for the case of a pulsed gradient spin-echo experiment on parallel planes. It is shown that the force decays exponentially in terms of the spin-spin relaxation. The proof is based on classical electrodynamics. An application of this effect to soft matter is suggested.

  19. A Smart Cage With Uniform Wireless Power Distribution in 3D for Enabling Long-Term Experiments With Freely Moving Animals.

    PubMed

    Mirbozorgi, S Abdollah; Bahrami, Hadi; Sawan, Mohamad; Gosselin, Benoit

    2016-04-01

    This paper presents a novel experimental chamber with uniform wireless power distribution in 3D for enabling long-term biomedical experiments with small freely moving animal subjects. The implemented power transmission chamber prototype is based on arrays of parallel resonators and multicoil inductive links, to form a novel and highly efficient wireless power transmission system. The power transmitter unit includes several identical resonators enclosed in a scalable array of overlapping square coils which are connected in parallel to provide uniform power distribution along x and y. Moreover, the proposed chamber uses two arrays of primary resonators, facing each other, and connected in parallel to achieve uniform power distribution along the z axis. Each surface includes 9 overlapped coils connected in parallel and implemented into two layers of FR4 printed circuit board. The chamber features a natural power localization mechanism, which simplifies its implementation and ease its operation by avoiding the need for active detection and control mechanisms. A single power surface based on the proposed approach can provide a power transfer efficiency (PTE) of 69% and a power delivered to the load (PDL) of 120 mW, for a separation distance of 4 cm, whereas the complete chamber prototype provides a uniform PTE of 59% and a PDL of 100 mW in 3D, everywhere inside the chamber with a size of 27×27×16 cm(3). PMID:26011866

  20. 3-D radiative transfer in large-eddy simulations - experiences coupling the TenStream solver to the UCLA-LES

    NASA Astrophysics Data System (ADS)

    Jakub, F.; Mayer, B.

    2015-10-01

    The recently developed three-dimensional TenStream radiative transfer solver was integrated into the UCLA-LES cloud resolving model. This work documents the overall performance of the TenStream solver as well as the technical challenges migrating from 1-D schemes to 3-D schemes. In particular the employed Monte-Carlo-Spectral-Integration needed to be re-examined in conjunction with 3-D radiative transfer. Despite the fact that the spectral sampling has to be performed uniformly over the whole domain, we find that the Monte-Carlo-Spectral-Integration remains valid. To understand the performance characteristics of the coupled TenStream solver, we conducted weak- as well as strong-scaling experiments. In this context, we investigate two matrix-preconditioner (GAMG and block-jacobi ILU) and find that algebraic multigrid preconditioning performs well for complex scenes and highly parallelized simulations. The TenStream solver is tested for up to 4096 cores and shows a parallel scaling efficiency of 80-90 % on various supercomputers. Compared to the widely employed 1-D δ-Eddington two-stream solver, the computational costs for the radiative transfer solver alone increases by a factor of five to ten.

  1. Realtime infiltration process monitoring in macroporous soil - a plot-scale experiment accompanied by high-resolution time-lapse 3D GPR

    NASA Astrophysics Data System (ADS)

    Jackisch, Conrad; Allroggen, Niklas

    2016-04-01

    Infiltration and quick vertical redistribution of event water through rapid subsurface flow in soil structures is one of the key issues in hydrology. Although the importance of preferential flow is broadly recognised, our theories, observation techniques and modelling approaches lose grounds when the assumption of well-mixed states in REVs collapses. To characterise the combination of advective and diffusive flow is especially challenging. We have shown in earlier studies that a combination of TDR monitoring, dye- and salt-tracer recovery and time-lapse 3D GPR in irrigation experiments provides means to characterise infiltration dynamics at the plot- and hillslope-scale also in highly structured soils. We pinpointed that the spatial and temporal resolution requires special attention and improvement - particularly owing to the facts of high velocity (10‑3 ms‑1) of advective flow and small scale (10‑2 m) of the respective flow structures. We present insights from a novel technique of continuous high-resolution time-lapse 3D GPR measurements during and after a plot-scale (1 m x 1 m) irrigation experiment. Continuous TDR soil moisture measurements, dye tracer excavation and salt-tracer samples are used as qualitative and quantitative references. While classical infiltration experiments either look at spatial patterns or temporal dynamics at singular gauges, we highlight the advantage of combining both to achieve a more complete image of the infiltration process. Although operating at the limits of the techniques this setup enables non-invasive observation of preferential flow processes in the field and allows to explore and characterise macropore matrix exchange.

  2. 3D Imaging.

    ERIC Educational Resources Information Center

    Hastings, S. K.

    2002-01-01

    Discusses 3 D imaging as it relates to digital representations in virtual library collections. Highlights include X-ray computed tomography (X-ray CT); the National Science Foundation (NSF) Digital Library Initiatives; output peripherals; image retrieval systems, including metadata; and applications of 3 D imaging for libraries and museums. (LRW)

  3. Hydrolysis Studies and Quantitative Determination of Aluminum Ions Using [superscript 27]Al NMR: An Undergraduate Analytical Chemistry Experiment

    ERIC Educational Resources Information Center

    Curtin, Maria A.; Ingalls, Laura R.; Campbell, Andrew; James-Pederson, Magdalena

    2008-01-01

    This article describes a novel experiment focused on metal ion hydrolysis and the equilibria related to metal ions in aqueous systems. Using [superscript 27]Al NMR, the students become familiar with NMR spectroscopy as a quantitative analytical tool for the determination of aluminum by preparing a standard calibration curve using standard aluminum…

  4. NMR analysis of weak molecular interactions using slice-selective experiments via study of concentration gradients in agar gels.

    PubMed

    Mitrev, Y; Simova, S; Jeannerat, D

    2016-04-01

    Weak molecular interactions can be localized and quantified using a single NMR experiment analysing concentration gradients generated in agar gels. The spectra from various cross-sections along the gradient were obtained using a slice-selective pulse sequence realisable with standard NMR equipment. PMID:27009847

  5. In situ and real time characterization of interface microstructure in 3D alloy solidification: benchmark microgravity experiments in the DECLIC-Directional Solidification Insert on ISS

    NASA Astrophysics Data System (ADS)

    Ramirez, A.; Chen, L.; Bergeon, N.; Billia, B.; Gu, Jiho; Trivedi, R.

    2012-01-01

    Dynamical microstructure formation and selection during solidification processing, which has a major influence on the properties in the use of elaborated materials, occur during the growth process. In situ observation of the solid-liquid interface morphology evolution is thus necessary. On earth, convection effects dominate in bulk samples and may strongly interact with microstructure dynamics and alter pattern characterization. Series of solidification experiments with 3D cylindrical sample geometry were conducted in succinonitrile (SCN) -0.24 wt%camphor (model transparent system), in microgravity environment in the Directional Solidification Insert of the DECLIC facility of CNES (French space agency) on the International Space Station (ISS). Microgravity enabled homogeneous values of control parameters over the whole interface allowing the obtaining of homogeneous patterns suitable to get quantitative benchmark data. First analyses of the characteristics of the pattern (spacing, order, etc.) and of its dynamics in microgravity will be presented.

  6. Effective one-body dynamics in multiple-quantum NMR experiments

    NASA Astrophysics Data System (ADS)

    Rufeil-Fiori, E.; Sánchez, C. M.; Oliva, F. Y.; Pastawski, H. M.; Levstein, P. R.

    2009-03-01

    A suitable NMR experiment in a one-dimensional dipolar coupled spin system allows one to reduce the natural many-body dynamics into effective one-body dynamics. We verify this in a polycrystalline sample of hydroxyapatite (HAp) by monitoring the excitation of NMR many-body superposition states: the multiple-quantum coherences. The observed effective one-dimensionality of HAp relies on the quasi-one-dimensional structure of the dipolar coupled network that, as we show here, is dynamically enhanced by the quantum Zeno effect. Decoherence is also probed through a Loschmidt echo experiment, where the time reversal is implemented on the double-quantum Hamiltonian, HDQ∝Ii+Ij++Ii-Ij- . We contrast the decoherence of adamantane, a standard three-dimensional system, with that of HAp. While the first shows an abrupt Fermi-type decay, HAp presents a smooth exponential law.

  7. Determination of Kinetic Parameters within a Single Nonisothermal On-Flow Experiment by Nanoliter NMR Spectroscopy.

    PubMed

    Gomez, M Victoria; Rodriguez, Antonio M; de la Hoz, Antonio; Jimenez-Marquez, Francisco; Fratila, Raluca M; Barneveld, Peter A; Velders, Aldrik H

    2015-10-20

    Conventional methods to determine the kinetic parameters for a certain reaction require multiple, separate isothermal experiments, resulting in time- and material-consuming processes. Here, an approach to determine the kinetic information within a single nonisothermal on-flow experiment is presented, consuming less than 10 μmol of reagents and having a total measuring time of typically 10 min. This approach makes use of a microfluidic NMR chip hyphenated to a continuous-flow microreactor and is based on the capabilities of the NMR chip to analyze subnanomole quantities of material in the 25 nL detection volume. Importantly, useful data are acquired from the microreactor platform in specific isothermal and nonisothermal frames. A model fitting the experimental data enables rapid determination of kinetic parameters, as demonstrated for a library of isoxazole and pyrazole derivatives. PMID:26383715

  8. Using the Flow-3D General Moving Object Model to Simulate Coupled Liquid Slosh - Container Dynamics on the SPHERES Slosh Experiment: Aboard the International Space Station

    NASA Technical Reports Server (NTRS)

    Schulman, Richard; Kirk, Daniel; Marsell, Brandon; Roth, Jacob; Schallhorn, Paul

    2013-01-01

    The SPHERES Slosh Experiment (SSE) is a free floating experimental platform developed for the acquisition of long duration liquid slosh data aboard the International Space Station (ISS). The data sets collected will be used to benchmark numerical models to aid in the design of rocket and spacecraft propulsion systems. Utilizing two SPHERES Satellites, the experiment will be moved through different maneuvers designed to induce liquid slosh in the experiment's internal tank. The SSE has a total of twenty-four thrusters to move the experiment. In order to design slosh generating maneuvers, a parametric study with three maneuvers types was conducted using the General Moving Object (GMO) model in Flow-30. The three types of maneuvers are a translation maneuver, a rotation maneuver and a combined rotation translation maneuver. The effectiveness of each maneuver to generate slosh is determined by the deviation of the experiment's trajectory as compared to a dry mass trajectory. To fully capture the effect of liquid re-distribution on experiment trajectory, each thruster is modeled as an independent force point in the Flow-3D simulation. This is accomplished by modifying the total number of independent forces in the GMO model from the standard five to twenty-four. Results demonstrate that the most effective slosh generating maneuvers for all motions occurs when SSE thrusters are producing the highest changes in SSE acceleration. The results also demonstrate that several centimeters of trajectory deviation between the dry and slosh cases occur during the maneuvers; while these deviations seem small, they are measureable by SSE instrumentation.

  9. Adapting Data Processing To Compare Model and Experiment Accurately: A Discrete Element Model and Magnetic Resonance Measurements of a 3D Cylindrical Fluidized Bed.

    PubMed

    Boyce, Christopher M; Holland, Daniel J; Scott, Stuart A; Dennis, John S

    2013-12-18

    Discrete element modeling is being used increasingly to simulate flow in fluidized beds. These models require complex measurement techniques to provide validation for the approximations inherent in the model. This paper introduces the idea of modeling the experiment to ensure that the validation is accurate. Specifically, a 3D, cylindrical gas-fluidized bed was simulated using a discrete element model (DEM) for particle motion coupled with computational fluid dynamics (CFD) to describe the flow of gas. The results for time-averaged, axial velocity during bubbling fluidization were compared with those from magnetic resonance (MR) experiments made on the bed. The DEM-CFD data were postprocessed with various methods to produce time-averaged velocity maps for comparison with the MR results, including a method which closely matched the pulse sequence and data processing procedure used in the MR experiments. The DEM-CFD results processed with the MR-type time-averaging closely matched experimental MR results, validating the DEM-CFD model. Analysis of different averaging procedures confirmed that MR time-averages of dynamic systems correspond to particle-weighted averaging, rather than frame-weighted averaging, and also demonstrated that the use of Gaussian slices in MR imaging of dynamic systems is valid. PMID:24478537

  10. Adapting Data Processing To Compare Model and Experiment Accurately: A Discrete Element Model and Magnetic Resonance Measurements of a 3D Cylindrical Fluidized Bed

    PubMed Central

    2013-01-01

    Discrete element modeling is being used increasingly to simulate flow in fluidized beds. These models require complex measurement techniques to provide validation for the approximations inherent in the model. This paper introduces the idea of modeling the experiment to ensure that the validation is accurate. Specifically, a 3D, cylindrical gas-fluidized bed was simulated using a discrete element model (DEM) for particle motion coupled with computational fluid dynamics (CFD) to describe the flow of gas. The results for time-averaged, axial velocity during bubbling fluidization were compared with those from magnetic resonance (MR) experiments made on the bed. The DEM-CFD data were postprocessed with various methods to produce time-averaged velocity maps for comparison with the MR results, including a method which closely matched the pulse sequence and data processing procedure used in the MR experiments. The DEM-CFD results processed with the MR-type time-averaging closely matched experimental MR results, validating the DEM-CFD model. Analysis of different averaging procedures confirmed that MR time-averages of dynamic systems correspond to particle-weighted averaging, rather than frame-weighted averaging, and also demonstrated that the use of Gaussian slices in MR imaging of dynamic systems is valid. PMID:24478537

  11. Cooling overall spin temperature: Protein NMR experiments optimized for longitudinal relaxation effects

    NASA Astrophysics Data System (ADS)

    Deschamps, Michaël; Campbell, Iain D.

    2006-02-01

    In experiments performed on protonated proteins at high fields, 80% of the NMR spectrometer time is spent waiting for the 1H atoms to recover their polarization after recording the free induction decay. Selective excitation of a fraction of the protons in a large molecule has previously been shown to lead to faster longitudinal relaxation for the selected protons [K. Pervushin, B. Vögeli, A. Eletsky, Longitudinal 1H relaxation optimization in TROSY NMR spectroscopy, J. Am. Chem. Soc. 124 (2002) 12898-12902; P. Schanda, B. Brutscher, Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds, J. Am. Chem. Soc. 127 (2005) 8014-8015; H.S. Attreya, T. Szyperski, G-matrix Fourier transform NMR spectroscopy for complete protein resonance assignment, Proc. Natl. Acad. Sci. USA 101 (2004) 9642-9647]. The pool of non-selected protons acts as a "thermal bath" and spin-diffusion processes ("flip-flop" transitions) channel the excess energy from the excited pool to the non-selected protons in regions of the molecule where other relaxation processes can dissipate the excess energy. We present here a sensitivity enhanced HSQC sequence (COST-HSQC), based on one selective E-BURP pulse, which can be used on protonated 15N enriched proteins (with or without 13C isotopic enrichment). This experiment is compared to a gradient sensitivity enhanced HSQC with a water flip-back pulse (the water flip-back pulse quenches the spin diffusion between 1H N and 1H α spins). This experiment is shown to have significant advantages in some circumstances. Some observed limitations, namely sample overheating with short recovery delays and complex longitudinal relaxation behaviour are discussed and analysed.

  12. Cooling overall spin temperature: protein NMR experiments optimized for longitudinal relaxation effects.

    PubMed

    Deschamps, Michaël; Campbell, Iain D

    2006-02-01

    In experiments performed on protonated proteins at high fields, 80% of the NMR spectrometer time is spent waiting for the (1)H atoms to recover their polarization after recording the free induction decay. Selective excitation of a fraction of the protons in a large molecule has previously been shown to lead to faster longitudinal relaxation for the selected protons [K. Pervushin, B. Vögeli, A. Eletsky, Longitudinal (1)H relaxation optimization in TROSY NMR spectroscopy, J. Am. Chem. Soc. 124 (2002) 12898-12902; P. Schanda, B. Brutscher, Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds, J. Am. Chem. Soc. 127 (2005) 8014-8015; H.S. Attreya, T. Szyperski, G-matrix Fourier transform NMR spectroscopy for complete protein resonance assignment, Proc. Natl. Acad. Sci. USA 101 (2004) 9642-9647]. The pool of non-selected protons acts as a "thermal bath" and spin-diffusion processes ("flip-flop" transitions) channel the excess energy from the excited pool to the non-selected protons in regions of the molecule where other relaxation processes can dissipate the excess energy. We present here a sensitivity enhanced HSQC sequence (COST-HSQC), based on one selective E-BURP pulse, which can be used on protonated (15)N enriched proteins (with or without (13)C isotopic enrichment). This experiment is compared to a gradient sensitivity enhanced HSQC with a water flip-back pulse (the water flip-back pulse quenches the spin diffusion between (1)H(N) and (1)H(alpha) spins). This experiment is shown to have significant advantages in some circumstances. Some observed limitations, namely sample overheating with short recovery delays and complex longitudinal relaxation behaviour are discussed and analysed. PMID:16249110

  13. Measurements and ALE3D Simulations for Violence in a Scaled Thermal Explosion Experiment with LX-10 and AerMet 100 Steel

    SciTech Connect

    McClelland, M A; Maienschein, J L; Yoh, J J; deHaven, M R; Strand, O T

    2005-06-03

    We completed a Scaled Thermal Explosion Experiment (STEX) and performed ALE3D simulations for the HMX-based explosive, LX-10, confined in an AerMet 100 (iron-cobalt-nickel alloy) vessel. The explosive was heated at 1 C/h until cookoff at 182 C using a controlled temperature profile. During the explosion, the expansion of the tube and fragment velocities were measured with strain gauges, Photonic-Doppler-Velocimeters (PDVs), and micropower radar units. These results were combined to produce a single curve describing 15 cm of tube wall motion. A majority of the metal fragments were captured and cataloged. A fragment size distribution was constructed, and a typical fragment had a length scale of 2 cm. Based on these results, the explosion was considered to be a violent deflagration. ALE3D models for chemical, thermal, and mechanical behavior were developed for the heating and explosive processes. A four-step chemical kinetics model is employed for the HMX while a one-step model is used for the Viton. A pressure-dependent deflagration model is employed during the expansion. The mechanical behavior of the solid constituents is represented by a Steinberg-Guinan model while polynomial and gamma-law expressions are used for the equation of state of the solid and gas species, respectively. A gamma-law model is employed for the air in gaps, and a mixed material model is used for the interface between air and explosive. A Johnson-Cook model with an empirical rule for failure strain is used to describe fracture behavior. Parameters for the kinetics model were specified using measurements of the One-Dimensional-Time-to-Explosion (ODTX), while measurements for burn rate were employed to determine parameters in the burn front model. The ALE3D models provide good predictions for the thermal behavior and time to explosion, but the predicted wall expansion curve is higher than the measured curve. Possible contributions to this discrepancy include inaccuracies in the chemical models

  14. TRACE 3-D documentation

    SciTech Connect

    Crandall, K.R.

    1987-08-01

    TRACE 3-D is an interactive beam-dynamics program that calculates the envelopes of a bunched beam, including linear space-charge forces, through a user-defined transport system. TRACE 3-D provides an immediate graphics display of the envelopes and the phase-space ellipses and allows nine types of beam-matching options. This report describes the beam-dynamics calculations and gives detailed instruction for using the code. Several examples are described in detail.

  15. Computer-intensive simulation of solid-state NMR experiments using SIMPSON

    NASA Astrophysics Data System (ADS)

    Tošner, Zdeněk; Andersen, Rasmus; Stevensson, Baltzar; Edén, Mattias; Nielsen, Niels Chr.; Vosegaard, Thomas

    2014-09-01

    Conducting large-scale solid-state NMR simulations requires fast computer software potentially in combination with efficient computational resources to complete within a reasonable time frame. Such simulations may involve large spin systems, multiple-parameter fitting of experimental spectra, or multiple-pulse experiment design using parameter scan, non-linear optimization, or optimal control procedures. To efficiently accommodate such simulations, we here present an improved version of the widely distributed open-source SIMPSON NMR simulation software package adapted to contemporary high performance hardware setups. The software is optimized for fast performance on standard stand-alone computers, multi-core processors, and large clusters of identical nodes. We describe the novel features for fast computation including internal matrix manipulations, propagator setups and acquisition strategies. For efficient calculation of powder averages, we implemented interpolation method of Alderman, Solum, and Grant, as well as recently introduced fast Wigner transform interpolation technique. The potential of the optimal control toolbox is greatly enhanced by higher precision gradients in combination with the efficient optimization algorithm known as limited memory Broyden-Fletcher-Goldfarb-Shanno. In addition, advanced parallelization can be used in all types of calculations, providing significant time reductions. SIMPSON is thus reflecting current knowledge in the field of numerical simulations of solid-state NMR experiments. The efficiency and novel features are demonstrated on the representative simulations.

  16. Mathematical Modeling and Data Analysis of NMR Experiments using Hyperpolarized 13C Metabolites

    PubMed Central

    Pagès, Guilhem; Kuchel, Philip W.

    2013-01-01

    Rapid-dissolution dynamic nuclear polarization (DNP) has made significant impact in the characterization and understanding of metabolism that occurs on the sub-minute timescale in several diseases. While significant efforts have been made in developing applications, and in designing rapid-imaging radiofrequency (RF) and magnetic field gradient pulse sequences, very few groups have worked on implementing realistic mathematical/kinetic/relaxation models to fit the emergent data. The critical aspects to consider when modeling DNP experiments depend on both nuclear magnetic resonance (NMR) and (bio)chemical kinetics. The former constraints are due to the relaxation of the NMR signal and the application of ‘read’ RF pulses, while the kinetic constraints include the total amount of each molecular species present. We describe the model-design strategy we have used to fit and interpret our DNP results. To our knowledge, this is the first report on a systematic analysis of DNP data. PMID:25114541

  17. Combined (Super 31)P and (Super 1)H NMR Experiments in the Structural Elucidation of Polynuclear Thiolate Complexes

    ERIC Educational Resources Information Center

    Cerrada, Elena; Laguna, Mariano

    2005-01-01

    A facile synthesis of two gold(I) complexes with 1,2-benzenedithiolate ligand and two different bidentate phosphines are described. A detailed sequence of NMR experiments is suggested to determine the structure of the compounds.

  18. A one year 3D oceanic simulation in the North-East Atlantic: application to heat budgets and subduction during the POMME experiment

    NASA Astrophysics Data System (ADS)

    Giordani, H.; Caniaux, G.; Prieur, L.; Paci, A.

    2003-04-01

    A 3D oceanic model derived from a 1D turbulent mixing parameterization (Gaspar et al., 1990) was built in order to evaluate separately the impacts of the different processes on the oceanic mixed layer heat budget and the detrainment-entrainment rates in the Northeastern Atlantic during the POMME experiment (September 2000 - September 2001). The original feature of this model is that the geostrophic dynamics are prescribed from independent altimetric and analyses data. This model is forced by daily surface heat and momentum fluxes derived from satellite data, model outputs and surface turbulent fluxes parameterization. This model is initialized from the hydrological networks collected during the POMME experiment. Two annual cycles (without and with surface fluxes corrections) were simulated between POMME0 (28/09/00) and POMME3 (29/09/01) including two restarts at POMME1 (13/02/01) and POMME2 (04/04/01). Annual heat and subduction budgets are presented. A particular attention is made in regions where strong interactions occur between fronts and eddies and eddies themselves. Particularly, it is shown that subduction can be induced by the evolution of the mesoscale structures.

  19. Experiments performed with bubbly flow in vertical pipes at different flow conditions covering the transition region: simulation by coupling Eulerian, Lagrangian and 3D random walks models

    NASA Astrophysics Data System (ADS)

    Muñoz-Cobo, José; Chiva, Sergio; El Aziz Essa, Mohamed; Mendes, Santos

    2012-08-01

    Two phase flow experiments with different superficial velocities of gas and water were performed in a vertical upward isothermal cocurrent air-water flow column with conditions ranging from bubbly flow, with very low void fraction, to transition flow with some cap and slug bubbles and void fractions around 25%. The superficial velocities of the liquid and the gas phases were varied from 0.5 to 3 m/s and from 0 to 0.6 m/s, respectively. Also to check the effect of changing the surface tension on the previous experiments small amounts of 1-butanol were added to the water. These amounts range from 9 to 75 ppm and change the surface tension. This study is interesting because in real cases the surface tension of the water diminishes with temperature, and with this kind of experiments we can study indirectly the effect of changing the temperature on the void fraction distribution. The following axial and radial distributions were measured in all these experiments: void fraction, interfacial area concentration, interfacial velocity, Sauter mean diameter and turbulence intensity. The range of values of the gas superficial velocities in these experiments covered the range from bubbly flow to the transition to cap/slug flow. Also with transition flow conditions we distinguish two groups of bubbles in the experiments, the small spherical bubbles and the cap/slug bubbles. Special interest was devoted to the transition region from bubbly to cap/slug flow; the goal was to understand the physical phenomena that take place during this transition A set of numerical simulations of some of these experiments for bubbly flow conditions has been performed by coupling a Lagrangian code, that tracks the three dimensional motion of the individual bubbles in cylindrical coordinates inside the field of the carrier liquid, to an Eulerian model that computes the magnitudes of continuous phase and to a 3D random walk model that takes on account the fluctuation in the velocity field of the

  20. A fast field-cycling device for high-resolution NMR: Design and application to spin relaxation and hyperpolarization experiments.

    PubMed

    Kiryutin, Alexey S; Pravdivtsev, Andrey N; Ivanov, Konstantin L; Grishin, Yuri A; Vieth, Hans-Martin; Yurkovskaya, Alexandra V

    2016-02-01

    A device for performing fast magnetic field-cycling NMR experiments is described. A key feature of this setup is that it combines fast switching of the external magnetic field and high-resolution NMR detection. The field-cycling method is based on precise mechanical positioning of the NMR probe with the mounted sample in the inhomogeneous fringe field of the spectrometer magnet. The device enables field variation over several decades (from 100μT up to 7T) within less than 0.3s; progress in NMR probe design provides NMR linewidths of about 10(-3)ppm. The experimental method is very versatile and enables site-specific studies of spin relaxation (NMRD, LLSs) and spin hyperpolarization (DNP, CIDNP, and SABRE) at variable magnetic field and at variable temperature. Experimental examples of such studies are demonstrated; advantages of the experimental method are described and existing challenges in the field are outlined. PMID:26773525

  1. A fast field-cycling device for high-resolution NMR: Design and application to spin relaxation and hyperpolarization experiments

    NASA Astrophysics Data System (ADS)

    Kiryutin, Alexey S.; Pravdivtsev, Andrey N.; Ivanov, Konstantin L.; Grishin, Yuri A.; Vieth, Hans-Martin; Yurkovskaya, Alexandra V.

    2016-02-01

    A device for performing fast magnetic field-cycling NMR experiments is described. A key feature of this setup is that it combines fast switching of the external magnetic field and high-resolution NMR detection. The field-cycling method is based on precise mechanical positioning of the NMR probe with the mounted sample in the inhomogeneous fringe field of the spectrometer magnet. The device enables field variation over several decades (from 100 μT up to 7 T) within less than 0.3 s; progress in NMR probe design provides NMR linewidths of about 10-3 ppm. The experimental method is very versatile and enables site-specific studies of spin relaxation (NMRD, LLSs) and spin hyperpolarization (DNP, CIDNP, and SABRE) at variable magnetic field and at variable temperature. Experimental examples of such studies are demonstrated; advantages of the experimental method are described and existing challenges in the field are outlined.

  2. Conceptual-level workflow modeling of scientific experiments using NMR as a case study

    PubMed Central

    Verdi, Kacy K; Ellis, Heidi JC; Gryk, Michael R

    2007-01-01

    Background Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans in the process when intuition and human reasoning are required. Workflows for experiments also highlight transitions among experimental phases, allowing intermediate results to be verified and supporting the proper handling of semantic mismatches and different file formats among the various tools used in the scientific process. Thus, scientific workflows are important for the modeling and subsequent capture of bioinformatics-related data. While much research has been conducted on the implementation of scientific workflows, the initial process of actually designing and generating the workflow at the conceptual level has received little consideration. Results We propose a structured process to capture scientific workflows at the conceptual level that allows workflows to be documented efficiently, results in concise models of the workflow and more-correct workflow implementations, and provides insight into the scientific process itself. The approach uses three modeling techniques to model the structural, data flow, and control flow aspects of the workflow. The domain of biomolecular structure determination using Nuclear Magnetic Resonance spectroscopy is used to demonstrate the process. Specifically, we show the application of the approach to capture the workflow for the process of conducting biomolecular analysis using Nuclear Magnetic Resonance (NMR) spectroscopy. Conclusion Using the approach, we were able to accurately document, in a short amount of time, numerous steps in the process of conducting an experiment using NMR spectroscopy. The resulting models are correct and precise, as outside validation of the models identified only minor omissions in the models. In addition, the models provide an accurate visual description of the control flow for conducting biomolecular analysis using

  3. Radiochromic 3D Detectors

    NASA Astrophysics Data System (ADS)

    Oldham, Mark

    2015-01-01

    Radiochromic materials exhibit a colour change when exposed to ionising radiation. Radiochromic film has been used for clinical dosimetry for many years and increasingly so recently, as films of higher sensitivities have become available. The two principle advantages of radiochromic dosimetry include greater tissue equivalence (radiologically) and the lack of requirement for development of the colour change. In a radiochromic material, the colour change arises direct from ionising interactions affecting dye molecules, without requiring any latent chemical, optical or thermal development, with important implications for increased accuracy and convenience. It is only relatively recently however, that 3D radiochromic dosimetry has become possible. In this article we review recent developments and the current state-of-the-art of 3D radiochromic dosimetry, and the potential for a more comprehensive solution for the verification of complex radiation therapy treatments, and 3D dose measurement in general.

  4. Molecular Mechanics and Variable-Temperature 1H NMR Studies on N,N-Diethyl-m-toluamide. An Undergraduate NMR and Molecular Modeling Experiment

    NASA Astrophysics Data System (ADS)

    Jensen, Bruce L.; Fort, Raymond C., Jr.

    2001-04-01

    A combination of molecular modeling and variable-temperature NMR experiments is used to analyze the barrier to rotation about the amide bond of N,N-diethyl-m-toluamide (DEET). This approach utilizes the ability of computers to calculate the potential energy of a set of conformations obtained from a dihedral drive around the N-CO bond. The results of this experiment demonstrate a substantial barrier of 15.9 kcal/mol. These data are applied to a set of 1H NMR spectra taken over a range of temperatures from 9 to 85 °C. At very low temperatures the conformation is "locked" and the spectrum displays two sets of triplets and two sets of quartets for the two nonequivalent ethyl groups. However, at high temperature the rapid rotation about the amide linkage produces only one quartet and one triplet, characteristic of two indistinguishable ethyl groups. The experiment offers students hands-on experience with two important laboratory instruments and allows for both qualitative and quantitative analysis of the data. This experiment is scheduled to coincide with lecture discussion of NMR spectroscopy, after the fundamentals of bond rotation have been presented.

  5. OFAI: 3D block tracking for a real-size rockfall experiment in the weathered volcanic context of Tahiti, French Polynesia

    NASA Astrophysics Data System (ADS)

    Dewez, Thomas; Nachbaur, Aude; Mathon, Christian; Sedan, Olivier; Berger, Frédéric; Des Garets, Emmanuel

    2010-05-01

    The Land Management Authority of French Polynesia contracted BRGM to run a real-size rockfall experiment name-coded OFAI in September 2009. The purposes of the experiment are two fold: first observe real-size rock trajectories in a context of variably weathered volcanic rock slopes; and second, use observed rockfall trajectories to calibrate block propagation numerical models (see Mathon et al., EGU 2010, this session). 90 basalt blocks were dropped down a 150-m-long slope made of hard basalt veins, lenses of colluvium and erosion channels covered in blocks of various sizes. Parameters of the experiment concerned the shape (from nearly perfect sphere to elongated cubes) and mass of the blocks (from 300 kg to >5000 kg), and the launching point, in order to bounce the blocks both off stiff basalt veins and colluvium lenses. The presentation addresses the monitoring technique developed to measure block trajectories in 3D and the variables extracted from them. A set of two 50-frame-per-second digital reflex cameras (Panasonic GH1) were installed on two prominent vantage points in order to record block motion in stereoscopy. A series of ground control points, surveyed with centimetre accuracy, served to orient pairs of images in the local topographic reference frame. This enabled the computation of block position at 50 Hz along a section of ca. 30-m-long slope, constrained by the cameras field of view. These results were then processed to extract parameters, such as velocity (horizontal, vertical, rotational, incident and reflected), number of impacts, and height of rebounds in relation with ground cover properties.

  6. Quantitative two-dimensional HSQC experiment for high magnetic field NMR spectrometers

    NASA Astrophysics Data System (ADS)

    Koskela, Harri; Heikkilä, Outi; Kilpeläinen, Ilkka; Heikkinen, Sami

    2010-01-01

    The finite RF power available on carbon channel in proton-carbon correlation experiments leads to non-uniform cross peak intensity response across carbon chemical shift range. Several classes of broadband pulses are available that alleviate this problem. Adiabatic pulses provide an excellent magnetization inversion over a large bandwidth, and very recently, novel phase-modulated pulses have been proposed that perform 90° and 180° magnetization rotations with good offset tolerance. Here, we present a study how these broadband pulses (adiabatic and phase-modulated) can improve quantitative application of the heteronuclear single quantum coherence (HSQC) experiment on high magnetic field strength NMR spectrometers. Theoretical and experimental examinations of the quantitative, offset-compensated, CPMG-adjusted HSQC (Q-OCCAHSQC) experiment are presented. The proposed experiment offers a formidable improvement to the offset performance; 13C offset-dependent standard deviation of the peak intensity was below 6% in range of ±20 kHz. This covers the carbon chemical shift range of 150 ppm, which contains the protonated carbons excluding the aldehydes, for 22.3 T NMR magnets. A demonstration of the quantitative analysis of a fasting blood plasma sample obtained from a healthy volunteer is given.

  7. Bootstrapping 3D fermions

    NASA Astrophysics Data System (ADS)

    Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran

    2016-03-01

    We study the conformal bootstrap for a 4-point function of fermions < ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge C T . We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N . We also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  8. Synthesis-atomic structure-properties relationships in metallic nanoparticles by total scattering experiments and 3D computer simulations: case of Pt-Ru nanoalloy catalysts.

    PubMed

    Prasai, Binay; Ren, Yang; Shan, Shiyao; Zhao, Yinguang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian; Petkov, Valeri

    2015-05-01

    An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N2-H2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the

  9. Spectroscopic separation of (13) C NMR spectra of complex isomeric mixtures by the CSSF-TOCSY-INEPT experiment.

    PubMed

    Yang, Lu; Moreno, Aitor; Fieber, Wolfgang; Brauchli, Robert; Sommer, Horst

    2015-04-01

    Isomeric mixtures from synthetic or natural origins can pose fundamental challenges for their chromatographic separation and spectroscopic identification. A novel 1D selective NMR experiment, chemical shift selective filter (CSSF)-TOCSY-INEPT, is presented that allows the extraction of (13) C NMR subspectra of discrete isomers in complex mixtures without physical separation. This is achieved via CSS excitation of proton signals in the (1) H NMR mixture spectrum, propagation of the selectivity by polarization transfer within coupled (1) H spins, and subsequent relaying of the magnetization from (1) H to (13) C by direct INEPT transfer to generate (13) C NMR subspectra. Simple consolidation of the subspectra yields (13) C NMR spectra for individual isomers. Alternatively, CSSF-INEPT with heteronuclear long-range transfer can correlate the isolated networks of coupled spins and therefore facilitate the reconstruction of the (13) C NMR spectra for isomers containing multiple spin systems. A proof-of-principle validation of the CSSF-TOCSY-INEPT experiment is demonstrated on three mixtures with different spectral and structural complexities. The results show that CSSF-TOCSY-INEPT is a versatile, powerful tool for deconvoluting isomeric mixtures within the NMR tube with unprecedented resolution and offers unique, unambiguous spectral information for structure elucidation. PMID:25616134

  10. Geometric Approximation: A New Computational Approach To Characterize Protein Dynamics from NMR Adiabatic Relaxation Dispersion Experiments.

    PubMed

    Chao, Fa-An; Byrd, R Andrew

    2016-06-15

    A new computational strategy is reported that provides a fast approximation of numerical solutions of differential equations in general. The method is demonstrated with the analysis of NMR adiabatic relaxation dispersion experiments to reveal biomolecular dynamics. When an analytical solution to the theoretical equations describing a physical process is not available, the new approach can significantly accelerate the computational speed of the conventional numerical integration up to 10(5) times. NMR adiabatic relaxation dispersion experiments enhanced with optimized proton-decoupled pulse sequences, although extremely powerful, have previously been refractory to quantitative analysis. Both simulations and experimental validation demonstrate detectable "slow" (microsecond to millisecond) conformational exchange rates from 10(2) to 10(5) s(-1). This greatly expanded time-scale range enables the characterization of a wide array of conformational fluctuations for individual residues, which correlate with biomolecular function and were previously inaccessible. Moreover, the new computational method can be potentially generalized for analysis of new types of relaxation dispersion experiments to characterize the various dynamics of biomolecular systems. PMID:27225523

  11. Using magnetic coupling to implement 1H, 19F, 13C experiments in routine high resolution NMR probes

    NASA Astrophysics Data System (ADS)

    Bowyer, Paul; Finnigan, Jim; Marsden, Brian; Taber, Bob; Zens, Albert

    2015-12-01

    We report in this paper the design of 1H, 19F, 13C circuitry using magnetic coupling which can do on demand experiments where one of the three nuclei is observed and the other two are decoupled. The implementation of this circuitry in routine NMR probes is compared with capacitive coupling methods where it was found that by using magnetic coupling the performance of the routine NMR probe was not impacted by the addition of this circuitry. It is surmised that using this type of circuitry would be highly desirable for those chemists doing routine 19F NMR.

  12. Chromatographic NMR in NMR solvents

    NASA Astrophysics Data System (ADS)

    Carrara, Caroline; Viel, Stéphane; Delaurent, Corinne; Ziarelli, Fabio; Excoffier, Grégory; Caldarelli, Stefano

    2008-10-01

    Recently, it was demonstrated that pseudo-chromatographic NMR experiments could be performed using typical chromatographic solids and solvents. This first setup yielded improved separation of the spectral components of the NMR spectra of mixtures using PFG self-diffusion measurements. The method (dubbed Chromatographic NMR) was successively shown to possess, in favorable cases, superior resolving power on non-functionalized silica, compared to its LC counterpart. To further investigate the applicability of the method, we studied here the feasibility of Chromatographic NMR in common deuterated solvents. Two examples are provided, using deuterated chloroform and water, for homologous compounds soluble in these solvents, namely aromatic molecules and alcohols, respectively.

  13. Synthesis-atomic structure-properties relationships in metallic nanoparticles by total scattering experiments and 3D computer simulations: case of Pt-Ru nanoalloy catalysts

    NASA Astrophysics Data System (ADS)

    Prasai, Binay; Ren, Yang; Shan, Shiyao; Zhao, Yinguang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian; Petkov, Valeri

    2015-04-01

    An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N2-H2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the

  14. Magic angle spinning solid-state NMR experiments for structural characterization of proteins.

    PubMed

    Shi, Lichi; Ladizhansky, Vladimir

    2012-01-01

    Solid-state nuclear magnetic resonance (SSNMR) has become a prominent method in biology and is suitable for the characterization of insoluble proteins and protein aggregates such as amyloid fibrils, membrane-lipid complexes, and precipitated proteins. Often, the initial and the most critical step is to obtain spectroscopic assignments, that is, to determine chemical shifts of individual atoms. The procedures for SSNMR spectroscopic assignments are now well established for small microcrystalline proteins, where high signal-to-noise can be obtained. The sensitivity of the experiments and spectral resolution decrease with the increasing molecular weight, which makes setting SSNMR experiments in large proteins a much more challenging and demanding procedure. Here, we describe the protocol for the most common set of 3D magic angle spinning (MAS) SSNMR experiments. While the procedures described in the text are well known to SSNMR practitioners, we hope they will be of interest to scientists interested in extending their repertoire of biophysical techniques. PMID:22760319

  15. 3D microscope

    NASA Astrophysics Data System (ADS)

    Iizuka, Keigo

    2008-02-01

    In order to circumvent the fact that only one observer can view the image from a stereoscopic microscope, an attachment was devised for displaying the 3D microscopic image on a large LCD monitor for viewing by multiple observers in real time. The principle of operation, design, fabrication, and performance are presented, along with tolerance measurements relating to the properties of the cellophane half-wave plate used in the design.

  16. Monte Carlo simulations of GeoPET experiments: 3D images of tracer distributions (18F, 124I and 58Co) in Opalinus clay, anhydrite and quartz

    NASA Astrophysics Data System (ADS)

    Zakhnini, Abdelhamid; Kulenkampff, Johannes; Sauerzapf, Sophie; Pietrzyk, Uwe; Lippmann-Pipke, Johanna

    2013-08-01

    Understanding conservative fluid flow and reactive tracer transport in soils and rock formations requires quantitative transport visualization methods in 3D+t. After a decade of research and development we established the GeoPET as a non-destructive method with unrivalled sensitivity and selectivity, with due spatial and temporal resolution by applying Positron Emission Tomography (PET), a nuclear medicine imaging method, to dense rock material. Requirements for reaching the physical limit of image resolution of nearly 1 mm are (a) a high-resolution PET-camera, like our ClearPET scanner (Raytest), and (b) appropriate correction methods for scatter and attenuation of 511 keV—photons in the dense geological material. The latter are by far more significant in dense geological material than in human and small animal body tissue (water). Here we present data from Monte Carlo simulations (MCS) reflecting selected GeoPET experiments. The MCS consider all involved nuclear physical processes of the measurement with the ClearPET-system and allow us to quantify the sensitivity of the method and the scatter fractions in geological media as function of material (quartz, Opalinus clay and anhydrite compared to water), PET isotope (18F, 58Co and 124I), and geometric system parameters. The synthetic data sets obtained by MCS are the basis for detailed performance assessment studies allowing for image quality improvements. A scatter correction method is applied exemplarily by subtracting projections of simulated scattered coincidences from experimental data sets prior to image reconstruction with an iterative reconstruction process.

  17. Natural corneal cell-based microenvironment as prerequisite for balanced 3D corneal epithelial morphogenesis: a promising animal experiment-abandoning tool in ophthalmology.

    PubMed

    Schulz, Simon; Beck, David; Laird, Dougal; Steinberg, Thorsten; Tomakidi, Pascal; Reinhard, Thomas; Eberwein, Philipp

    2014-04-01

    To achieve durable recognition as a promising animal experiment-abandoning tool in ophthalmology, in vitro engineered tissue equivalents of the human cornea should exhibit proper morphogenesis. Regarding this issue, we were seeking for the natural cell microenvironment fulfilling the minimum requirements to allow human corneal keratinocytes to develop a balanced epithelial morphology with regular spatial appearance of tissue homeostatic biomarkers. Hence, we established cocultures of 3D cell-based collagen scaffolds comprising immortalized corneal keratinocytes combined with a gradual cornea-derived in vivo-like cell microenvironment, together with immortalized stromal fibroblasts alone (nonholistic) or fibroblasts and immortalized endothelial cells (holistic). With matched non-holistic microenvironments revealing mostly flattened cells and putative apical cell ablation foci at day 6, and 9 in HE stains, holistic counterparts yielded proper epithelial stratification with cell flattening restricted to apical layers. Concordantly, RT(2)-PCR showed a tremendous increase in gene expression for progressive and terminal biomarkers of corneal keratinocyte differentiation, cytokeratin (CK) 12, and filaggrin (FIL), in response to nonholistic environments, while involucrin (INV) was moderately but significantly upregulated. Although visible, this increase was moderate in corneal keratinocytes with a holistic environment. On the protein level, indirect immunofluorescence revealed that only epithelia of holistic environments showed diminishment in CK19, counteracted by CK12 rising over time. This time-dependent progression in differentiation coincided with declined proliferation and tissue-regular focus of differentiation biomarkers inv and fil to suprabasal and apical cell layers. Our novel findings suggest the interplay of native tissue forming cell entities, important for balanced corneal epithelial morphogenesis. In addition, they provide evidence for a holistic cell

  18. Pathways for Learning from 3D Technology

    ERIC Educational Resources Information Center

    Carrier, L. Mark; Rab, Saira S.; Rosen, Larry D.; Vasquez, Ludivina; Cheever, Nancy A.

    2012-01-01

    The purpose of this study was to find out if 3D stereoscopic presentation of information in a movie format changes a viewer's experience of the movie content. Four possible pathways from 3D presentation to memory and learning were considered: a direct connection based on cognitive neuroscience research; a connection through "immersion" in that 3D…

  19. Insights and questions raised from a multi-tracer plot-scale sprinkler experiment with time-lapse 3D GPR in a structured forested soil.

    NASA Astrophysics Data System (ADS)

    Jackisch, Conrad; Sprenger, Matthias; Allroggen, Niklas; van Schaik, Loes; Weiler, Markus; Zehe, Erwin

    2014-05-01

    Stable isotopes appear as ideal tracer commonly applied in preferential flow analyses. At the same time, central assumptions about signature mixing and propagation are founded on effective parameters merging advective and diffusive flow domains. However, in structured soils conditions are often far from well-mixed and some established assumptions may need to be reconsidered. We conducted a multi-tracer sprinkler experiment at a forested hillslope in the Attert Basin in Luxembourg with prevailing geogenic and biogenic preferential flow structures. At plot scale of 1x1 m2 we sprinkled two plots with 50 mm and one plot with 30 mm Brilliant Blue and Bromide enriched water for 1 hour. The experiments were accompanied by a high resolution 3D time-lapse GPR (Ground-Penetrating Radar) survey scanning 3x3 m2 before, directly after sprinkling and before excavation one day after sprinkling. Soil moisture was monitored with a TDR tube probe. Soil profiles were excavated and recorded for dye flow paths and for one medium resolution Bromide profile. In addition one core for pore water stable isotope analysis was taken before the sprinkling as reference and at each plot after sprinkling. We present the results with focus on the found evidence of preferential flow and the signals of the different tracers - especially the stable isotopes. While all other methods clearly show that only minor proportions of the soil took part in the infiltration process and that the sprinkler water has largely advectively propagated to the saprolite layer at about 80-100 cm depth, the stable isotopes signals from the cores indicate more intense interaction between the soil matrix and macropores, especially in the top 50 cm. This leads to the question of how the isotope signal could mix well, when most of the pore-water did not directly interact with the infiltration-water. Further questions arise to the use of tracers in general, due to the known limitations of excavation itself and rather coarse

  20. Spatial reorientation experiments for NMR of solids and partially oriented liquids.

    PubMed

    Martin, Rachel W; Kelly, John E; Collier, Kelsey A

    2015-11-01

    on how motional reorientation experiments can be applied to current problems in chemistry, molecular biology, and materials science, given the many advances in high-field NMR magnets, fast spinning, and sample preparation realized in recent years. PMID:26592947

  1. Multiviewer 3D monitor

    NASA Astrophysics Data System (ADS)

    Kostrzewski, Andrew A.; Aye, Tin M.; Kim, Dai Hyun; Esterkin, Vladimir; Savant, Gajendra D.

    1998-09-01

    Physical Optics Corporation has developed an advanced 3-D virtual reality system for use with simulation tools for training technical and military personnel. This system avoids such drawbacks of other virtual reality (VR) systems as eye fatigue, headaches, and alignment for each viewer, all of which are due to the need to wear special VR goggles. The new system is based on direct viewing of an interactive environment. This innovative holographic multiplexed screen technology makes it unnecessary for the viewer to wear special goggles.

  2. 3D Audio System

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Ames Research Center research into virtual reality led to the development of the Convolvotron, a high speed digital audio processing system that delivers three-dimensional sound over headphones. It consists of a two-card set designed for use with a personal computer. The Convolvotron's primary application is presentation of 3D audio signals over headphones. Four independent sound sources are filtered with large time-varying filters that compensate for motion. The perceived location of the sound remains constant. Possible applications are in air traffic control towers or airplane cockpits, hearing and perception research and virtual reality development.

  3. NMR Backbone Assignment of Large Proteins by Using (13) Cα -Only Triple-Resonance Experiments.

    PubMed

    Wei, Qingtao; Chen, Jiajing; Mi, Juan; Zhang, Jiahai; Ruan, Ke; Wu, Jihui

    2016-07-01

    Nuclear magnetic resonance (NMR) is a powerful tool to interrogate protein structure and dynamics residue by residue. However, the prerequisite chemical-shift assignment remains a bottleneck for large proteins due to the fast relaxation and the frequency degeneracy of the (13) Cα nuclei. Herein, we present a covariance NMR strategy to assign the backbone chemical shifts by using only HN(CO)CA and HNCA spectra that has a high sensitivity even for large proteins. By using the peak linear correlation coefficient (LCC), which is a sensitive probe even for tiny chemical-shift displacements, we correctly identify the fidelity of approximately 92 % cross-peaks in the covariance spectrum, which is thus a significant improvement on the approach developed by Snyder and Brüschweiler (66 %) and the use of spectral derivatives (50 %). Thus, we calculate the 4D covariance spectrum from HN(CO)CA and HNCA experiments, in which cross-peaks with LCCs above a universal threshold are considered as true correlations. This 4D covariance spectrum enables the sequential assignment of a 42 kDa maltose binding protein (MBP), in which about 95 % residues are successfully assigned with a high accuracy of 98 %. Our LCC approach, therefore, paves the way for a residue-by-residue study of the backbone structure and dynamics of large proteins. PMID:27276173

  4. A Learner-Centered Approach for Training Science Teachers through Virtual Reality and 3D Visualization Technologies: Practical Experience for Sharing

    ERIC Educational Resources Information Center

    Yeung, Yau-Yuen

    2004-01-01

    This paper presentation will report on how some science educators at the Science Department of The Hong Kong Institute of Education have successfully employed an array of innovative learning media such as three-dimensional (3D) and virtual reality (VR) technologies to create seven sets of resource kits, most of which are being placed on the…

  5. Recording stereoscopic 3D neurosurgery with a head-mounted 3D camera system.

    PubMed

    Lee, Brian; Chen, Brian R; Chen, Beverly B; Lu, James Y; Giannotta, Steven L

    2015-06-01

    Stereoscopic three-dimensional (3D) imaging can present more information to the viewer and further enhance the learning experience over traditional two-dimensional (2D) video. Most 3D surgical videos are recorded from the operating microscope and only feature the crux, or the most important part of the surgery, leaving out other crucial parts of surgery including the opening, approach, and closing of the surgical site. In addition, many other surgeries including complex spine, trauma, and intensive care unit procedures are also rarely recorded. We describe and share our experience with a commercially available head-mounted stereoscopic 3D camera system to obtain stereoscopic 3D recordings of these seldom recorded aspects of neurosurgery. The strengths and limitations of using the GoPro(®) 3D system as a head-mounted stereoscopic 3D camera system in the operating room are reviewed in detail. Over the past several years, we have recorded in stereoscopic 3D over 50 cranial and spinal surgeries and created a library for education purposes. We have found the head-mounted stereoscopic 3D camera system to be a valuable asset to supplement 3D footage from a 3D microscope. We expect that these comprehensive 3D surgical videos will become an important facet of resident education and ultimately lead to improved patient care. PMID:25620087

  6. 3D Surgical Simulation

    PubMed Central

    Cevidanes, Lucia; Tucker, Scott; Styner, Martin; Kim, Hyungmin; Chapuis, Jonas; Reyes, Mauricio; Proffit, William; Turvey, Timothy; Jaskolka, Michael

    2009-01-01

    This paper discusses the development of methods for computer-aided jaw surgery. Computer-aided jaw surgery allows us to incorporate the high level of precision necessary for transferring virtual plans into the operating room. We also present a complete computer-aided surgery (CAS) system developed in close collaboration with surgeons. Surgery planning and simulation include construction of 3D surface models from Cone-beam CT (CBCT), dynamic cephalometry, semi-automatic mirroring, interactive cutting of bone and bony segment repositioning. A virtual setup can be used to manufacture positioning splints for intra-operative guidance. The system provides further intra-operative assistance with the help of a computer display showing jaw positions and 3D positioning guides updated in real-time during the surgical procedure. The CAS system aids in dealing with complex cases with benefits for the patient, with surgical practice, and for orthodontic finishing. Advanced software tools for diagnosis and treatment planning allow preparation of detailed operative plans, osteotomy repositioning, bone reconstructions, surgical resident training and assessing the difficulties of the surgical procedures prior to the surgery. CAS has the potential to make the elaboration of the surgical plan a more flexible process, increase the level of detail and accuracy of the plan, yield higher operative precision and control, and enhance documentation of cases. Supported by NIDCR DE017727, and DE018962 PMID:20816308

  7. GFT projection NMR spectroscopy for proteins in the solid state

    PubMed Central

    Franks, W. Trent; Atreya, Hanudatta S.; Szyperski, Thomas

    2011-01-01

    Recording of four-dimensional (4D) spectra for proteins in the solid state has opened new avenues to obtain virtually complete resonance assignments and three-dimensional (3D) structures of proteins. As in solution state NMR, the sampling of three indirect dimensions leads per se to long minimal measurement time. Furthermore, artifact suppression in solid state NMR relies primarily on radio-frequency pulse phase cycling. For an n-step phase cycle, the minimal measurement times of both 3D and 4D spectra are increased n times. To tackle the associated ‘sampling problem’ and to avoid sampling limited data acquisition, solid state G-Matrix Fourier Transform (SS GFT) projection NMR is introduced to rapidly acquire 3D and 4D spectral information. Specifically, (4,3)D (HA)CANCOCX and (3,2)D (HACA)NCOCX were implemented and recorded for the 6 kDa protein GB1 within about 10% of the time required for acquiring the conventional congeners with the same maximal evolution times and spectral widths in the indirect dimensions. Spectral analysis was complemented by comparative analysis of expected spectral congestion in conventional and GFT NMR experiments, demonstrating that high spectral resolution of the GFT NMR experiments enables one to efficiently obtain nearly complete resonance assignments even for large proteins. PMID:21052779

  8. Extending long-range heteronuclear NMR connectivities by HSQMBC-COSY and HSQMBC-TOCSY experiments

    NASA Astrophysics Data System (ADS)

    Saurí, Josep; Marcó, Núria; Williamson, R. Thomas; Martin, Gary E.; Parella, Teodor

    2015-09-01

    The detection of long-range heteronuclear correlations presenting J(CH) coupling values smaller than 1-2 Hz is a challenge in the structural analysis of small molecules and natural products. HSQMBC-COSY and HSQMBC-TOCSY pulse schemes are evaluated as complementary NMR methods to standard HMBC/HSQMBC experiments. Incorporation of an additional J(HH) transfer step in the basic HSQMBC pulse scheme can favor the sensitive observation of traditionally missing or very weak correlations and, in addition, facilitates the detection of a significant number of still longer-range connectivities to both protonated and non-protonated carbons under optimum sensitivity conditions. A comparative 1H-13C study is performed using strychnine as a model compound and several examples are also provided including 1H-15N applications.

  9. 3D planning in orthognathic surgery: CAD/CAM surgical splints and prediction of the soft and hard tissues results - our experience in 16 cases.

    PubMed

    Aboul-Hosn Centenero, Samir; Hernández-Alfaro, Federico

    2012-02-01

    The aim of this article is to determine the advantages of 3D planning in predicting postoperative results and manufacturing surgical splints using CAD/CAM (Computer Aided Design/Computer Aided Manufacturing) technology in orthognathic surgery when the software program Simplant OMS 10.1 (Materialise(®), Leuven, Belgium) was used for the purpose of this study which was carried out on 16 patients. A conventional preoperative treatment plan was devised for each patient following our Centre's standard protocol, and surgical splints were manufactured. These splints were used as study controls. The preoperative treatment plans devised were then transferred to a 3D-virtual environment on a personal computer (PC). Surgery was simulated, the prediction of results on soft and hard tissue produced, and surgical splints manufactured using CAD/CAM technology. In the operating room, both types of surgical splints were compared and the degree of similitude in results obtained in three planes was calculated. The maxillary osteotomy line was taken as the point of reference. The level of concordance was used to compare the surgical splints. Three months after surgery a second set of 3D images were obtained and used to obtain linear and angular measurements on screen. Using the Intraclass Correlation Coefficient these postoperative measurements were compared with the measurements obtained when predicting postoperative results. Results showed that a high degree of correlation in 15 of the 16 cases. A high coefficient of correlation was obtained in the majority of predictions of results in hard tissue, although less precise results were obtained in measurements in soft tissue in the labial area. The study shows that the software program used in the study is reliable for 3D planning and for the manufacture of surgical splints using CAD/CAM technology. Nevertheless, further progress in the development of technologies for the acquisition of 3D images, new versions of software programs

  10. 3D polarimetric purity

    NASA Astrophysics Data System (ADS)

    Gil, José J.; San José, Ignacio

    2010-11-01

    From our previous definition of the indices of polarimetric purity for 3D light beams [J.J. Gil, J.M. Correas, P.A. Melero and C. Ferreira, Monogr. Semin. Mat. G. de Galdeano 31, 161 (2004)], an analysis of their geometric and physical interpretation is presented. It is found that, in agreement with previous results, the first parameter is a measure of the degree of polarization, whereas the second parameter (called the degree of directionality) is a measure of the mean angular aperture of the direction of propagation of the corresponding light beam. This pair of invariant, non-dimensional, indices of polarimetric purity contains complete information about the polarimetric purity of a light beam. The overall degree of polarimetric purity is obtained as a weighted quadratic average of the degree of polarization and the degree of directionality.

  11. 3D field harmonics

    SciTech Connect

    Caspi, S.; Helm, M.; Laslett, L.J.

    1991-03-30

    We have developed an harmonic representation for the three dimensional field components within the windings of accelerator magnets. The form by which the field is presented is suitable for interfacing with other codes that make use of the 3D field components (particle tracking and stability). The field components can be calculated with high precision and reduced cup time at any location (r,{theta},z) inside the magnet bore. The same conductor geometry which is used to simulate line currents is also used in CAD with modifications more readily available. It is our hope that the format used here for magnetic fields can be used not only as a means of delivering fields but also as a way by which beam dynamics can suggest correction to the conductor geometry. 5 refs., 70 figs.

  12. 'Bonneville' in 3-D!

    NASA Technical Reports Server (NTRS)

    2004-01-01

    The Mars Exploration Rover Spirit took this 3-D navigation camera mosaic of the crater called 'Bonneville' after driving approximately 13 meters (42.7 feet) to get a better vantage point. Spirit's current position is close enough to the edge to see the interior of the crater, but high enough and far enough back to get a view of all of the walls. Because scientists and rover controllers are so pleased with this location, they will stay here for at least two more martian days, or sols, to take high resolution panoramic camera images of 'Bonneville' in its entirety. Just above the far crater rim, on the left side, is the rover's heatshield, which is visible as a tiny reflective speck.

  13. An Affordable, Indigenous Polarizer-Analyser System with Inbuilt Retardation Plate Function to Detect Birefringence using 3D Glasses: An Experience

    PubMed Central

    Sudhir, Dange Prasad; Saksena, Annapurna; Khurana, Nita

    2016-01-01

    Introduction Polarizing microscope plays a vital role in few but unique situations. A pair of cross polarizers is used to confirm the presence of birefringent substances. Also, a red retardation plate is needed to evaluate the sign of birefringence. However, a polarizing microscope especially with retardation plate is very expensive. Thus, an affordable yet effective substitute using the 3D Polaroid glasses used for ‘3D movies’ would enable widespread use of the polarizing system. Aim To study the use of 3D polaroid glasses procured from cinema halls in detecting birefringence substances and to study the red retardation plate function in them. Materials and Methods Passive 3D Polaroid glasses were procured from cinema halls. They were arranged in aspecific manner to obtain polarized light. Red retardation plate function can be obtained by changing the arrangement of the glasses. These glasses were used with various available models of different light microscope manufacturers. Various specimens observed included amyloid deposits, woven and lamellar bone, skeletal muscle striations, urate crystals, cholesterol crystals, suture material and glove powder. The comparison was based on subjective interpretation of intensity and quality of birefringence. Sign of birefringence was also determined whenever relevant. Results The birefringence observed by our system was comparable to the commercially available polarizing system with respect to intensity and quality. Also, there were no false positive /negative results when compared with the commercial Polarizing microscope. Moreover, the system had an inbuilt red retardation plate to determine sign of birefringence. Conclusion The system is efficient, cheap, easily accessible, portable and compatible with all models of light microscopes. PMID:26894072

  14. An aerial 3D printing test mission

    NASA Astrophysics Data System (ADS)

    Hirsch, Michael; McGuire, Thomas; Parsons, Michael; Leake, Skye; Straub, Jeremy

    2016-05-01

    This paper provides an overview of an aerial 3D printing technology, its development and its testing. This technology is potentially useful in its own right. In addition, this work advances the development of a related in-space 3D printing technology. A series of aerial 3D printing test missions, used to test the aerial printing technology, are discussed. Through completing these test missions, the design for an in-space 3D printer may be advanced. The current design for the in-space 3D printer involves focusing thermal energy to heat an extrusion head and allow for the extrusion of molten print material. Plastics can be used as well as composites including metal, allowing for the extrusion of conductive material. A variety of experiments will be used to test this initial 3D printer design. High altitude balloons will be used to test the effects of microgravity on 3D printing, as well as parabolic flight tests. Zero pressure balloons can be used to test the effect of long 3D printing missions subjected to low temperatures. Vacuum chambers will be used to test 3D printing in a vacuum environment. The results will be used to adapt a current prototype of an in-space 3D printer. Then, a small scale prototype can be sent into low-Earth orbit as a 3-U cube satellite. With the ability to 3D print in space demonstrated, future missions can launch production hardware through which the sustainability and durability of structures in space will be greatly improved.

  15. Contrast-enhanced 3D MRA with centric ordering in k space: a preliminary clinical experience in imaging the abdominal aorta and renal and peripheral arterial vasculature.

    PubMed

    Shetty, A N; Bis, K G; Vrachliotis, T G; Kirsch, M; Shirkhoda, A; Ellwood, R

    1998-01-01

    The objective of this study was to determine the clinical utility of a contrast-enhanced, centric reordered, three-dimensional (3D) MR angiography (MRA) pulse sequence in imaging the abdominal aorta and renal and peripheral lower extremity arteries. Twenty-eight MRA studies were performed on 23 patients and four volunteers at 1.5 T using a 3D contrast-enhanced, centric reordered pulse sequence. In 20 patients, the abdominal aorta and renal arteries were imaged, and in seven patients, the lower extremity arteries were imaged. In 19 patients, a total of 51 renal vessels were evaluated (33 renal arteries using .1 mmol/kg of gadopentetate dimeglumine and 18 renal arteries using .2 mmol/kg of gadoteridol). A total of 70 peripheral arterial segments were assessed using .2 mmol/kg of gadoteridol. Correlation with conventional angiography was made for the following 14 cases: renal artery stenosis (four cases), abdominal aortic stenosis (one case), arteriovenous fistula in a transplant kidney (one case), renal arteriovenous malformation (one case), common iliac artery aneurysms (one case), and peripheral lower extremity (six cases). Of the 70 peripheral arterial segments evaluated, in 35, there was correlation with x-ray angiography. The mean percent of aortic signal enhancement was significantly higher in the .2 mmol/kg dose group (370.8 +/- 190.3) than in the .1 mmol/kg dose group (184.5 +/- 128.9) (P = .02). However, there was no apparent difference between the two doses for visualization of the renal and accessory renal arteries. There was concordance between the contrast-enhanced 3D MRA studies and conventional angiography in all cases of renal artery and peripheral arterial stenoses and occlusions, including visualization of reconstituted peripheral arterial segments. There was no evidence of spin dephasing effects at sites of stenoses on the 3D contrast-enhanced MRA studies. Contrast-enhanced, centric reordered, 3D MRA can rapidly image the abdominal aorta and renal

  16. Nonuniform sampling of hypercomplex multidimensional NMR experiments: Dimensionality, quadrature phase and randomization

    PubMed Central

    Schuyler, Adam D; Maciejewski, Mark W; Stern, Alan S; Hoch, Jeffrey C

    2015-01-01

    Nonuniform sampling (NUS) in multidimensional NMR permits the exploration of higher dimensional experiments and longer evolution times than the Nyquist Theorem practically allows for uniformly sampled experiments. However, the spectra of NUS data include sampling-induced artifacts and may be subject to distortions imposed by sparse data reconstruction techniques, issues not encountered with the discrete Fourier transform (DFT) applied to uniformly sampled data. The characterization of these NUS-induced artifacts allows for more informed sample schedule design and improved spectral quality. The DFT–Convolution Theorem, via the point-spread function (PSF) for a given sampling scheme, provides a useful framework for exploring the nature of NUS sampling artifacts. In this work, we analyze the PSFs for a set of specially constructed NUS schemes to quantify the interplay between randomization and dimensionality for reducing artifacts relative to uniformly undersampled controls. In particular, we find a synergistic relationship between the indirect time dimensions and the “quadrature phase dimension” (i.e. the hypercomplex components collected for quadrature detection). The quadrature phase dimension provides additional degrees of freedom that enable partial-component NUS (collecting a subset of quadrature components) to further reduce sampling-induced aliases relative to traditional full-component NUS (collecting all quadrature components). The efficacy of artifact reduction is exponentially related to the dimensionality of the sample space. Our results quantify the utility of partial-component NUS as an additional means for introducing decoherence into sampling schemes and reducing sampling artifacts in high dimensional experiments. PMID:25899289

  17. Proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H correlation experiment for structural analysis in rigid solids under ultrafast-MAS above 60 kHz

    SciTech Connect

    Zhang, Rongchun; Ramamoorthy, Ayyalusamy; Nishiyama, Yusuke

    2015-10-28

    A proton-detected 3D {sup 1}H/{sup 13}C/{sup 1}H chemical shift correlation experiment is proposed for the assignment of chemical shift resonances, identification of {sup 13}C-{sup 1}H connectivities, and proximities of {sup 13}C-{sup 1}H and {sup 1}H-{sup 1}H nuclei under ultrafast magic-angle-spinning (ultrafast-MAS) conditions. Ultrafast-MAS is used to suppress all anisotropic interactions including {sup 1}H-{sup 1}H dipolar couplings, while the finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used to recouple dipolar couplings among protons and the insensitive nuclei enhanced by polarization transfer technique is used to transfer magnetization between heteronuclear spins. The 3D experiment eliminates signals from non-carbon-bonded protons and non-proton-bonded carbons to enhance spectral resolution. The 2D (F1/F3) {sup 1}H/{sup 1}H and 2D {sup 13}C/{sup 1}H (F2/F3) chemical shift correlation spectra extracted from the 3D spectrum enable the identification of {sup 1}H-{sup 1}H proximity and {sup 13}C-{sup 1}H connectivity. In addition, the 2D (F1/F2) {sup 1}H/{sup 13}C chemical shift correlation spectrum, incorporated with proton magnetization exchange via the fp-RFDR recoupling of {sup 1}H-{sup 1}H dipolar couplings, enables the measurement of proximities between {sup 13}C and even the remote non-carbon-bonded protons. The 3D experiment also gives three-spin proximities of {sup 1}H-{sup 1}H-{sup 13}C chains. Experimental results obtained from powder samples of L-alanine and L-histidine ⋅ H{sub 2}O ⋅ HCl demonstrate the efficiency of the 3D experiment.

  18. Topology dictionary for 3D video understanding.

    PubMed

    Tung, Tony; Matsuyama, Takashi

    2012-08-01

    This paper presents a novel approach that achieves 3D video understanding. 3D video consists of a stream of 3D models of subjects in motion. The acquisition of long sequences requires large storage space (2 GB for 1 min). Moreover, it is tedious to browse data sets and extract meaningful information. We propose the topology dictionary to encode and describe 3D video content. The model consists of a topology-based shape descriptor dictionary which can be generated from either extracted patterns or training sequences. The model relies on 1) topology description and classification using Reeb graphs, and 2) a Markov motion graph to represent topology change states. We show that the use of Reeb graphs as the high-level topology descriptor is relevant. It allows the dictionary to automatically model complex sequences, whereas other strategies would require prior knowledge on the shape and topology of the captured subjects. Our approach serves to encode 3D video sequences, and can be applied for content-based description and summarization of 3D video sequences. Furthermore, topology class labeling during a learning process enables the system to perform content-based event recognition. Experiments were carried out on various 3D videos. We showcase an application for 3D video progressive summarization using the topology dictionary. PMID:22745004

  19. Analysis of Bromination of Ethylbenzene Using a 45 MHz NMR Spectrometer: An Undergraduate Organic Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Isaac-Lam, Meden F.

    2014-01-01

    A 45 MHz benchtop NMR spectrometer is used to identify the structures and determine the amount of 1-bromoethylbenzene and 1,1-dibromoethylbenzene produced from free-radical bromination of ethylbenzene. The experiment is designed for nonchemistry majors, specifically B.S. Biology students, in a predominantly undergraduate institution with…

  20. Extraction and [superscript 1]H NMR Analysis of Fats from Convenience Foods: A Laboratory Experiment for Organic Chemistry

    ERIC Educational Resources Information Center

    Hartel, Aaron M.; Moore, Amy C.

    2014-01-01

    The extraction and analysis of fats from convenience foods (crackers, cookies, chips, candies) has been developed as an experiment for a second-year undergraduate organic chemistry laboratory course. Students gravimetrically determine the fat content per serving and then perform a [superscript 1]H NMR analysis of the recovered fat to determine the…

  1. Prominent rocks - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Many prominent rocks near the Sagan Memorial Station are featured in this image, taken in stereo by the Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. Wedge is at lower left; Shark, Half-Dome, and Pumpkin are at center. Flat Top, about four inches high, is at lower right. The horizon in the distance is one to two kilometers away.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  2. 'Diamond' in 3-D

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

    Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

    On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

    The image mosaic is about 6 centimeters (2.4 inches) across.

  3. Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.

    PubMed

    Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek

    2016-07-13

    Ruthenium-based compounds are potential candidates for use as anticancer metallodrugs. The central ruthenium atom can be in the oxidation state +2 (e.g., RAPTA, RAED) or +3 (e.g., NAMI, KP). In this study we focus on paramagnetic NAMI analogs of a general structure [4-R-pyH](+)trans-[Ru(III)Cl4(DMSO)(4-R-py)](-), where 4-R-py stands for a 4-substituted pyridine. As paramagnetic systems are generally considered difficult to characterize in detail by NMR spectroscopy, we performed a systematic structural and methodological NMR study of complexes containing variously substituted pyridines. The effect of the paramagnetic nature of these complexes on the (1)H and (13)C NMR chemical shifts was systematically investigated by temperature-dependent NMR experiments and density-functional theory (DFT) calculations. To understand the electronic factors influencing the orbital (δ(orb), temperature-independent) and paramagnetic (δ(para), temperature-dependent) contributions to the total NMR chemical shifts, a relativistic two-component DFT approach was used. The paramagnetic contributions to the (13)C NMR chemical shifts are correlated with the distribution of spin density in the ligand moiety and the (13)C isotropic hyperfine coupling constants, Aiso((13)C), for the individual carbon atoms. To analyze the mechanism of spin distribution in the ligand, the contributions of molecular spin-orbitals (MSOs) to the hyperfine coupling constants and the spatial distribution of the z-component of the spin density in the MSOs calculated at the relativistic four-component DFT level are discussed and rationalized. The significant effects of the substituent and the solvent on δ(para), particularly the contact contribution, are demonstrated. This work should contribute to further understanding of the link between the electronic structure and the NMR chemical shifts in open-shell systems, including the ruthenium-based metallodrugs investigated in this account. PMID:27312929

  4. NMR imaging of the chest at 0.12 T: initial clinical experience with a resistive magnet.

    PubMed

    Axel, L; Kressel, H Y; Thickman, D; Epstein, D M; Edelstein, W; Bottomley, P; Redington, R; Baum, S

    1983-12-01

    The chests of 40 subjects were imaged with an experimental nuclear magnetic resonance (NMR) imager operating at a magnetic field of 0.12 T. There were six normal volunteers and 34 patients with abnormalities affecting different areas, including the chest wall, pleura, hila, mediastinum, and lung parenchyma, and including benign and malignant processes. In this initial clinical experience, NMR imaging provided useful information on the presence and extent of disease by its ability to distinguish different tissues and by the excellent demonstration of vascular structures. PMID:6606311

  5. Ideal and non-ideal MHD regimes of wire array implosion obtained in 3D hybrid simulations and observed during experiments at NTF.

    SciTech Connect

    Sotnikov, Vladimir Isaakovich; Fiala, V.; Oliver, Bryan Velten; Ivanov, Vladimir V.; LePell, Paul David; Fedin, Dmitry; Mehlhorn, Thomas Alan; Kantsyrev, Victor Leonidovich; Coverdale, Christine Anne; Travnicek, P.; Hellinger, P.; Deeney, Christopher; Jones, Brent Manley; Safronova, Alla S.; Leboeuf, J. N.; Cowan, Thomas E.

    2004-11-01

    Recent 3D hybrid simulation of a plasma current-carrying column revealed two regimes of sausage and kink instability development. In the first regime, with small Hall parameter, development of instabilities leads to appearance of large-scale axial perturbations and eventually to the bending of the plasma column. In the second regime, with five times larger Hall parameter, small-scale perturbations dominated and no bending of the plasma column was observed. Simulation results are compared to recent experimental data, including laser probing, x-ray spectroscopy and time-gated x-ray imaging during wire array implosions at NTF.

  6. Comparison of Changes in Immunological Parameters in Human Lymphocytes in 2D Versus 3D Clinostats-Goal Towards Microgravity Analog Calibration for Future Space Experiments

    NASA Astrophysics Data System (ADS)

    Sundaresan, Alamelu; Russomano, Thais; Pellis, Neal R.

    2008-06-01

    Exposure to microgravity may produce changes in the performance of the immunological system at the cellular level as well as in the major physiological systems of the body. Studies in true spaceflight and similar studies in 2D clinostats (Rotating wall vessels) related to decreased immune function in astronaut blood and normal human lymphocytes indicate a decrease in cell proliferation, T cell activation, locomotion and altered lymphocyte signal transduction (Sundaresan and Pellis, 2008, Sundaresan et al., 2004). The present study was designed to investigate whether the proliferation and viability of lymphocytes are reduced by exposure to rotation in a 3D-Clinostat, which is used to simulate microgravity for cells.

  7. Synthesis and Resolution of the Atropisomeric 1,1'-Bi-2-Naphthol: An Experiment in Organic Synthesis and 2-D NMR Spectroscopy

    ERIC Educational Resources Information Center

    Mak, Kendrew K. W.

    2004-01-01

    NMR spectroscopy is presented. It is seen that the experiment regarding the synthesis and resolution of 1,1'-Bi-2-naphtol presents a good experiment for teaching organic synthesis and NMR spectroscopy and provides a strategy for obtaining enantiopure compounds from achiral starting materials.

  8. The complexity of protein energy landscapes studied by solution NMR relaxation dispersion experiments

    PubMed Central

    Khirich, Gennady; Loria, J. Patrick

    2016-01-01

    The millisecond timescale motions in ribonuclease A (RNase A) were studied by solution NMR CPMG and off-resonance R1ρ relaxation dispersion experiments over a wide pH and temperature range. These experiments identify three separate protein regions termed Cluster 1, Cluster 2, and R33 whose motions are governed by distinct thermodynamic parameters. Moreover each of these regions has motions with different pH dependencies. Cluster 1 shows an increase in activation enthalpy and activation entropy as the pH is lowered, whereas Cluster two exhibits the opposite behavior. In contrast the activation enthalpy and entropy of R33 show no pH dependence. Compounding the differences, Δω values for Cluster 2 are characteristic of two-site conformational exchange yet similar analysis for Cluster 1 indicates that this region of the enzyme exhibits conformational fluctuations between a major conformer and a pH-dependent average of protonated and de-protonated minor conformers. PMID:25680027

  9. 3D palmprint data fast acquisition and recognition

    NASA Astrophysics Data System (ADS)

    Wang, Xiaoxu; Huang, Shujun; Gao, Nan; Zhang, Zonghua

    2014-11-01

    This paper presents a fast 3D (Three-Dimension) palmprint capturing system and develops an efficient 3D palmprint feature extraction and recognition method. In order to fast acquire accurate 3D shape and texture of palmprint, a DLP projector triggers a CCD camera to realize synchronization. By generating and projecting green fringe pattern images onto the measured palm surface, 3D palmprint data are calculated from the fringe pattern images. The periodic feature vector can be derived from the calculated 3D palmprint data, so undistorted 3D biometrics is obtained. Using the obtained 3D palmprint data, feature matching test have been carried out by Gabor filter, competition rules and the mean curvature. Experimental results on capturing 3D palmprint show that the proposed acquisition method can fast get 3D shape information of palmprint. Some initial experiments on recognition show the proposed method is efficient by using 3D palmprint data.

  10. 3D Ion Temperature Reconstruction

    NASA Astrophysics Data System (ADS)

    Tanabe, Hiroshi; You, Setthivoine; Balandin, Alexander; Inomoto, Michiaki; Ono, Yasushi

    2009-11-01

    The TS-4 experiment at the University of Tokyo collides two spheromaks to form a single high-beta compact toroid. Magnetic reconnection during the merging process heats and accelerates the plasma in toroidal and poloidal directions. The reconnection region has a complex 3D topology determined by the pitch of the spheromak magnetic fields at the merging plane. A pair of multichord passive spectroscopic diagnostics have been established to measure the ion temperature and velocity in the reconnection volume. One setup measures spectral lines across a poloidal plane, retrieving velocity and temperature from Abel inversion. The other, novel setup records spectral lines across another section of the plasma and reconstructs velocity and temperature from 3D vector and 2D scalar tomography techniques. The magnetic field linking both measurement planes is determined from in situ magnetic probe arrays. The ion temperature is then estimated within the volume between the two measurement planes and at the reconnection region. The measurement is followed over several repeatable discharges to follow the heating and acceleration process during the merging reconnection.

  11. An NMR Experiment Based on Off-the-Shelf Digital Data-Acquisition Equipment

    ERIC Educational Resources Information Center

    Hilty, Christian; Bowen, Sean

    2010-01-01

    Nuclear magnetic resonance (NMR) poses significant challenges for teaching in the context of an undergraduate laboratory, foremost because of high equipment cost. Current off-the-shelf data-acquisition hardware, however, is sufficiently powerful to constitute the core of a fully digital NMR spectrometer operating at the earth's field. We present…

  12. Automatic needle segmentation in 3D ultrasound images using 3D Hough transform

    NASA Astrophysics Data System (ADS)

    Zhou, Hua; Qiu, Wu; Ding, Mingyue; Zhang, Songgeng

    2007-12-01

    3D ultrasound (US) is a new technology that can be used for a variety of diagnostic applications, such as obstetrical, vascular, and urological imaging, and has been explored greatly potential in the applications of image-guided surgery and therapy. Uterine adenoma and uterine bleeding are the two most prevalent diseases in Chinese woman, and a minimally invasive ablation system using an RF button electrode which is needle-like is being used to destroy tumor cells or stop bleeding currently. Now a 3D US guidance system has been developed to avoid accidents or death of the patient by inaccurate localizations of the electrode and the tumor position during treatment. In this paper, we described two automated techniques, the 3D Hough Transform (3DHT) and the 3D Randomized Hough Transform (3DRHT), which is potentially fast, accurate, and robust to provide needle segmentation in 3D US image for use of 3D US imaging guidance. Based on the representation (Φ , θ , ρ , α ) of straight lines in 3D space, we used the 3DHT algorithm to segment needles successfully assumed that the approximate needle position and orientation are known in priori. The 3DRHT algorithm was developed to detect needles quickly without any information of the 3D US images. The needle segmentation techniques were evaluated using the 3D US images acquired by scanning water phantoms. The experiments demonstrated the feasibility of two 3D needle segmentation algorithms described in this paper.

  13. Visual inertia of rotating 3-D objects.

    PubMed

    Jiang, Y; Pantle, A J; Mark, L S

    1998-02-01

    Five experiments were designed to determine whether a rotating, transparent 3-D cloud of dots (simulated sphere) could influence the perceived direction of rotation of a subsequent sphere. Experiment 1 established conditions under which the direction of rotation of a virtual sphere was perceived unambiguously. When a near-far luminance difference and perspective depth cues were present, observers consistently saw the sphere rotate in the intended direction. In Experiment 2, a near-far luminance difference was used to create an unambiguous rotation sequence that was followed by a directionally ambiguous rotation sequence that lacked both the near-far luminance cue and the perspective cue. Observers consistently saw the second sequence as rotating in the same direction as the first, indicating the presence of 3-D visual inertia. Experiment 3 showed that 3-D visual inertia was sufficiently powerful to bias the perceived direction of a rotation sequence made unambiguous by a near-far luminance cue. Experiment 5 showed that 3-D visual inertia could be obtained using an occlusion depth cue to create an unambiguous inertia-inducing sequence. Finally, Experiments 2, 4, and 5 all revealed a fast-decay phase of inertia that lasted for approximately 800 msec, followed by an asymptotic phase that lasted for periods as long as 1,600 msec. The implications of these findings are examined with respect to motion mechanisms of 3-D visual inertia. PMID:9529911

  14. 3D scene reconstruction based on 3D laser point cloud combining UAV images

    NASA Astrophysics Data System (ADS)

    Liu, Huiyun; Yan, Yangyang; Zhang, Xitong; Wu, Zhenzhen

    2016-03-01

    It is a big challenge capturing and modeling 3D information of the built environment. A number of techniques and technologies are now in use. These include GPS, and photogrammetric application and also remote sensing applications. The experiment uses multi-source data fusion technology for 3D scene reconstruction based on the principle of 3D laser scanning technology, which uses the laser point cloud data as the basis and Digital Ortho-photo Map as an auxiliary, uses 3DsMAX software as a basic tool for building three-dimensional scene reconstruction. The article includes data acquisition, data preprocessing, 3D scene construction. The results show that the 3D scene has better truthfulness, and the accuracy of the scene meet the need of 3D scene construction.

  15. Seafloor surface processes and subsurface paleo-channel unconformities mapped using multi-channel seismic and multi-beam sonar data from the Galicia 3D seismic experiment.

    NASA Astrophysics Data System (ADS)

    Gibson, J. C.; Shillington, D. J.; Sawyer, D. S.; Jordan, B.; Morgan, J. K.; Ranero, C.; Reston, T. J.

    2015-12-01

    In this study we use geophysical methods, stratigraphic relationships, and coring/drilling leg results to assess possible controls on deep-sea channel formation in order to further constrain paleo-channel (PC) and associated unconformity timing/source processes. A series of cut and fill PC are mapped in 3D multi-channel seismic (MCS) data and compared with multi-beam (MB) sonar bathymetry/backscatter data collected during the Galicia 3D survey with the R/V Marcus G. Langseth (2013). The MCS data were collected using four 6 km streamers spaced at 200 m resulting in 25 m x 25 m common mid-point bins within the ~67 km x 20 km 3D volume. The MB data were collected at an average depth of ~4900 m with a constrained swath width of 4.5 km resulting in 11.25x overlap while enabling 25-m bathymetry and 10-m backscatter grids. The PC lie below the mouth of a submarine canyon at the edge of the Galicia abyssal plain and cut pre/syn-rift sediments; they are bound by a rift block to the north and paleo-levees to the south (maximum height of ~180m). From drilling results, the most recent PC is late Miocene in age. In this study, four PC are traced into the basin as unconformities. Several of the PC/unconformities are tentatively correlated with previously interpreted Pyrenean orogeny/compressional Miocene/Oligocene tectonic events. However, one PC/unconformity within this interval has not been previously interpreted. In order test the hypothesis that the unconformities are the result of a significant change in base level indicated by a low shale/sand (SS) ratio, we use seismic surface attributes to calculate the SS ratio and trace the horizontal extent of the unconformities. Additionally, the MB/MCS seafloor morphology reveals sedimentary waves outboard of the canyon mouth. We use backscatter data to compare the extent of recent processes (e.g., Pleistocene glaciation/de-glaciation) with the unconformities by mapping the surface/shallow subsurface SS ratio (volume scattering).

  16. Noninvasive 3D pressure calculation from PC-MRI via non-iterative harmonics-based orthogonal projection: constant flow experiment.

    PubMed

    Negahdar, M J; Kadbi, Mo; Cha, J; Cebral, J; Amini, A

    2013-01-01

    Use of phase-contrast (PC) MRI in assessment of hemodynamics has significant clinical importance. In this paper we develop a novel approach to determination of hemodynamic pressures. 3D gradients of pressure obtained from Navier-Stokes equation are expanded into a series of orthogonal basis functions, and are subsequently projected onto an integrable subspace. Before the projection step however, a scheme is devised to eliminate the discontinuity at the vessel and image boundaries. In terms of the computation time, the proposed approach significantly improves on previous iterative methods for pressure calculations. The method has been validated using computational fluid dynamic simulations and in-vitro MRI studies of stenotic flows. PMID:24110706

  17. Choice of surgical access for retroperitoneoscopic ureterolithotomy according to the results of 3D reconstruction of operational zone agreed with the patient: initial experience

    PubMed Central

    Bashirov, Valerii I.; Furman, Yakov A.; Rozhentsov, Alexey A.; Yeruslanov, Ruslan V.; Kudryavtsev, Alexandr A.

    2013-01-01

    Introduction For the procedure retroperitoneoscopic ureterolithotomy, the problems of access choice and thus visualization with utilizing minimally invasive surgical access (either with gasless single port method or gas insufflation) are solved. The decisions are based on the method of presurgery planning, grounded on matching the patient with a 3D model of the zone of surgical interest reconstructed according to the results of tomographic examination. Material and methods We used a hardware–software complex (HSC) for virtual modeling of the surgery zone and choosing the optimum points for minimally invasive surgical access. The HSC was recruited to choose optimum surgical access, realize presurgery planning, and estimation of the safety of the way of access chosen. The original method of matching the system of coordinates of a virtual model with the patient was offered. Results 12 patients with the calculus in the upper part of ureter averaging 11.5 (9–14) mm in size underwent gasless retroperitoneoscopic ureterolithotomy with use of the HSC. Mean age of the patients was 36.4 (25–49) years old. The surgeries lasted an average of 35.5 (25–40) minutes. Blood loss was averaged at 55.0 (30–90) ml. Healing by first intention was registered with all the patients. The mean hospitalization time was 6.0 (4–7) days. There were neither any complications nor difficulties, nor conversions from incorrectly chosen surgical access. Conclusions The choice of the optimum surgical access according to the results of a virtual 3D model of the operation zone, matching the system of coordinates of the model with patient concurrence, and presurgery planning, was effective in cases of gasless single port and with gas insufflation retroperitoneoscopic ureterolithotomy. PMID:24757541

  18. Proton-detected MAS NMR experiments based on dipolar transfers for backbone assignment of highly deuterated proteins

    NASA Astrophysics Data System (ADS)

    Chevelkov, Veniamin; Habenstein, Birgit; Loquet, Antoine; Giller, Karin; Becker, Stefan; Lange, Adam

    2014-05-01

    Proton-detected solid-state NMR was applied to a highly deuterated insoluble, non-crystalline biological assembly, the Salmonella typhimurium type iii secretion system (T3SS) needle. Spectra of very high resolution and sensitivity were obtained at a low protonation level of 10-20% at exchangeable amide positions. We developed efficient experimental protocols for resonance assignment tailored for this system and the employed experimental conditions. Using exclusively dipolar-based interspin magnetization transfers, we recorded two sets of 3D spectra allowing for an almost complete backbone resonance assignment of the needle subunit PrgI. The additional information provided by the well-resolved proton dimension revealed the presence of two sets of resonances in the N-terminal helix of PrgI, while in previous studies employing 13C detection only a single set of resonances was observed.

  19. Determination of DNA conformational features from selective two-dimensional NMR experiments

    SciTech Connect

    Emsley, L.; Dwyer, T.J.; Spielmann, H.P.; Wemmer, D.E. |

    1993-08-25

    Selective two-dimensional NMR correlation experiments are demonstrated to be particularly well suited to the problem of obtaining quantitative three-bond coupling constants in samples of DNA. The techniques were demonstrated by obtaining high-resolution spectra of cross peaks between sugar protons, which were then iteratively fitted to simulations derived from trial coupling topologies to determine the coupling constants which contribute to the cross-peak patterns. These coupling constants were then used to determine structural parameters such as the phase angle of the deoxyribose pseudorotation and the backbone torsion angles {delta} and {epsilon}. Examples are given for both single-stranded and duplex DNA. We have studied both the unmodified 8-mer duplex d(GCGTACGC){sub 2} and the furan-side monoadduct formed between the thymidine of one of the strands and 4{prime}-(hydroxymethyl)-4,5{prime},8-trimethylpsoralen (HMT) of the same DNA sequence. We comment on the structural differences between the two. 44 refs., 7 figs., 1 tab.

  20. Structural constraints for the Crh protein from solid-state NMR experiments

    PubMed Central

    Gardiennet, Carole; Loquet, Antoine; Etzkorn, Manuel; Heise, Henrike; Baldus, Marc

    2008-01-01

    We demonstrate that short, medium and long-range constraints can be extracted from proton mediated, rare-spin detected correlation solid-state NMR experiments for the microcrystalline 10.4 × 2 kDa dimeric model protein Crh. Magnetization build-up curves from cross signals in NHHC and CHHC spectra deliver detailed information on side chain conformers and secondary structure for interactions between spin pairs. A large number of medium and long-range correlations can be observed in the spectra, and an analysis of the resolved signals reveals that the constraints cover the entire sequence, also including inter-monomer contacts between the two molecules forming the domain-swapped Crh dimer. Dynamic behavior is shown to have an impact on cross signals intensities, as indicated for mobile residues or regions by contacts predicted from the crystal structure, but absent in the spectra. Our work validates strategies involving proton distance measurements for large and complex proteins as the Crh dimer, and confirms the magnetization transfer properties previously described for small molecules in solid protein samples. Electronic supplementary material The online version of this article (doi:10.1007/s10858-008-9229-3) contains supplementary material, which is available to authorized users. PMID:18320329

  1. In situ temperature jump high-frequency dynamic nuclear polarization experiments: enhanced sensitivity in liquid-state NMR spectroscopy.

    PubMed

    Joo, Chan-Gyu; Hu, Kan-Nian; Bryant, Jeffrey A; Griffin, Robert G

    2006-07-26

    We describe an experiment, in situ temperature jump dynamic nuclear polarization (TJ-DNP), that is demonstrated to enhance sensitivity in liquid-state NMR experiments of low-gamma spins--13C, 15N, etc. The approach consists of polarizing a sample at low temperature using high-frequency (140 GHz) microwaves and a biradical polarizing agent and then melting it rapidly with a pulse of 10.6 microm infrared radiation, followed by observation of the NMR signal in the presence of decoupling. In the absence of polarization losses due to relaxation, the enhancement should be epsilon+ = epsilon(T(obs)/T(mu)(wave)), where epsilon+ is the observed enhancement, epsilon is the enhancement obtained at the temperature where the polarization process occurs, and T(mu)(wave) and T(obs) are the polarization and observation temperatures, respectively. In a single experimental cycle, we observe room-temperature enhancements, epsilon(dagger), of 13C signals in the range 120-400 when using a 140 GHz gyrotron microwave source, T(mu)(wave) = 90 K, and T(obs) = 300 K. In addition, we demonstrate that the experiment can be recycled to perform signal averaging that is customary in contemporary NMR spectroscopy. Presently, the experiment is applicable to samples that can be repeatedly frozen and thawed. TJ-DNP could also serve as the initial polarization step in experiments designed for rapid acquisition of multidimensional spectra. PMID:16848479

  2. 3-D Volume Rendering of Sand Specimen

    NASA Technical Reports Server (NTRS)

    2004-01-01

    Computed tomography (CT) images of resin-impregnated Mechanics of Granular Materials (MGM) specimens are assembled to provide 3-D volume renderings of density patterns formed by dislocation under the external loading stress profile applied during the experiments. Experiments flown on STS-79 and STS-89. Principal Investigator: Dr. Stein Sture

  3. Modeling Cellular Processes in 3-D

    PubMed Central

    Mogilner, Alex; Odde, David

    2011-01-01

    Summary Recent advances in photonic imaging and fluorescent protein technology offer unprecedented views of molecular space-time dynamics in living cells. At the same time, advances in computing hardware and software enable modeling of ever more complex systems, from global climate to cell division. As modeling and experiment become more closely integrated, we must address the issue of modeling cellular processes in 3-D. Here, we highlight recent advances related to 3-D modeling in cell biology. While some processes require full 3-D analysis, we suggest that others are more naturally described in 2-D or 1-D. Keeping the dimensionality as low as possible reduces computational time and makes models more intuitively comprehensible; however, the ability to test full 3-D models will build greater confidence in models generally and remains an important emerging area of cell biological modeling. PMID:22036197

  4. Effects of microgeometry and surface relaxation on NMR pulsed-field-gradient experiments: Simple pore geometries

    NASA Astrophysics Data System (ADS)

    Mitra, Partha P.; Sen, Pabitra N.

    1992-01-01

    We derive an expression for the magnetization M(k,Δ) in a pulsed-field-gradient experiment for spins diffusing in a confined space with relaxation at the pore walls. Here k=γδg, δ= pulse width, g= gradient strength, γ= the gyromagnetic ratio, and Δ is the time between gradient pulses. We show that the deviation of -ln[M(k,Δ)/M(0,Δ)] from quadratic behavior in k in experiments in porous media can be a more sensitive probe of the microgeometry (size, connectivity, size distribution, shape, etc.), than either the enhancement of 1/T1 over the bulk water value, or the macroscopic diffusion coefficient, which is derived from the slope of -ln[M(k,Δ)/M(0,Δ)] at small k2, in the limit of large Δ. We propose some simple models of randomly oriented tubes and sheets to interpret the k dependence of the amplitude beyond the leading small-k quadratic behavior. When the macroscopic diffusion coefficient is unobtainable, due to the decay, the present considerations should be useful in extracting geometrical information. The effective diffusion constant derived from NMR exactly equals that derived from electrical conductivity only when the surface relaxivity is zero, but can be close to each other in favorable circumstances even for finite surface relaxivity. Exact solutions with partially absorbing boundary conditions are obtained for a slab and a sphere to infer that the normalized amplitude M(k,Δ,ρ)/M(0,Δ,ρ) depends only weakly on the surface relaxivity ρ for monodisperse convex-shaped pores in the parameter ranges of interest. We also obtain expressions for the mean lifetime of the amplitude in the geometries considered.

  5. Manifestations of the absence of spin diffusion in multipulse NMR experiments on diluted dipolar solids

    NASA Astrophysics Data System (ADS)

    Franzoni, María Belén; Levstein, Patricia R.

    2005-12-01

    Puzzling anomalies previously observed in multipulse NMR experiments in natural abundance Si29 [A. E. Dementyev, D. Li, K. MacLean, and S. E. Barrett, Phys. Rev. B 68, 153302 (2003)], such as long-lived spin echoes and even-odd asymmetries, are also found in polycrystalline C60 . Further experiments controlling the phases and tilting angles of the pulse trains, as well as analytical and numerical calculations, allowed us to explain the origin of these anomalies. We prove that the observation of long magnetization tails requires two conditions: (i) an rf field inhomogeneity or a highly inhomogeneous line able to produce different tilting angles in different sites of the sample and (ii) the absence of spin diffusion (noneffective flip-flop interactions). The last requirement is easily satisfied in diluted dipolar solids, where the frequency differences between sites, caused by disorder or other sources, are usually at least one order of magnitude larger than the dipolar couplings. Both conditions lead to the generation of stimulated echoes in Carr-Purcell (CP) and Carr-Purcell-Meiboom-Gill (CPMG) pulse trains. We show, both experimentally and theoretically, that the stimulated echoes interfere constructively or destructively with the normal (Hahn) echoes depending on the alternation or not of the π pulse phases in the CP and CPMG sequences. Constructive interferences occur for the CP and CPMG sequences with and without phase alternation, respectively, which are the cases where long magnetization tails are observed. Sequences with two, three, and four π pulses after the π/2 pulse allow us to disentangle the contributions of the different echoes and show how the stimulated echoes originate the even-odd asymmetry observed in both Si29 and C60 polycrystalline samples.

  6. Collection of NMR Scalar and Residual Dipolar Couplings Using a Single Experiment.

    PubMed

    Gil-Silva, Leandro F; Santamaría-Fernández, Raquel; Navarro-Vázquez, Armando; Gil, Roberto R

    2016-01-11

    A new DMSO-compatible aligning gel based on cross-linked poly(2-hydroxylethyl methacrylate) (poly-HEMA) has been developed. Due to a significant difference in bulk magnetic susceptibility between the DMSO inside and outside the gel, it is possible to simultaneously collect isotropic and anisotropic NMR data, such as residual dipolar couplings (RDC), in the same NMR tube. RDC-assisted structural analysis of menthol and the alkaloid retrorsine is reported as proof of concept. PMID:26515991

  7. Increasing the impact of medical image computing using community-based open-access hackathons: The NA-MIC and 3D Slicer experience.

    PubMed

    Kapur, Tina; Pieper, Steve; Fedorov, Andriy; Fillion-Robin, J-C; Halle, Michael; O'Donnell, Lauren; Lasso, Andras; Ungi, Tamas; Pinter, Csaba; Finet, Julien; Pujol, Sonia; Jagadeesan, Jayender; Tokuda, Junichi; Norton, Isaiah; Estepar, Raul San Jose; Gering, David; Aerts, Hugo J W L; Jakab, Marianna; Hata, Nobuhiko; Ibanez, Luiz; Blezek, Daniel; Miller, Jim; Aylward, Stephen; Grimson, W Eric L; Fichtinger, Gabor; Wells, William M; Lorensen, William E; Schroeder, Will; Kikinis, Ron

    2016-10-01

    The National Alliance for Medical Image Computing (NA-MIC) was launched in 2004 with the goal of investigating and developing an open source software infrastructure for the extraction of information and knowledge from medical images using computational methods. Several leading research and engineering groups participated in this effort that was funded by the US National Institutes of Health through a variety of infrastructure grants. This effort transformed 3D Slicer from an internal, Boston-based, academic research software application into a professionally maintained, robust, open source platform with an international leadership and developer and user communities. Critical improvements to the widely used underlying open source libraries and tools-VTK, ITK, CMake, CDash, DCMTK-were an additional consequence of this effort. This project has contributed to close to a thousand peer-reviewed publications and a growing portfolio of US and international funded efforts expanding the use of these tools in new medical computing applications every year. In this editorial, we discuss what we believe are gaps in the way medical image computing is pursued today; how a well-executed research platform can enable discovery, innovation and reproducible science ("Open Science"); and how our quest to build such a software platform has evolved into a productive and rewarding social engineering exercise in building an open-access community with a shared vision. PMID:27498015

  8. 3D Spectroscopy in Astronomy

    NASA Astrophysics Data System (ADS)

    Mediavilla, Evencio; Arribas, Santiago; Roth, Martin; Cepa-Nogué, Jordi; Sánchez, Francisco

    2011-09-01

    Preface; Acknowledgements; 1. Introductory review and technical approaches Martin M. Roth; 2. Observational procedures and data reduction James E. H. Turner; 3. 3D Spectroscopy instrumentation M. A. Bershady; 4. Analysis of 3D data Pierre Ferruit; 5. Science motivation for IFS and galactic studies F. Eisenhauer; 6. Extragalactic studies and future IFS science Luis Colina; 7. Tutorials: how to handle 3D spectroscopy data Sebastian F. Sánchez, Begona García-Lorenzo and Arlette Pécontal-Rousset.

  9. 3D Elevation Program—Virtual USA in 3D

    USGS Publications Warehouse

    Lukas, Vicki; Stoker, J.M.

    2016-01-01

    The U.S. Geological Survey (USGS) 3D Elevation Program (3DEP) uses a laser system called ‘lidar’ (light detection and ranging) to create a virtual reality map of the Nation that is very accurate. 3D maps have many uses with new uses being discovered all the time.  

  10. A comparison of 1D analytical model and 3D finite element analysis with experiments for a rosen-type piezoelectric transformer.

    PubMed

    Boukazouha, F; Poulin-Vittrant, G; Tran-Huu-Hue, L P; Bavencoffe, M; Boubenider, F; Rguiti, M; Lethiecq, M

    2015-07-01

    This article is dedicated to the study of Piezoelectric Transformers (PTs), which offer promising solutions to the increasing need for integrated power electronics modules within autonomous systems. The advantages offered by such transformers include: immunity to electromagnetic disturbances; ease of miniaturisation for example, using conventional micro fabrication processes; and enhanced performance in terms of voltage gain and power efficiency. Central to the adequate description of such transformers is the need for complex analytical modeling tools, especially if one is attempting to include combined contributions due to (i) mechanical phenomena owing to the different propagation modes which differ at the primary and secondary sides of the PT; and (ii) electrical phenomena such as the voltage gain and power efficiency, which depend on the electrical load. The present work demonstrates an original one-dimensional (1D) analytical model, dedicated to a Rosen-type PT and simulation results are successively compared against that of a three-dimensional (3D) Finite Element Analysis (COMSOL Multiphysics software) and experimental results. The Rosen-type PT studied here is based on a single layer soft PZT (P191) with corresponding dimensions 18 mm × 3 mm × 1.5 mm, which operated at the second harmonic of 176 kHz. Detailed simulational and experimental results show that the presented 1D model predicts experimental measurements to within less than 10% error of the voltage gain at the second and third resonance frequency modes. Adjustment of the analytical model parameters is found to decrease errors relative to experimental voltage gain to within 1%, whilst a 2.5% error on the output admittance magnitude at the second resonance mode were obtained. Relying on the unique assumption of one-dimensionality, the present analytical model appears as a useful tool for Rosen-type PT design and behavior understanding. PMID:25753623

  11. Yogi the rock - 3D

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Yogi, a rock taller than rover Sojourner, is the subject of this image, taken in stereo by the deployed Imager for Mars Pathfinder (IMP) on Sol 3. 3D glasses are necessary to identify surface detail. The soil in the foreground has been the location of multiple soil mechanics experiments performed by Sojourner's cleated wheels. Pathfinder scientists were able to control the force inflicted on the soil beneath the rover's wheels, giving them insight into the soil's mechanical properties. The soil mechanics experiments were conducted after this image was taken.

    Mars Pathfinder is the second in NASA's Discovery program of low-cost spacecraft with highly focused science goals. The Jet Propulsion Laboratory, Pasadena, CA, developed and manages the Mars Pathfinder mission for NASA's Office of Space Science, Washington, D.C. JPL is an operating division of the California Institute of Technology (Caltech). The Imager for Mars Pathfinder (IMP) was developed by the University of Arizona Lunar and Planetary Laboratory under contract to JPL. Peter Smith is the Principal Investigator.

    Click below to see the left and right views individually. [figure removed for brevity, see original site] Left [figure removed for brevity, see original site] Right

  12. The rendering context for stereoscopic 3D web

    NASA Astrophysics Data System (ADS)

    Chen, Qinshui; Wang, Wenmin; Wang, Ronggang

    2014-03-01

    3D technologies on the Web has been studied for many years, but they are basically monoscopic 3D. With the stereoscopic technology gradually maturing, we are researching to integrate the binocular 3D technology into the Web, creating a stereoscopic 3D browser that will provide users with a brand new experience of human-computer interaction. In this paper, we propose a novel approach to apply stereoscopy technologies to the CSS3 3D Transforms. Under our model, each element can create or participate in a stereoscopic 3D rendering context, in which 3D Transforms such as scaling, translation and rotation, can be applied and be perceived in a truly 3D space. We first discuss the underlying principles of stereoscopy. After that we discuss how these principles can be applied to the Web. A stereoscopic 3D browser with backward compatibility is also created for demonstration purposes. We take advantage of the open-source WebKit project, integrating the 3D display ability into the rendering engine of the web browser. For each 3D web page, our 3D browser will create two slightly different images, each representing the left-eye view and right-eye view, both to be combined on the 3D display to generate the illusion of depth. And as the result turns out, elements can be manipulated in a truly 3D space.

  13. Effect of viewing distance on 3D fatigue caused by viewing mobile 3D content

    NASA Astrophysics Data System (ADS)

    Mun, Sungchul; Lee, Dong-Su; Park, Min-Chul; Yano, Sumio

    2013-05-01

    With an advent of autostereoscopic display technique and increased needs for smart phones, there has been a significant growth in mobile TV markets. The rapid growth in technical, economical, and social aspects has encouraged 3D TV manufacturers to apply 3D rendering technology to mobile devices so that people have more opportunities to come into contact with many 3D content anytime and anywhere. Even if the mobile 3D technology leads to the current market growth, there is an important thing to consider for consistent development and growth in the display market. To put it briefly, human factors linked to mobile 3D viewing should be taken into consideration before developing mobile 3D technology. Many studies have investigated whether mobile 3D viewing causes undesirable biomedical effects such as motion sickness and visual fatigue, but few have examined main factors adversely affecting human health. Viewing distance is considered one of the main factors to establish optimized viewing environments from a viewer's point of view. Thus, in an effort to determine human-friendly viewing environments, this study aims to investigate the effect of viewing distance on human visual system when exposing to mobile 3D environments. Recording and analyzing brainwaves before and after watching mobile 3D content, we explore how viewing distance affects viewing experience from physiological and psychological perspectives. Results obtained in this study are expected to provide viewing guidelines for viewers, help ensure viewers against undesirable 3D effects, and lead to make gradual progress towards a human-friendly mobile 3D viewing.

  14. Modular 3-D Transport model

    EPA Science Inventory

    MT3D was first developed by Chunmiao Zheng in 1990 at S.S. Papadopulos & Associates, Inc. with partial support from the U.S. Environmental Protection Agency (USEPA). Starting in 1990, MT3D was released as a pubic domain code from the USEPA. Commercial versions with enhanced capab...

  15. Market study: 3-D eyetracker

    NASA Technical Reports Server (NTRS)

    1977-01-01

    A market study of a proposed version of a 3-D eyetracker for initial use at NASA's Ames Research Center was made. The commercialization potential of a simplified, less expensive 3-D eyetracker was ascertained. Primary focus on present and potential users of eyetrackers, as well as present and potential manufacturers has provided an effective means of analyzing the prospects for commercialization.

  16. LLNL-Earth3D

    2013-10-01

    Earth3D is a computer code designed to allow fast calculation of seismic rays and travel times through a 3D model of the Earth. LLNL is using this for earthquake location and global tomography efforts and such codes are of great interest to the Earth Science community.

  17. [3-D ultrasound in gastroenterology].

    PubMed

    Zoller, W G; Liess, H

    1994-06-01

    Three-dimensional (3D) sonography represents a development of noninvasive diagnostic imaging by real-time two-dimensional (2D) sonography. The use of transparent rotating scans, comparable to a block of glass, generates a 3D effect. The objective of the present study was to optimate 3D presentation of abdominal findings. Additional investigations were made with a new volumetric program to determine the volume of selected findings of the liver. The results were compared with the estimated volumes of 2D sonography and 2D computer tomography (CT). For the processing of 3D images, typical parameter constellations were found for the different findings, which facilitated processing of 3D images. In more than 75% of the cases examined we found an optimal 3D presentation of sonographic findings with respect to the evaluation criteria developed by us for the 3D imaging of processed data. Great differences were found for the estimated volumes of the findings of the liver concerning the three different techniques applied. 3D ultrasound represents a valuable method to judge morphological appearance in abdominal findings. The possibility of volumetric measurements enlarges its potential diagnostic significance. Further clinical investigations are necessary to find out if definite differentiation between benign and malign findings is possible. PMID:7919882

  18. 3D World Building System

    SciTech Connect

    2013-10-30

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  19. 3D World Building System

    ScienceCinema

    None

    2014-02-26

    This video provides an overview of the Sandia National Laboratories developed 3-D World Model Building capability that provides users with an immersive, texture rich 3-D model of their environment in minutes using a laptop and color and depth camera.

  20. PLOT3D user's manual

    NASA Technical Reports Server (NTRS)

    Walatka, Pamela P.; Buning, Pieter G.; Pierce, Larry; Elson, Patricia A.

    1990-01-01

    PLOT3D is a computer graphics program designed to visualize the grids and solutions of computational fluid dynamics. Seventy-four functions are available. Versions are available for many systems. PLOT3D can handle multiple grids with a million or more grid points, and can produce varieties of model renderings, such as wireframe or flat shaded. Output from PLOT3D can be used in animation programs. The first part of this manual is a tutorial that takes the reader, keystroke by keystroke, through a PLOT3D session. The second part of the manual contains reference chapters, including the helpfile, data file formats, advice on changing PLOT3D, and sample command files.

  1. 3D printing in dentistry.

    PubMed

    Dawood, A; Marti Marti, B; Sauret-Jackson, V; Darwood, A

    2015-12-01

    3D printing has been hailed as a disruptive technology which will change manufacturing. Used in aerospace, defence, art and design, 3D printing is becoming a subject of great interest in surgery. The technology has a particular resonance with dentistry, and with advances in 3D imaging and modelling technologies such as cone beam computed tomography and intraoral scanning, and with the relatively long history of the use of CAD CAM technologies in dentistry, it will become of increasing importance. Uses of 3D printing include the production of drill guides for dental implants, the production of physical models for prosthodontics, orthodontics and surgery, the manufacture of dental, craniomaxillofacial and orthopaedic implants, and the fabrication of copings and frameworks for implant and dental restorations. This paper reviews the types of 3D printing technologies available and their various applications in dentistry and in maxillofacial surgery. PMID:26657435

  2. A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

    PubMed Central

    Dona, Anthony C.; Kyriakides, Michael; Scott, Flora; Shephard, Elizabeth A.; Varshavi, Dorsa; Veselkov, Kirill; Everett, Jeremy R.

    2016-01-01

    Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice. PMID:27087910

  3. Deriving NMR surface relaxivities, pore size distributions and water retention curves by NMR relaxation experiments on partially de-saturated rocks

    NASA Astrophysics Data System (ADS)

    Mohnke, O.; Nordlund, C. L.; Klitzsch, N.

    2013-12-01

    Nuclear magnetic resonance (NMR) is a method used over a wide field of geophysical applications to non-destructively determine transport and storage properties of rocks and soils. In NMR relaxometry signal amplitudes correspond directly to the rock's fluid (water, oil) content. On the other hand the NMR relaxation behavior, i.e. the longitudinal (T1) and transverse (T2) NMR relaxation times, can be used to derive pore sizes and permeability as it is linearly linked to the pore's surface-to-volume-ratio and physiochemical properties of the rock-fluid interface by the surface relaxivity ρ_s This parameter, however, is dependent on the type and mineral constituents of the investigated rock sample and thus has to be determined and calibrated prior to estimating pore sizes from NMR relaxometry measurements. Frequently used methods to derive surface relaxivity to calibrate NMR pore sizes comprise mercury injection, pulsed field gradients (PFG-NMR) or grain size analysis. This study introduces an alternative approach to jointly estimate NMR surface relaxivity and pore radii distributions using NMR relaxation data obtained from partially de-saturated rocks. In this, inverse modeling is carried on a linked Young Laplace equation for capillary bundles and the Brownstein and Tarr equations. Subsequently, this approach is used to predict water retention curves of the investigated rocks. The method was tested and validated on simulated and laboratory transverse NMR data. Calculated inverse models are generally in a good agreement with results obtained from mercury injection and drainage measurements. Left: Measured and predicted water retention (pF) curves. Center: NMR relaxometry data, fit and error. Right: Mercury injection data (HgPor, dashed line) and jointly derived pore radii distributions and surface relaxivity by joint inverse modelling

  4. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITH TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  5. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITHOUT TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    PLOT3D is an interactive graphics program designed to help scientists visualize computational fluid dynamics (CFD) grids and solutions. Today, supercomputers and CFD algorithms can provide scientists with simulations of such highly complex phenomena that obtaining an understanding of the simulations has become a major problem. Tools which help the scientist visualize the simulations can be of tremendous aid. PLOT3D/AMES offers more functions and features, and has been adapted for more types of computers than any other CFD graphics program. Version 3.6b+ is supported for five computers and graphic libraries. Using PLOT3D, CFD physicists can view their computational models from any angle, observing the physics of problems and the quality of solutions. As an aid in designing aircraft, for example, PLOT3D's interactive computer graphics can show vortices, temperature, reverse flow, pressure, and dozens of other characteristics of air flow during flight. As critical areas become obvious, they can easily be studied more closely using a finer grid. PLOT3D is part of a computational fluid dynamics software cycle. First, a program such as 3DGRAPE (ARC-12620) helps the scientist generate computational grids to model an object and its surrounding space. Once the grids have been designed and parameters such as the angle of attack, Mach number, and Reynolds number have been specified, a "flow-solver" program such as INS3D (ARC-11794 or COS-10019) solves the system of equations governing fluid flow, usually on a supercomputer. Grids sometimes have as many as two million points, and the "flow-solver" produces a solution file which contains density, x- y- and z-momentum, and stagnation energy for each grid point. With such a solution file and a grid file containing up to 50 grids as input, PLOT3D can calculate and graphically display any one of 74 functions, including shock waves, surface pressure, velocity vectors, and particle traces. PLOT3D's 74 functions are organized into

  6. Report for in-situ 7Li NMR experiment in PNNL Phase -1

    SciTech Connect

    Hu, Jian Zhi

    2014-08-19

    To understand the detailed local structural evolution, an in-situ 7Li NMR study was performed. An operando identification of the lithium germanide phases under various cycling regimens permitted understanding of the kinetics of phase transition between different structural phases, including the amorphous phases, and how these correlated with capacity retention. Combining data from TEM and in-situ 7Li NMR, we discovered that the phase inter-conversion during cycling was mediated by co-existing amorphous and crystalline phases, and that the high capacity observed was correlated with an over-lithiated lithium germanide phase.

  7. 13C-NMR spectra and contact time experiment for Skjervatjern fulvic and humic acids

    USGS Publications Warehouse

    Malcolm, R.L.

    1992-01-01

    The T(CP) and T(1p) time constants for Skjervatjern fulvic and humic acids were determined to be short with T(CP) values ranging from 0.14 ms to 0.53 ms and T(1p) values ranging from 3.3 ms to 5.9 ms. T(CP) or T(1p) time constants at a contact time of 1 ms are favorable for quantification of 13C-NMR spectra. Because of the short T(CP) values, correction factors for signal intensity for various regions of the 13C-NMR spectra would be necessary at contact times greater than 1.1 ms or less than 0.9 ms. T(CP) and T(1p) values have a limited non-homogeneity within Skjervatjern fulvic and humic acids. A pulse delay or repeat time of 700 ms is more than adequate for quantification of these 13C-NMR spectra. Paramagnetic effects in these humic substances are precluded due to low inorganic ash contents, low contents of Fe, Mn, and Co, and low organic free-radical contents. The observed T(CP) values suggest that all the carbon types in Skjervatjern fulvic and humic acids are fully cross-polarized before significant proton relaxation occurs. The 13C-NMR spectra for Skjervatjern fulvic acid is similar to most aquatic fulvic acids as it is predominantly aliphatic, low in aromaticity (fa1 = 24), low in phenolic content, high in carboxyl content, and has no resolution of a methoxyl peak. The 13C-NMR spectra for Skjervatjern humic acid is also similar to most other aquatic humic acids in that it is also predominantly aliphatic, high in aromaticity (fa1 = 38), moderate in phenolic content, moderate in carboxyl content, and has a clear resolution of a methoxyl carbon region. After the consideration of the necessary 13C-NMR experimental conditions, these spectra are considered to be quantitative. With careful consideration of the previously determined 13C-NMR experimental conditions, quantitative spectra can be obtained for humic substances in the future from the HUMEX site. Possible changes in humic substances due to acidification should be determined from 13C-NMR data.

  8. High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection.

    PubMed

    Eghbalnia, Hamid R; Bahrami, Arash; Tonelli, Marco; Hallenga, Klaas; Markley, John L

    2005-09-14

    We describe a novel approach to the rapid collection and processing of multidimensional NMR data: "high-resolution iterative frequency identification for NMR" (HIFI-NMR). As with other reduced dimensionality approaches, HIFI-NMR collects n-dimensional data as a set of two-dimensional (2D) planes. The HIFI-NMR algorithm incorporates several innovative features. (1) Following the initial collection of two orthogonal 2D planes, tilted planes are selected adaptively, one-by-one. (2) Spectral space is analyzed in a rigorous statistical manner. (3) An online algorithm maintains a model that provides a probabilistic representation of the three-dimensional (3D) peak positions, derives the optimal angle for the next plane to be collected, and stops data collection when the addition of another plane would not improve the data model. (4) A robust statistical algorithm extracts information from the plane projections and is used to drive data collection. (5) Peak lists with associated probabilities are generated directly, without total reconstruction of the 3D spectrum; these are ready for use in subsequent assignment or structure determination steps. As a proof of principle, we have tested the approach with 3D triple-resonance experiments of the kind used to assign protein backbone and side-chain resonances. Peaks extracted automatically by HIFI-NMR, for both small and larger proteins, included approximately 98% of real peaks obtained from control experiments in which data were collected by conventional 3D methods. HIFI-NMR required about one-tenth the time for data collection and avoided subsequent data processing and peak-picking. The approach can be implemented on commercial NMR spectrometers and is extensible to higher-dimensional NMR. PMID:16144400

  9. A Rotation Invariant in 3-D Reaching

    ERIC Educational Resources Information Center

    Mitra, Suvobrata; Turvey, M. T.

    2004-01-01

    In 3 experiments, the authors investigated changes in hand orientation during a 3-D reaching task that imposed specific position and orientation requirements on the hand's initial and final postures. Instantaneous hand orientation was described using 3-element rotation vectors representing current orientation as a rotation from a fixed reference…

  10. NMR Constraints Analyser: a web-server for the graphical analysis of NMR experimental constraints.

    PubMed

    Heller, Davide Martin; Giorgetti, Alejandro

    2010-07-01

    Nuclear magnetic resonance (NMR) spectroscopy together with X-ray crystallography, are the main techniques used for the determination of high-resolution 3D structures of biological molecules. The output of an NMR experiment includes a set of lower and upper limits for the distances (constraints) between pairs of atoms. If the number of constraints is high enough, there will be a finite number of possible conformations (models) of the macromolecule satisfying the data. Thus, the more constraints are measured, the better defined these structures will be. The availability of a user-friendly tool able to help in the analysis and interpretation of the number of experimental constraints per residue, is thus of valuable importance when assessing the levels of structure definition of NMR solved biological macromolecules, in particular, when high-quality structures are needed in techniques such as, computational biology approaches, site-directed mutagenesis experiments and/or drug design. Here, we present a free publicly available web-server, i.e. NMR Constraints Analyser, which is aimed at providing an automatic graphical analysis of the NMR experimental constraints atom by atom. The NMR Constraints Analyser server is available from the web-page http://molsim.sci.univr.it/constraint. PMID:20513646

  11. CFL3D, FUN3d, and NSU3D Contributions to the Fifth Drag Prediction Workshop

    NASA Technical Reports Server (NTRS)

    Park, Michael A.; Laflin, Kelly R.; Chaffin, Mark S.; Powell, Nicholas; Levy, David W.

    2013-01-01

    Results presented at the Fifth Drag Prediction Workshop using CFL3D, FUN3D, and NSU3D are described. These are calculations on the workshop provided grids and drag adapted grids. The NSU3D results have been updated to reflect an improvement to skin friction calculation on skewed grids. FUN3D results generated after the workshop are included for custom participant generated grids and a grid from a previous workshop. Uniform grid refinement at the design condition shows a tight grouping in calculated drag, where the variation in the pressure component of drag is larger than the skin friction component. At this design condition, A fine-grid drag value was predicted with a smaller drag adjoint adapted grid via tetrahedral adaption to a metric and mixed-element subdivision. The buffet study produced larger variation than the design case, which is attributed to large differences in the predicted side-of-body separation extent. Various modeling and discretization approaches had a strong impact on predicted side-of-body separation. This large wing root separation bubble was not observed in wind tunnel tests indicating that more work is necessary in modeling wing root juncture flows to predict experiments.

  12. Determination of the hyperfine magnetic field in magnetic carbon-based materials: DFT calculations and NMR experiments

    PubMed Central

    Freitas, Jair C. C.; Scopel, Wanderlã L.; Paz, Wendel S.; Bernardes, Leandro V.; Cunha-Filho, Francisco E.; Speglich, Carlos; Araújo-Moreira, Fernando M.; Pelc, Damjan; Cvitanić, Tonči; Požek, Miroslav

    2015-01-01

    The prospect of carbon-based magnetic materials is of immense fundamental and practical importance, and information on atomic-scale features is required for a better understanding of the mechanisms leading to carbon magnetism. Here we report the first direct detection of the microscopic magnetic field produced at 13C nuclei in a ferromagnetic carbon material by zero-field nuclear magnetic resonance (NMR). Electronic structure calculations carried out in nanosized model systems with different classes of structural defects show a similar range of magnetic field values (18–21 T) for all investigated systems, in agreement with the NMR experiments. Our results are strong evidence of the intrinsic nature of defect-induced magnetism in magnetic carbons and establish the magnitude of the hyperfine magnetic field created in the neighbourhood of the defects that lead to magnetic order in these materials. PMID:26434597

  13. Determination of the hyperfine magnetic field in magnetic carbon-based materials: DFT calculations and NMR experiments

    NASA Astrophysics Data System (ADS)

    Freitas, Jair C. C.; Scopel, Wanderlã L.; Paz, Wendel S.; Bernardes, Leandro V.; Cunha-Filho, Francisco E.; Speglich, Carlos; Araújo-Moreira, Fernando M.; Pelc, Damjan; Cvitanić, Tonči; Požek, Miroslav

    2015-10-01

    The prospect of carbon-based magnetic materials is of immense fundamental and practical importance, and information on atomic-scale features is required for a better understanding of the mechanisms leading to carbon magnetism. Here we report the first direct detection of the microscopic magnetic field produced at 13C nuclei in a ferromagnetic carbon material by zero-field nuclear magnetic resonance (NMR). Electronic structure calculations carried out in nanosized model systems with different classes of structural defects show a similar range of magnetic field values (18-21 T) for all investigated systems, in agreement with the NMR experiments. Our results are strong evidence of the intrinsic nature of defect-induced magnetism in magnetic carbons and establish the magnitude of the hyperfine magnetic field created in the neighbourhood of the defects that lead to magnetic order in these materials.

  14. Determination of the hyperfine magnetic field in magnetic carbon-based materials: DFT calculations and NMR experiments.

    PubMed

    Freitas, Jair C C; Scopel, Wanderlã L; Paz, Wendel S; Bernardes, Leandro V; Cunha-Filho, Francisco E; Speglich, Carlos; Araújo-Moreira, Fernando M; Pelc, Damjan; Cvitanić, Tonči; Požek, Miroslav

    2015-01-01

    The prospect of carbon-based magnetic materials is of immense fundamental and practical importance, and information on atomic-scale features is required for a better understanding of the mechanisms leading to carbon magnetism. Here we report the first direct detection of the microscopic magnetic field produced at (13)C nuclei in a ferromagnetic carbon material by zero-field nuclear magnetic resonance (NMR). Electronic structure calculations carried out in nanosized model systems with different classes of structural defects show a similar range of magnetic field values (18-21 T) for all investigated systems, in agreement with the NMR experiments. Our results are strong evidence of the intrinsic nature of defect-induced magnetism in magnetic carbons and establish the magnitude of the hyperfine magnetic field created in the neighbourhood of the defects that lead to magnetic order in these materials. PMID:26434597

  15. Bioprinting of 3D hydrogels.

    PubMed

    Stanton, M M; Samitier, J; Sánchez, S

    2015-08-01

    Three-dimensional (3D) bioprinting has recently emerged as an extension of 3D material printing, by using biocompatible or cellular components to build structures in an additive, layer-by-layer methodology for encapsulation and culture of cells. These 3D systems allow for cell culture in a suspension for formation of highly organized tissue or controlled spatial orientation of cell environments. The in vitro 3D cellular environments simulate the complexity of an in vivo environment and natural extracellular matrices (ECM). This paper will focus on bioprinting utilizing hydrogels as 3D scaffolds. Hydrogels are advantageous for cell culture as they are highly permeable to cell culture media, nutrients, and waste products generated during metabolic cell processes. They have the ability to be fabricated in customized shapes with various material properties with dimensions at the micron scale. 3D hydrogels are a reliable method for biocompatible 3D printing and have applications in tissue engineering, drug screening, and organ on a chip models. PMID:26066320

  16. Arena3D: visualization of biological networks in 3D

    PubMed Central

    Pavlopoulos, Georgios A; O'Donoghue, Seán I; Satagopam, Venkata P; Soldatos, Theodoros G; Pafilis, Evangelos; Schneider, Reinhard

    2008-01-01

    Background Complexity is a key problem when visualizing biological networks; as the number of entities increases, most graphical views become incomprehensible. Our goal is to enable many thousands of entities to be visualized meaningfully and with high performance. Results We present a new visualization tool, Arena3D, which introduces a new concept of staggered layers in 3D space. Related data – such as proteins, chemicals, or pathways – can be grouped onto separate layers and arranged via layout algorithms, such as Fruchterman-Reingold, distance geometry, and a novel hierarchical layout. Data on a layer can be clustered via k-means, affinity propagation, Markov clustering, neighbor joining, tree clustering, or UPGMA ('unweighted pair-group method with arithmetic mean'). A simple input format defines the name and URL for each node, and defines connections or similarity scores between pairs of nodes. The use of Arena3D is illustrated with datasets related to Huntington's disease. Conclusion Arena3D is a user friendly visualization tool that is able to visualize biological or any other network in 3D space. It is free for academic use and runs on any platform. It can be downloaded or lunched directly from . Java3D library and Java 1.5 need to be pre-installed for the software to run. PMID:19040715

  17. Fdf in US3D

    NASA Astrophysics Data System (ADS)

    Otis, Collin; Ferrero, Pietro; Candler, Graham; Givi, Peyman

    2013-11-01

    The scalar filtered mass density function (SFMDF) methodology is implemented into the computer code US3D. This is an unstructured Eulerian finite volume hydrodynamic solver and has proven very effective for simulation of compressible turbulent flows. The resulting SFMDF-US3D code is employed for large eddy simulation (LES) on unstructured meshes. Simulations are conducted of subsonic and supersonic flows under non-reacting and reacting conditions. The consistency and the accuracy of the simulated results are assessed along with appraisal of the overall performance of the methodology. The SFMDF-US3D is now capable of simulating high speed flows in complex configurations.

  18. Electric dipole transitions for 3d64s-3d64p in Mn I

    NASA Astrophysics Data System (ADS)

    Kabakçı, Selda; Özdemir, Leyla; Usta, Betül Karaçoban

    2015-10-01

    We have calculated the logarithmic weighted oscillator strengths and transition probabilities (or rates) for 3d64s-3d64p electric dipole transitions in neutral manganese (Mn I, Z=25) by using two configuration interaction methods (the multiconfiguration Hartree-Fock (MCHF) method within the framework of Breit-Pauli relativistic corrections developed by Fischer and Cowan's relativistic Hartree-Fock (HFR) method). Results obtained have been compared with other calculations and experiments.

  19. Wavefront construction in 3-D

    SciTech Connect

    Chilcoat, S.R. Hildebrand, S.T.

    1995-12-31

    Travel time computation in inhomogeneous media is essential for pre-stack Kirchhoff imaging in areas such as the sub-salt province in the Gulf of Mexico. The 2D algorithm published by Vinje, et al, has been extended to 3D to compute wavefronts in complicated inhomogeneous media. The 3D wavefront construction algorithm provides many advantages over conventional ray tracing and other methods of computing travel times in 3D. The algorithm dynamically maintains a reasonably consistent ray density without making a priori guesses at the number of rays to shoot. The determination of caustics in 3D is a straight forward geometric procedure. The wavefront algorithm also enables the computation of multi-valued travel time surfaces.

  20. Heterodyne 3D ghost imaging

    NASA Astrophysics Data System (ADS)

    Yang, Xu; Zhang, Yong; Yang, Chenghua; Xu, Lu; Wang, Qiang; Zhao, Yuan

    2016-06-01

    Conventional three dimensional (3D) ghost imaging measures range of target based on pulse fight time measurement method. Due to the limit of data acquisition system sampling rate, range resolution of the conventional 3D ghost imaging is usually low. In order to take off the effect of sampling rate to range resolution of 3D ghost imaging, a heterodyne 3D ghost imaging (HGI) system is presented in this study. The source of HGI is a continuous wave laser instead of pulse laser. Temporal correlation and spatial correlation of light are both utilized to obtain the range image of target. Through theory analysis and numerical simulations, it is demonstrated that HGI can obtain high range resolution image with low sampling rate.

  1. Combinatorial 3D Mechanical Metamaterials

    NASA Astrophysics Data System (ADS)

    Coulais, Corentin; Teomy, Eial; de Reus, Koen; Shokef, Yair; van Hecke, Martin

    2015-03-01

    We present a class of elastic structures which exhibit 3D-folding motion. Our structures consist of cubic lattices of anisotropic unit cells that can be tiled in a complex combinatorial fashion. We design and 3d-print this complex ordered mechanism, in which we combine elastic hinges and defects to tailor the mechanics of the material. Finally, we use this large design space to encode smart functionalities such as surface patterning and multistability.

  2. Future trends of 3D silicon sensors

    NASA Astrophysics Data System (ADS)

    Da Vià, Cinzia; Boscardin, Maurizio; Dalla Betta, Gian-Franco; Haughton, Iain; Grenier, Philippe; Grinstein, Sebastian; Hansen, Thor-Erik; Hasi, Jasmine; Kenney, Christopher; Kok, Angela; Parker, Sherwood; Pellegrini, Giulio; Povoli, Marco; Tzhnevyi, Vladislav; Watts, Stephen J.

    2013-12-01

    Vertex detectors for the next LHC experiments upgrades will need to have low mass while at the same time be radiation hard and with sufficient granularity to fulfil the physics challenges of the next decade. Based on the gained experience with 3D silicon sensors for the ATLAS IBL project and the on-going developments on light materials, interconnectivity and cooling, this paper will discuss possible solutions to these requirements.

  3. Solution NMR Experiment for Measurement of (15)N-(1)H Residual Dipolar Couplings in Large Proteins and Supramolecular Complexes.

    PubMed

    Eletsky, Alexander; Pulavarti, Surya V S R K; Beaumont, Victor; Gollnick, Paul; Szyperski, Thomas

    2015-09-01

    NMR residual dipolar couplings (RDCs) are exquisite probes of protein structure and dynamics. A new solution NMR experiment named 2D SE2 J-TROSY is presented to measure N-H RDCs for proteins and supramolecular complexes in excess of 200 kDa. This enables validation and refinement of their X-ray crystal and solution NMR structures and the characterization of structural and dynamic changes occurring upon complex formation. Accurate N-H RDCs were measured at 750 MHz (1)H resonance frequency for 11-mer 93 kDa (2)H,(15)N-labeled Trp RNA-binding attenuator protein tumbling with a correlation time τc of 120 ns. This is about twice as long as that for the most slowly tumbling system, for which N-H RDCs could be measured, so far, and corresponds to molecular weights of ∼200 kDa at 25 °C. Furthermore, due to the robustness of SE2 J-TROSY with respect to residual (1)H density from exchangeable protons, increased sensitivity at (1)H resonance frequencies around 1 GHz promises to enable N-H RDC measurement for even larger systems. PMID:26293598

  4. NMR of Membrane Proteins: Beyond Crystals.

    PubMed

    Rajesh, Sundaresan; Overduin, Michael; Bonev, Boyan B

    2016-01-01

    Membrane proteins are essential for the flow of signals, nutrients and energy between cells and between compartments of the cell. Their mechanisms can only be fully understood once the precise structures, dynamics and interactions involved are defined at atomic resolution. Through advances in solution and solid state NMR spectroscopy, this information is now available, as demonstrated by recent studies of stable peripheral and transmembrane proteins. Here we highlight recent cases of G-protein coupled receptors, outer membrane proteins, such as VDAC, phosphoinositide sensors, such as the FAPP-1 pleckstrin homology domain, and enzymes including the metalloproteinase MMP-12. The studies highlighted have resulted in the determination of the 3D structures, dynamical properties and interaction surfaces for membrane-associated proteins using advanced isotope labelling strategies, solubilisation systems and NMR experiments designed for very high field magnets. Solid state NMR offers further insights into the structure and multimeric assembly of membrane proteins in lipid bilayers, as well as into interactions with ligands and targets. Remaining challenges for wider application of NMR to membrane structural biology include the need for overexpression and purification systems for the production of isotope-labelled proteins with fragile folds, and the availability of only a few expensive perdeuterated detergents.Step changes that may transform the field include polymers, such as styrene maleic acid, which obviate the need for detergent altogether, and allow direct high yield purification from cells or membranes. Broader demand for NMR may be facilitated by MODA software, which instantly predicts membrane interactive residues that can subsequently be validated by NMR. In addition, recent developments in dynamic nuclear polarization NMR instrumentation offer a remarkable sensitivity enhancement from low molarity samples and cell surfaces. These advances illustrate the current

  5. Structural Biology by NMR: Structure, Dynamics, and Interactions

    PubMed Central

    Markwick, Phineus R. L.; Malliavin, Thérèse; Nilges, Michael

    2008-01-01

    The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time-scales from picoseconds to seconds. Nuclear Magnetic Resonance (NMR) spectroscopy has emerged as the method of choice for studying both protein structure and dynamics in solution. Typically, NMR experiments are sensitive both to structural features and to dynamics, and hence the measured data contain information on both. Despite major progress in both experimental approaches and computational methods, obtaining a consistent view of structure and dynamics from experimental NMR data remains a challenge. Molecular dynamics simulations have emerged as an indispensable tool in the analysis of NMR data. PMID:18818721

  6. Preoperative planning for DIEP breast reconstruction: early experience of the use of computerised tomography angiography with VoNavix 3D software for perforator navigation.

    PubMed

    Pacifico, M D; See, M S; Cavale, N; Collyer, J; Francis, I; Jones, M E; Hazari, A; Boorman, J G; Smith, R W

    2009-11-01

    The deep inferior epigastric perforator (DIEP) flap is normally the first choice in breast reconstruction; however, due to the considerable vascular anatomical variation and the learning curve for the procedure, muscle-sparing transverse rectus abdominis musculocutaneous (TRAM) flaps are still frequently performed to reduce the rate of complications. Accurate preoperative investigation of the perforators would allow better operative preparation and possibly shorten the learning curve. In an effort to increase accuracy of preoperative planning and to aid preoperative decision-making in free abdominal flap breast reconstruction, we have acquired the use of VoNavix, software that creates three dimensional images from computerised tomography angiography (CTA) data. The use of the VoNavix software for analysis of CTA provides superior imaging that can be viewed in theatre. It, together with CTA, enables decisions to be made preoperatively, including: which side to raise the flap; whether to aim for a medial or lateral row perforator; whether to take a segment of muscle and whether to expect an easy or difficult dissection. We have now performed over 60 free abdominal flap breast reconstructions aided with CTA, and 10 of these cases also used VoNavix technology. This paper presents our initial experience with the use of this software, illustrated with three patient examples. The advantages and disadvantages are discussed. PMID:18708309

  7. HARLIE 3-D Aerosol Backscatter and Wind Profile Measurements During Recent Field Experiments: Background Noise Reduction with a Fabry-Perot Etalon Filter in the HARLIE System

    NASA Technical Reports Server (NTRS)

    Lee, Sangwoo; Miller, David O.; Schwemmer, Geary; Wilkerson, Thomas D.; Andrus, Ionio; Egbert, Cameron; Anderson, Mark; Starr, David OC. (Technical Monitor)

    2002-01-01

    Background noise reduction of War signals is one of the most important factors in achieving better signal to noise ratio and precise atmospheric data from Mar measurements. Fahey Perot etalons have been used in several lidar systems as narrow band pass filters in the reduction of scattered sunlight. An slalom with spectral bandwidth, (Delta)v=0.23/cm, free spectral range, FSR=6.7/cm, and diameter, d=24mm was installed in a fiber coupled box which included a 500 pm bandwidth interference Filter. The slalom box couples the telescope and detector with 200 pm core fibers and 21 mm focal length collimators. The angular magnification is M=48. The etalon box was inserted into the Holographic Airborne Rotating Lidar Instrument Experiment (HARLIE) system and tested during the HARGLO-2 intercomparison campaign conducted in November 2001 at Wallops Island, Virginia. This paper presents the preliminary test results of the slalom and a complete analysis will be presented at the conference.

  8. Problem-dependent 3-d Inversion of P-wave Arrivals From Local Events Recorded During The Svekalapko Deep Seismic Experiment In Finland

    NASA Astrophysics Data System (ADS)

    Kozlovskaya, E.; Hjelt, S.-E.; Yliniemi, J.; Korhonen, J.; Elo, S.; Svekalapko Seismic Tomography Working Group

    The SVEKALAPKO temporary seismic array was originally designed for studying the lithospheric structure beneath the southern Finland by means of teleseismic events. In addition, the high quality recordings of local seismic events (earthquakes and quarry blasts) registered by the SVEKALAPKO array contain a lot of information about the structure of the upper lithosphere beneath the southern Finland. However, the traditional local event tomography of SVEKALAPKO data cannot result in the ve- locity model valid for proper geological interpretation. The main reasons for this is the lack of the space resolution, which results in strong non-uniqueness of the to- mographic inversion. This problem can be treated by introducing various kinds of a-priori information into the inversion algorithm. The a-priori information available for the SVEKALAPKO study area includes not only the information from previous control source seismic experiments, but also potential fields data and petrophysical data. Usage of such a non-homogeneous a-priori information required a problem- dependent algorithm of seismic data inversion, which was developed on the base of non-probabilistic uncertainty measures. An example of this algorithm application to SVEKALAPKO local seismic event data is presented.

  9. A High-Pressure, High-Resolution NMR Probe for Experiments at 500 MHz

    NASA Astrophysics Data System (ADS)

    Ballard, Lance; Yu, Aimee; Reiner, Carl; Jonas, Jiri

    1998-07-01

    A novel high-pressure, high-resolution NMR probe is described which operates at a frequency of 500 MHz. The design features an alternative RF coil (8 mm sample tube) for high frequency, sensitivity, probe power, and resolution (< 3.0 × 10-9). The probe is capable of pressures to at least 5 kbar over a temperature range of -30 to 80°C, and has a double-tuned1H/2H circuit which can tune at1H frequencies of either 300 or 500 MHz. The sensitivity of the 300-MHz circuit is over twice that of previous 10-mm high-pressure NMR probe designs, while at 500 MHz the sensitivity is nearly five times that of previous 300-MHz pressure probes. Potential biochemical applications are demonstrated by 2D NOESY spectra of a Troponin C mutant.

  10. From 3D view to 3D print

    NASA Astrophysics Data System (ADS)

    Dima, M.; Farisato, G.; Bergomi, M.; Viotto, V.; Magrin, D.; Greggio, D.; Farinato, J.; Marafatto, L.; Ragazzoni, R.; Piazza, D.

    2014-08-01

    In the last few years 3D printing is getting more and more popular and used in many fields going from manufacturing to industrial design, architecture, medical support and aerospace. 3D printing is an evolution of bi-dimensional printing, which allows to obtain a solid object from a 3D model, realized with a 3D modelling software. The final product is obtained using an additive process, in which successive layers of material are laid down one over the other. A 3D printer allows to realize, in a simple way, very complex shapes, which would be quite difficult to be produced with dedicated conventional facilities. Thanks to the fact that the 3D printing is obtained superposing one layer to the others, it doesn't need any particular work flow and it is sufficient to simply draw the model and send it to print. Many different kinds of 3D printers exist based on the technology and material used for layer deposition. A common material used by the toner is ABS plastics, which is a light and rigid thermoplastic polymer, whose peculiar mechanical properties make it diffusely used in several fields, like pipes production and cars interiors manufacturing. I used this technology to create a 1:1 scale model of the telescope which is the hardware core of the space small mission CHEOPS (CHaracterising ExOPlanets Satellite) by ESA, which aims to characterize EXOplanets via transits observations. The telescope has a Ritchey-Chrétien configuration with a 30cm aperture and the launch is foreseen in 2017. In this paper, I present the different phases for the realization of such a model, focusing onto pros and cons of this kind of technology. For example, because of the finite printable volume (10×10×12 inches in the x, y and z directions respectively), it has been necessary to split the largest parts of the instrument in smaller components to be then reassembled and post-processed. A further issue is the resolution of the printed material, which is expressed in terms of layers

  11. Using 31P-NMR to investigate dynamics of soil phosphorus compounds in the Rothamsted Long Term Experiments

    NASA Astrophysics Data System (ADS)

    Blackwell, Martin; Turner, Ben; Granger, Steve; Hooper, Tony; Darch, Tegan; Hawkins, Jane; Yuan, Huimin; McGrath, Steve

    2015-04-01

    The technique of 31P-NMR spectroscopy has done more to advance the knowledge of phosphorus forms (especially organic phosphorus) in environmental samples than any other method. The technique has advanced such that specific compounds can be identified where previously only broad categories such as orthophosphate monoesters and diesters were distinguishable. The Soil Archive and Long Term Experiments at Rothamsted Research, UK, potentially provides an unequalled opportunity to use this technique to observe changes in soil phosphorus compounds with time and under different treatments, thereby enhancing our understanding of phosphorus cycling and use by plants. Some of the earliest work using this technique on soils was carried out by Hawkes et al. in 1984 and this used soils from two of the oldest Rothamsted Long Term Experiments, namely Highfield and Park Grass. Here we revisit the samples studied in this early work and reanalyse them using current methodology to demonstrate how the 31P-NMR technique has advanced. We also present results from a study on the phosphorus chemistry in soils along the Hoosfield acid strip (Rothamsted, UK), where a pH gradient from 3.7 to 7.8 occurs in a single soil with little variation in total phosphorus (mean ± standard deviation 399 ± 27 mg P kg-1). Soil pH was found to be an important factor in determining the proportion of phosphomonoesters and phosphodiesters in the soil organic phosphorus, although total organic phosphorus concentrations were a relatively consistent proportion of the total soil phosphorus (36 ± 2%) irrespective of soil pH. Key words. 31P-NMR, soil organic phosphorus, long term experiments, Hoosfield acid strip

  12. Proton-detected 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H-1H RFDR mixing on a natural abundant sample under ultrafast MAS

    NASA Astrophysics Data System (ADS)

    Pandey, Manoj Kumar; Nishiyama, Yusuke

    2015-09-01

    In this contribution, we have demonstrated a proton detection-based approach on a natural abundant powdered L-Histidine HCl-H2O sample at ultrafast magic angle spinning (MAS) to accomplish 14N/14N correlation from a 3D 14N/14N/1H isotropic shift correlation experiment mediated through 1H finite-pulse radio frequency-driven recoupling (fp-RFDR). Herein the heteronuclear magnetization transfer between 14N and 1H has been achieved by HMQC experiment, whereas 14N/14N correlation is attained through enhanced 1H-1H spin diffusion process due to 1H-1H dipolar recoupling during the RFDR mixing. While the use of ultrafast MAS (90 kHz) provides sensitivity enhancement through increased 1H transverse relaxation time (T2), the use of micro-coil probe which can withstand strong 14N radio frequency (RF) fields further improves the sensitivity per unit sample volume.

  13. Preferential upward flow in soils: A 3D comparison of modeled and ERT-derived data from a salt tracer experiment under evaporation conditions

    NASA Astrophysics Data System (ADS)

    Bechtold, Michel; Vanderborght, Jan; Herbst, Michael; Weihermueller, Lutz; Kasteel, Roy; Ippisch, Olaf; Guenther, Thomas; Vereecken, Harry

    2010-05-01

    Upward water flow induced by evaporation or groundwater level rise can cause soil salinization and transport of contaminants to the soil surface. A limitation for the prediction of upward transport using numerical models might be an incomplete process description of this transport within the models, especially under consideration of heterogeneous structures. In contrast to infiltration conditions, few experimental datasets of transport under upward flow conditions that can be used to test existing models exist. Therefore, we studied upward transport at the pedon-scale in a laboratory soil with a defined heterogeneity and controlled upper and lower boundary conditions. A second aim was the assessment of the potential of Electrical Resistivity Tomography (ERT) to image and characterize upward transport and to use these temporal and spatial highly resolved experimental data to validate current model approaches. Using stochastic simulation, we designed a laboratory soil composed of three materials, which represent a correlated indicator field with horizontal and vertical heterogeneity. A salt tracer experiment was performed over 40 days with steady-state upward flow. Constant evaporation conditions were established using an air-conditioning chamber. A constant water level with the tracer solution was imposed at the lower boundary. ERT results showed solute mass flowing upwards along a few preferential pathways and accumulating heterogeneously at the soil surface. Three-dimensional numerical simulations based on Richards' and the convection-dispersion equation satisfactorily described solute transport in the lower part of the soil, whereas closer to the surface larger discrepancies occurred. On the experimental side, uncertainties in the petrophysical relationship and spatial smoothing inherent to the applied Occam-type smoothness constrained geophysical inversion contributed to observed deviations between ERT and model results. Comparing measured with modeled (using

  14. A Novel High-Resolution and Sensitivity-Enhanced Three-Dimensional Solid-State NMR Experiment Under Ultrafast Magic Angle Spinning Conditions.

    PubMed

    Zhang, Rongchun; Pandey, Manoj Kumar; Nishiyama, Yusuke; Ramamoorthy, Ayyalusamy

    2015-01-01

    Although magic angle spinning (MAS) solid-state NMR is a powerful technique to obtain atomic-resolution insights into the structure and dynamics of a variety of chemical and biological solids, poor sensitivity has severely limited its applications. In this study, we demonstrate an approach that suitably combines proton-detection, ultrafast-MAS and multiple frequency dimensions to overcome this limitation. With the utilization of proton-proton dipolar recoupling and double quantum (DQ) coherence excitation/reconversion radio-frequency pulses, very high-resolution proton-based 3D NMR spectra that correlate single-quantum (SQ), DQ and SQ coherences of biological solids have been obtained successfully for the first time. The proposed technique requires a very small amount of sample and does not need multiple radio-frequency (RF) channels. It also reveals information about the proximity between a spin and a certain other dipolar-coupled pair of spins in addition to regular SQ/DQ and SQ/SQ correlations. Although (1)H spectral resolution is still limited for densely proton-coupled systems, the 3D technique is valuable to study dilute proton systems, such as zeolites, small molecules, or deuterated samples. We also believe that this new methodology will aid in the design of a plethora of multidimensional NMR techniques and enable high-throughput investigation of an exciting class of solids at atomic-level resolution. PMID:26138791

  15. YouDash3D: exploring stereoscopic 3D gaming for 3D movie theaters

    NASA Astrophysics Data System (ADS)

    Schild, Jonas; Seele, Sven; Masuch, Maic

    2012-03-01

    Along with the success of the digitally revived stereoscopic cinema, events beyond 3D movies become attractive for movie theater operators, i.e. interactive 3D games. In this paper, we present a case that explores possible challenges and solutions for interactive 3D games to be played by a movie theater audience. We analyze the setting and showcase current issues related to lighting and interaction. Our second focus is to provide gameplay mechanics that make special use of stereoscopy, especially depth-based game design. Based on these results, we present YouDash3D, a game prototype that explores public stereoscopic gameplay in a reduced kiosk setup. It features live 3D HD video stream of a professional stereo camera rig rendered in a real-time game scene. We use the effect to place the stereoscopic effigies of players into the digital game. The game showcases how stereoscopic vision can provide for a novel depth-based game mechanic. Projected trigger zones and distributed clusters of the audience video allow for easy adaptation to larger audiences and 3D movie theater gaming.

  16. Remote 3D Medical Consultation

    NASA Astrophysics Data System (ADS)

    Welch, Greg; Sonnenwald, Diane H.; Fuchs, Henry; Cairns, Bruce; Mayer-Patel, Ketan; Yang, Ruigang; State, Andrei; Towles, Herman; Ilie, Adrian; Krishnan, Srinivas; Söderholm, Hanna M.

    Two-dimensional (2D) video-based telemedical consultation has been explored widely in the past 15-20 years. Two issues that seem to arise in most relevant case studies are the difficulty associated with obtaining the desired 2D camera views, and poor depth perception. To address these problems we are exploring the use of a small array of cameras to synthesize a spatially continuous range of dynamic three-dimensional (3D) views of a remote environment and events. The 3D views can be sent across wired or wireless networks to remote viewers with fixed displays or mobile devices such as a personal digital assistant (PDA). The viewpoints could be specified manually or automatically via user head or PDA tracking, giving the remote viewer virtual head- or hand-slaved (PDA-based) remote cameras for mono or stereo viewing. We call this idea remote 3D medical consultation (3DMC). In this article we motivate and explain the vision for 3D medical consultation; we describe the relevant computer vision/graphics, display, and networking research; we present a proof-of-concept prototype system; and we present some early experimental results supporting the general hypothesis that 3D remote medical consultation could offer benefits over conventional 2D televideo.

  17. Speaking Volumes About 3-D

    NASA Technical Reports Server (NTRS)

    2002-01-01

    In 1999, Genex submitted a proposal to Stennis Space Center for a volumetric 3-D display technique that would provide multiple users with a 360-degree perspective to simultaneously view and analyze 3-D data. The futuristic capabilities of the VolumeViewer(R) have offered tremendous benefits to commercial users in the fields of medicine and surgery, air traffic control, pilot training and education, computer-aided design/computer-aided manufacturing, and military/battlefield management. The technology has also helped NASA to better analyze and assess the various data collected by its satellite and spacecraft sensors. Genex capitalized on its success with Stennis by introducing two separate products to the commercial market that incorporate key elements of the 3-D display technology designed under an SBIR contract. The company Rainbow 3D(R) imaging camera is a novel, three-dimensional surface profile measurement system that can obtain a full-frame 3-D image in less than 1 second. The third product is the 360-degree OmniEye(R) video system. Ideal for intrusion detection, surveillance, and situation management, this unique camera system offers a continuous, panoramic view of a scene in real time.

  18. Optimization of an absolute sensitivity in a glassy matrix during DNP-enhanced multidimensional solid-state NMR experiments.

    PubMed

    Takahashi, Hiroki; Fernández-de-Alba, Carlos; Lee, Daniel; Maurel, Vincent; Gambarelli, Serge; Bardet, Michel; Hediger, Sabine; Barra, Anne-Laure; De Paëpe, Gaël

    2014-02-01

    Thanks to instrumental and theoretical development, notably the access to high-power and high-frequency microwave sources, high-field dynamic nuclear polarization (DNP) on solid-state NMR currently appears as a promising solution to enhance nuclear magnetization in many different types of systems. In magic-angle-spinning DNP experiments, systems of interest are usually dissolved or suspended in glass-forming matrices doped with polarizing agents and measured at low temperature (down to ∼100K). In this work, we discuss the influence of sample conditions (radical concentration, sample temperature, etc.) on DNP enhancements and various nuclear relaxation times which affect the absolute sensitivity of DNP spectra, especially in multidimensional experiments. Furthermore, DNP-enhanced solid-state NMR experiments performed at 9.4 T are complemented by high-field CW EPR measurements performed at the same magnetic field. Microwave absorption by the DNP glassy matrix is observed even below the glass transition temperature caused by softening of the glass. Shortening of electron relaxation times due to glass softening and its impact in terms of DNP sensitivity is discussed. PMID:24480716

  19. Hartmann-Hahn 2D-map to optimize the RAMP-CPMAS NMR experiment for pharmaceutical materials.

    PubMed

    Suzuki, Kazuko; Martineau, Charlotte; Fink, Gerhard; Steuernagel, Stefan; Taulelle, Francis

    2012-02-01

    Cross polarization-magic angle spinning (CPMAS) is the most used experiment for solid-state NMR measurements in the pharmaceutical industry, with the well-known variant RAMP-CPMAS its dominant implementation. The experimental work presented in this contribution focuses on the entangled effects of the main parameters of such an experiment. The shape of the RAMP-CP pulse has been considered as well as the contact time duration, and a particular attention also has been devoted to the radio-frequency (RF) field inhomogeneity. (13)C CPMAS NMR spectra have been recorded with a systematic variation of (13)C and (1)H constant radiofrequency field pair values and represented as a Hartmann-Hahn matching two-dimensional map. Such a map yields a rational overview of the intricate optimal conditions necessary to achieve an efficient CP magnetization transfer. The map also highlights the effects of sweeping the RF by the RAMP-CP pulse on the number of Hartmann-Hahn matches crossed and how RF field inhomogeneity helps in increasing the CP efficiency by using a larger fraction of the sample. In the light of the results, strategies for optimal RAMP-CPMAS measurements are suggested, which lead to a much higher efficiency than constant amplitude CP experiment. PMID:22367881

  20. Optimization of an absolute sensitivity in a glassy matrix during DNP-enhanced multidimensional solid-state NMR experiments

    NASA Astrophysics Data System (ADS)

    Takahashi, Hiroki; Fernández-de-Alba, Carlos; Lee, Daniel; Maurel, Vincent; Gambarelli, Serge; Bardet, Michel; Hediger, Sabine; Barra, Anne-Laure; De Paëpe, Gaël

    2014-02-01

    Thanks to instrumental and theoretical development, notably the access to high-power and high-frequency microwave sources, high-field dynamic nuclear polarization (DNP) on solid-state NMR currently appears as a promising solution to enhance nuclear magnetization in many different types of systems. In magic-angle-spinning DNP experiments, systems of interest are usually dissolved or suspended in glass-forming matrices doped with polarizing agents and measured at low temperature (down to ∼100 K). In this work, we discuss the influence of sample conditions (radical concentration, sample temperature, etc.) on DNP enhancements and various nuclear relaxation times which affect the absolute sensitivity of DNP spectra, especially in multidimensional experiments. Furthermore, DNP-enhanced solid-state NMR experiments performed at 9.4 T are complemented by high-field CW EPR measurements performed at the same magnetic field. Microwave absorption by the DNP glassy matrix is observed even below the glass transition temperature caused by softening of the glass. Shortening of electron relaxation times due to glass softening and its impact in terms of DNP sensitivity is discussed.

  1. High-Resolution Iterative Frequency Identification for NMR as a General Strategy for Multidimensional Data Collection

    PubMed Central

    Bahrami, Arash; Tonelli, Marco; Hallenga, Klaas; Markley, John L.

    2015-01-01

    We describe a novel approach to the rapid collection and processing of multidimensional NMR data: “high-resolution iterative frequency identification for NMR” (HIFI–NMR). As with other reduced dimensionality approaches, HIFI–NMR collects n-dimensional data as a set of two-dimensional (2D) planes. The HIFI–NMR algorithm incorporates several innovative features. (1) Following the initial collection of two orthogonal 2D planes, tilted planes are selected adaptively, one-by-one. (2) Spectral space is analyzed in a rigorous statistical manner. (3) An online algorithm maintains a model that provides a probabilistic representation of the three-dimensional (3D) peak positions, derives the optimal angle for the next plane to be collected, and stops data collection when the addition of another plane would not improve the data model. (4) A robust statistical algorithm extracts information from the plane projections and is used to drive data collection. (5) Peak lists with associated probabilities are generated directly, without total reconstruction of the 3D spectrum; these are ready for use in subsequent assignment or structure determination steps. As a proof of principle, we have tested the approach with 3D triple-resonance experiments of the kind used to assign protein backbone and side-chain resonances. Peaks extracted automatically by HIFI–NMR, for both small and larger proteins, included ~98% of real peaks obtained from control experiments in which data were collected by conventional 3D methods. HIFI–NMR required about one-tenth the time for data collection and avoided subsequent data processing and peak-picking. The approach can be implemented on commercial NMR spectrometers and is extensible to higher-dimensional NMR. PMID:16144400

  2. ¹¹³Cd NMR experiments reveal an unusual metal cluster in the solution structure of the yeast splicing protein Bud31p.

    PubMed

    van Roon, Anne-Marie M; Yang, Ji-Chun; Mathieu, Daniel; Bermel, Wolfgang; Nagai, Kiyoshi; Neuhaus, David

    2015-04-13

    Establishing the binding topology of structural zinc ions in proteins is an essential part of their structure determination by NMR spectroscopy. Using (113)Cd NMR experiments with (113)Cd-substituted samples is a useful approach but has previously been limited mainly to very small protein domains. Here we used (113)Cd NMR spectroscopy during structure determination of Bud31p, a 157-residue yeast protein containing an unusual Zn3Cys9 cluster, demonstrating that recent hardware developments make this approach feasible for significantly larger systems. PMID:25703931

  3. 113Cd NMR Experiments Reveal an Unusual Metal Cluster in the Solution Structure of the Yeast Splicing Protein Bud31p**

    PubMed Central

    van Roon, Anne-Marie M; Yang, Ji-Chun; Mathieu, Daniel; Bermel, Wolfgang; Nagai, Kiyoshi; Neuhaus, David

    2015-01-01

    Establishing the binding topology of structural zinc ions in proteins is an essential part of their structure determination by NMR spectroscopy. Using 113Cd NMR experiments with 113Cd-substituted samples is a useful approach but has previously been limited mainly to very small protein domains. Here we used 113Cd NMR spectroscopy during structure determination of Bud31p, a 157-residue yeast protein containing an unusual Zn3Cys9 cluster, demonstrating that recent hardware developments make this approach feasible for significantly larger systems. PMID:25703931

  4. Identification of an Unknown Compound by Combined Use of IR, [to the first power]H NMR, [to the thirteenth power]C NMR, and Mass Spectrometry: A Real-Life Experience in Structure Determination

    ERIC Educational Resources Information Center

    Liotta, Louis J.; James-Pederson, Magdalena

    2008-01-01

    In this introductory organic chemistry experiment, the students get an opportunity to analyze and identify an unknown compound as it is done in a real-laboratory setting. First, students are instructed on the proper operation of three major instruments, NMR, IR, and GC-MS, and are given a sample of an unknown compound. The students are expected to…

  5. Automatic 2D-to-3D image conversion using 3D examples from the internet

    NASA Astrophysics Data System (ADS)

    Konrad, J.; Brown, G.; Wang, M.; Ishwar, P.; Wu, C.; Mukherjee, D.

    2012-03-01

    The availability of 3D hardware has so far outpaced the production of 3D content. Although to date many methods have been proposed to convert 2D images to 3D stereopairs, the most successful ones involve human operators and, therefore, are time-consuming and costly, while the fully-automatic ones have not yet achieved the same level of quality. This subpar performance is due to the fact that automatic methods usually rely on assumptions about the captured 3D scene that are often violated in practice. In this paper, we explore a radically different approach inspired by our work on saliency detection in images. Instead of relying on a deterministic scene model for the input 2D image, we propose to "learn" the model from a large dictionary of stereopairs, such as YouTube 3D. Our new approach is built upon a key observation and an assumption. The key observation is that among millions of stereopairs available on-line, there likely exist many stereopairs whose 3D content matches that of the 2D input (query). We assume that two stereopairs whose left images are photometrically similar are likely to have similar disparity fields. Our approach first finds a number of on-line stereopairs whose left image is a close photometric match to the 2D query and then extracts depth information from these stereopairs. Since disparities for the selected stereopairs differ due to differences in underlying image content, level of noise, distortions, etc., we combine them by using the median. We apply the resulting median disparity field to the 2D query to obtain the corresponding right image, while handling occlusions and newly-exposed areas in the usual way. We have applied our method in two scenarios. First, we used YouTube 3D videos in search of the most similar frames. Then, we repeated the experiments on a small, but carefully-selected, dictionary of stereopairs closely matching the query. This, to a degree, emulates the results one would expect from the use of an extremely large 3D

  6. 3D-Printed Microfluidics.

    PubMed

    Au, Anthony K; Huynh, Wilson; Horowitz, Lisa F; Folch, Albert

    2016-03-14

    The advent of soft lithography allowed for an unprecedented expansion in the field of microfluidics. However, the vast majority of PDMS microfluidic devices are still made with extensive manual labor, are tethered to bulky control systems, and have cumbersome user interfaces, which all render commercialization difficult. On the other hand, 3D printing has begun to embrace the range of sizes and materials that appeal to the developers of microfluidic devices. Prior to fabrication, a design is digitally built as a detailed 3D CAD file. The design can be assembled in modules by remotely collaborating teams, and its mechanical and fluidic behavior can be simulated using finite-element modeling. As structures are created by adding materials without the need for etching or dissolution, processing is environmentally friendly and economically efficient. We predict that in the next few years, 3D printing will replace most PDMS and plastic molding techniques in academia. PMID:26854878

  7. 13C direct detected COCO-TOCSY: A tool for sequence specific assignment and structure determination in protonless NMR experiments

    NASA Astrophysics Data System (ADS)

    Balayssac, Stéphane; Jiménez, Beatriz; Piccioli, Mario

    2006-10-01

    A novel experiment is proposed to provide inter-residue sequential correlations among carbonyl spins in 13C detected, protonless NMR experiments. The COCO-TOCSY experiment connects, in proteins, two carbonyls separated from each other by three, four or even five bonds. The quantitative analysis provides structural information on backbone dihedral angles ϕ as well as on the side chain dihedral angles of Asx and Glx residues. This is the first dihedral angle constraint that can be obtained via a protonless approach. About 75% of backbone carbonyls in Calbindin D 9K, a 75 aminoacid dicalcium protein, could be sequentially connected via a COCO-TOCSY spectrum. 49 3J values were measured and related to backbone ϕ angles. Structural information can be extended to the side chain orientation of aminoacids containing carbonyl groups. Additionally, long range homonuclear coupling constants, 4JCC and 5JCC, could be measured. This constitutes an unprecedented case for proteins of medium and small size.

  8. High resolution 1H NMR of a lipid cubic phase using a solution NMR probe

    NASA Astrophysics Data System (ADS)

    Boyle-Roden, E.; Hoefer, N.; Dey, K. K.; Grandinetti, P. J.; Caffrey, M.

    2007-11-01

    The cubic mesophase formed by monoacylglycerols and water is an important medium for the in meso crystallogenesis of membrane proteins. To investigate molecular level lipid and additive interactions within the cubic phase, a method was developed for improving the resolution of 1H NMR spectra when using a conventional solution state NMR probe. Using this approach we obtained well-resolved J-coupling multiplets in the one-dimensional NMR spectrum of the cubic-Ia3d phase prepared with hydrated monoolein. A high resolution t-ROESY two-dimensional 1H NMR spectrum of the cubic-Ia3d phase is also reported. Using this new methodology, we have investigated the interaction of two additive molecules, L-tryptophan and ruthenium-tris(2,2-bipyridyl) dichloride (rubipy), with the cubic mesophase. Based on the measured chemical shift differences when changing from an aqueous solution to the cubic phase, we conclude that L-tryptophan experiences specific interactions with the bilayer interface, whereas rubipy remains in the aqueous channels and does not associate with the lipid bilayer.

  9. An efficient and robust 3D mesh compression based on 3D watermarking and wavelet transform

    NASA Astrophysics Data System (ADS)

    Zagrouba, Ezzeddine; Ben Jabra, Saoussen; Didi, Yosra

    2011-06-01

    The compression and watermarking of 3D meshes are very important in many areas of activity including digital cinematography, virtual reality as well as CAD design. However, most studies on 3D watermarking and 3D compression are done independently. To verify a good trade-off between protection and a fast transfer of 3D meshes, this paper proposes a new approach which combines 3D mesh compression with mesh watermarking. This combination is based on a wavelet transformation. In fact, the used compression method is decomposed to two stages: geometric encoding and topologic encoding. The proposed approach consists to insert a signature between these two stages. First, the wavelet transformation is applied to the original mesh to obtain two components: wavelets coefficients and a coarse mesh. Then, the geometric encoding is done on these two components. The obtained coarse mesh will be marked using a robust mesh watermarking scheme. This insertion into coarse mesh allows obtaining high robustness to several attacks. Finally, the topologic encoding is applied to the marked coarse mesh to obtain the compressed mesh. The combination of compression and watermarking permits to detect the presence of signature after a compression of the marked mesh. In plus, it allows transferring protected 3D meshes with the minimum size. The experiments and evaluations show that the proposed approach presents efficient results in terms of compression gain, invisibility and robustness of the signature against of many attacks.

  10. Site-resolved 2H relaxation experiments in solid materials by global line-shape analysis of MAS NMR spectra

    NASA Astrophysics Data System (ADS)

    Lindh, E. L.; Stilbs, P.; Furó, I.

    2016-07-01

    We investigate a way one can achieve good spectral resolution in 2H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the 2H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two 2H spin populations with similar chemical shifts but different quadrupole splittings. In 2H-exchanged cellulose containing two 2H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics.

  11. Site-resolved (2)H relaxation experiments in solid materials by global line-shape analysis of MAS NMR spectra.

    PubMed

    Lindh, E L; Stilbs, P; Furó, I

    2016-07-01

    We investigate a way one can achieve good spectral resolution in (2)H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the (2)H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two (2)H spin populations with similar chemical shifts but different quadrupole splittings. In (2)H-exchanged cellulose containing two (2)H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics. PMID:27152833

  12. Numerical simulation of 3D breaking waves

    NASA Astrophysics Data System (ADS)

    Fraunie, Philippe; Golay, Frederic

    2015-04-01

    Numerical methods dealing with two phase flows basically can be classified in two ways : the "interface tracking" methods when the two phases are resolved separately including boundary conditions fixed at the interface and the "interface capturing" methods when a single flow is considered with variable density. Physical and numerical properties of the two approaches are discussed, based on some numerical experiments performed concerning 3D breaking waves. Acknowledgements : This research was supported by the Modtercom program of Region PACA.

  13. SNL3dFace

    2007-07-20

    This software distribution contains MATLAB and C++ code to enable identity verification using 3D images that may or may not contain a texture component. The code is organized to support system performance testing and system capability demonstration through the proper configuration of the available user interface. Using specific algorithm parameters the face recognition system has been demonstrated to achieve a 96.6% verification rate (Pd) at 0.001 false alarm rate. The system computes robust facial featuresmore » of a 3D normalized face using Principal Component Analysis (PCA) and Fisher Linear Discriminant Analysis (FLDA). A 3D normalized face is obtained by alighning each face, represented by a set of XYZ coordinated, to a scaled reference face using the Iterative Closest Point (ICP) algorithm. The scaled reference face is then deformed to the input face using an iterative framework with parameters that control the deformed surface regulation an rate of deformation. A variety of options are available to control the information that is encoded by the PCA. Such options include the XYZ coordinates, the difference of each XYZ coordinates from the reference, the Z coordinate, the intensity/texture values, etc. In addition to PCA/FLDA feature projection this software supports feature matching to obtain similarity matrices for performance analysis. In addition, this software supports visualization of the STL, MRD, 2D normalized, and PCA synthetic representations in a 3D environment.« less

  14. Making Inexpensive 3-D Models

    ERIC Educational Resources Information Center

    Manos, Harry

    2016-01-01

    Visual aids are important to student learning, and they help make the teacher's job easier. Keeping with the "TPT" theme of "The Art, Craft, and Science of Physics Teaching," the purpose of this article is to show how teachers, lacking equipment and funds, can construct a durable 3-D model reference frame and a model gravity…

  15. SNL3dFace

    SciTech Connect

    Russ, Trina; Koch, Mark; Koudelka, Melissa; Peters, Ralph; Little, Charles; Boehnen, Chris; Peters, Tanya

    2007-07-20

    This software distribution contains MATLAB and C++ code to enable identity verification using 3D images that may or may not contain a texture component. The code is organized to support system performance testing and system capability demonstration through the proper configuration of the available user interface. Using specific algorithm parameters the face recognition system has been demonstrated to achieve a 96.6% verification rate (Pd) at 0.001 false alarm rate. The system computes robust facial features of a 3D normalized face using Principal Component Analysis (PCA) and Fisher Linear Discriminant Analysis (FLDA). A 3D normalized face is obtained by alighning each face, represented by a set of XYZ coordinated, to a scaled reference face using the Iterative Closest Point (ICP) algorithm. The scaled reference face is then deformed to the input face using an iterative framework with parameters that control the deformed surface regulation an rate of deformation. A variety of options are available to control the information that is encoded by the PCA. Such options include the XYZ coordinates, the difference of each XYZ coordinates from the reference, the Z coordinate, the intensity/texture values, etc. In addition to PCA/FLDA feature projection this software supports feature matching to obtain similarity matrices for performance analysis. In addition, this software supports visualization of the STL, MRD, 2D normalized, and PCA synthetic representations in a 3D environment.

  16. 3D Printing: Exploring Capabilities

    ERIC Educational Resources Information Center

    Samuels, Kyle; Flowers, Jim

    2015-01-01

    As 3D printers become more affordable, schools are using them in increasing numbers. They fit well with the emphasis on product design in technology and engineering education, allowing students to create high-fidelity physical models to see and test different iterations in their product designs. They may also help students to "think in three…

  17. TACO3D. 3-D Finite Element Heat Transfer Code

    SciTech Connect

    Mason, W.E.

    1992-03-04

    TACO3D is a three-dimensional, finite-element program for heat transfer analysis. An extension of the two-dimensional TACO program, it can perform linear and nonlinear analyses and can be used to solve either transient or steady-state problems. The program accepts time-dependent or temperature-dependent material properties, and materials may be isotropic or orthotropic. A variety of time-dependent and temperature-dependent boundary conditions and loadings are available including temperature, flux, convection, and radiation boundary conditions and internal heat generation. Additional specialized features treat enclosure radiation, bulk nodes, and master/slave internal surface conditions (e.g., contact resistance). Data input via a free-field format is provided. A user subprogram feature allows for any type of functional representation of any independent variable. A profile (bandwidth) minimization option is available. The code is limited to implicit time integration for transient solutions. TACO3D has no general mesh generation capability. Rows of evenly-spaced nodes and rows of sequential elements may be generated, but the program relies on separate mesh generators for complex zoning. TACO3D does not have the ability to calculate view factors internally. Graphical representation of data in the form of time history and spatial plots is provided through links to the POSTACO and GRAPE postprocessor codes.

  18. Mobile glasses-free 3D using compact waveguide hologram

    NASA Astrophysics Data System (ADS)

    Pyun, K.; Choi, C.; Morozov, A.; Putilin, A.; Bovsunovskiy, I.; Kim, S.; Ahn, J.; Lee, H.-S.; Lee, S.

    2013-02-01

    The exploding mobile communication devices make 3D data available anywhere anytime. However, to record and reconstruct 3D, the huge number of optical components is often required, which makes overall device size bulky and image quality degraded due to the error-prone tuning. In addition, if additional glass is required, then user experience of 3D is exhausting and unpleasant. Holography is the ultimate 3D that users experience natural 3D in every direction. For mobile glasses-free 3D experience, it is critical to make holography device that can be as compact and integrated as possible. For reliable and economical mass production, integrated optics is needed as integrated circuits in semiconductor industry. Thus, we propose mobile glasses-free 3D using compact waveguide hologram in terms of overall device sizes, quantity of elements and combined functionality of each element. The main advantages of proposed solution are as follows: First, this solution utilizes various integral optical elements, where each of them is a united not adjustable optical element, replacing separate and adjustable optical elements with various forms and configurations. Second, geometrical form of integral elements provides small sizes of whole device. Third, geometrical form of integral elements allows creating flat device. And finally, absence of adjustable elements provide rigidly of whole device. The usage of integrated optical means based on waveguide holographic elements allows creating a new type of compact and high functional devices for mobile glasses-free 3D applications such as mobile medical 3D data visualization.

  19. Array servo scanning micro EDM of 3D micro cavities

    NASA Astrophysics Data System (ADS)

    Tong, Hao; Li, Yong; Yi, Futing

    2010-12-01

    Micro electro discharge machining (Micro EDM) is a non-traditional processing technology with the special advantages of low set-up cost and few cutting force in machining any conductive materials regardless of their hardness. As well known, die-sinking EDM is unsuitable for machining the complex 3D micro cavity less than 1mm due to the high-priced fabrication of 3D microelectrode itself and its serous wear during EDM process. In our former study, a servo scanning 3D micro-EDM (3D SSMEDM) method was put forward, and our experiments showed it was available to fabricate complex 3D micro-cavities. In this study, in order to improve machining efficiency and consistency accuracy for array 3D micro-cavities, an array-servo-scanning 3D micro EDM (3D ASSMEDM) method is presented considering the complementary advantages of the 3D SSMEDM and the array micro electrodes with simple cross-section. During 3D ASSMEDM process, the array cavities designed by CAD / CAM system can be batch-manufactured by servo scanning layer by layer using array-rod-like micro tool electrodes, and the axial wear of the array electrodes is compensated in real time by keeping discharge gap. To verify the effectiveness of the 3D ASSMEDM, the array-triangle-micro cavities (side length 630 μm) are batch-manufactured on P-doped silicon by applying the array-micro-electrodes with square-cross-section fabricated by LIGA process. Our exploratory experiment shows that the 3D ASSMEDM provides a feasible approach for the batch-manufacture of 3D array-micro-cavities of conductive materials.

  20. Array servo scanning micro EDM of 3D micro cavities

    NASA Astrophysics Data System (ADS)

    Tong, Hao; Li, Yong; Yi, Futing

    2011-05-01

    Micro electro discharge machining (Micro EDM) is a non-traditional processing technology with the special advantages of low set-up cost and few cutting force in machining any conductive materials regardless of their hardness. As well known, die-sinking EDM is unsuitable for machining the complex 3D micro cavity less than 1mm due to the high-priced fabrication of 3D microelectrode itself and its serous wear during EDM process. In our former study, a servo scanning 3D micro-EDM (3D SSMEDM) method was put forward, and our experiments showed it was available to fabricate complex 3D micro-cavities. In this study, in order to improve machining efficiency and consistency accuracy for array 3D micro-cavities, an array-servo-scanning 3D micro EDM (3D ASSMEDM) method is presented considering the complementary advantages of the 3D SSMEDM and the array micro electrodes with simple cross-section. During 3D ASSMEDM process, the array cavities designed by CAD / CAM system can be batch-manufactured by servo scanning layer by layer using array-rod-like micro tool electrodes, and the axial wear of the array electrodes is compensated in real time by keeping discharge gap. To verify the effectiveness of the 3D ASSMEDM, the array-triangle-micro cavities (side length 630 μm) are batch-manufactured on P-doped silicon by applying the array-micro-electrodes with square-cross-section fabricated by LIGA process. Our exploratory experiment shows that the 3D ASSMEDM provides a feasible approach for the batch-manufacture of 3D array-micro-cavities of conductive materials.

  1. Diels-Alder Cycloadditions: A MORE Experiment in the Organic Laboratory Including a Diene Identification Exercise Involving NMR Spectroscopy and Molecular Modeling

    ERIC Educational Resources Information Center

    Shaw, Roosevelt; Severin, Ashika; Balfour, Miguel; Nettles, Columbus

    2005-01-01

    Two Diels-Alder reactions are described that are suitable for a MORE (microwave-induced organic reaction enhanced) experiment in the organic chemistry laboratory course. A second experiment in which the splitting patterns of the vinyl protons in the nuclear magnetic resonance (NMR) spectra of two MORE adducts are used in conjunction with molecular…

  2. Determination of Solvent Effects on Keto-Enol Equilibria of 1,3-Dicarbonyl Compounds Using NMR: Revisiting a Classic Physical Chemistry Experiment

    ERIC Educational Resources Information Center

    Cook, A. Gilbert; Feltman, Paul M.

    2007-01-01

    The use of proton NMR to determine the equilibrium position of tautomeric 1,3-dicarbonyl compounds in various solvents has been a classic physical chemistry experiment. We are presenting an expansion of the excellent description of this experiment by Garland, Shoemaker, and Nibler. Often the assumption is made that the keto tautomer is always the…

  3. Optoplasmonics: hybridization in 3D

    NASA Astrophysics Data System (ADS)

    Rosa, L.; Gervinskas, G.; Žukauskas, A.; Malinauskas, M.; Brasselet, E.; Juodkazis, S.

    2013-12-01

    Femtosecond laser fabrication has been used to make hybrid refractive and di ractive micro-optical elements in photo-polymer SZ2080. For applications in micro- uidics, axicon lenses were fabricated (both single and arrays), for generation of light intensity patterns extending through the entire depth of a typically tens-of-micrometers deep channel. Further hybridisation of an axicon with a plasmonic slot is fabricated and demonstrated nu- merically. Spiralling chiral grooves were inscribed into a 100-nm-thick gold coating sputtered over polymerized micro-axicon lenses, using a focused ion beam. This demonstrates possibility of hybridisation between optical and plasmonic 3D micro-optical elements. Numerical modelling of optical performance by 3D-FDTD method is presented.

  4. 3-D Relativistic MHD Simulations

    NASA Astrophysics Data System (ADS)

    Nishikawa, K.-I.; Frank, J.; Koide, S.; Sakai, J.-I.; Christodoulou, D. M.; Sol, H.; Mutel, R. L.

    1998-12-01

    We present 3-D numerical simulations of moderately hot, supersonic jets propagating initially along or obliquely to the field lines of a denser magnetized background medium with Lorentz factors of W = 4.56 and evolving in a four-dimensional spacetime. The new results are understood as follows: Relativistic simulations have consistently shown that these jets are effectively heavy and so they do not suffer substantial momentum losses and are not decelerated as efficiently as their nonrelativistic counterparts. In addition, the ambient magnetic field, however strong, can be pushed aside with relative ease by the beam, provided that the degrees of freedom associated with all three spatial dimensions are followed self-consistently in the simulations. This effect is analogous to pushing Japanese ``noren'' or vertical Venetian blinds out of the way while the slats are allowed to bend in 3-D space rather than as a 2-D slab structure.

  5. Forensic 3D Scene Reconstruction

    SciTech Connect

    LITTLE,CHARLES Q.; PETERS,RALPH R.; RIGDON,J. BRIAN; SMALL,DANIEL E.

    1999-10-12

    Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a feasible prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

  6. Forensic 3D scene reconstruction

    NASA Astrophysics Data System (ADS)

    Little, Charles Q.; Small, Daniel E.; Peters, Ralph R.; Rigdon, J. B.

    2000-05-01

    Traditionally law enforcement agencies have relied on basic measurement and imaging tools, such as tape measures and cameras, in recording a crime scene. A disadvantage of these methods is that they are slow and cumbersome. The development of a portable system that can rapidly record a crime scene with current camera imaging, 3D geometric surface maps, and contribute quantitative measurements such as accurate relative positioning of crime scene objects, would be an asset to law enforcement agents in collecting and recording significant forensic data. The purpose of this project is to develop a fieldable prototype of a fast, accurate, 3D measurement and imaging system that would support law enforcement agents to quickly document and accurately record a crime scene.

  7. 360-degree 3D profilometry

    NASA Astrophysics Data System (ADS)

    Song, Yuanhe; Zhao, Hong; Chen, Wenyi; Tan, Yushan

    1997-12-01

    A new method of 360 degree turning 3D shape measurement in which light sectioning and phase shifting techniques are both used is presented in this paper. A sine light field is applied in the projected light stripe, meanwhile phase shifting technique is used to calculate phases of the light slit. Thereafter wrapped phase distribution of the slit is formed and the unwrapping process is made by means of the height information based on the light sectioning method. Therefore phase measuring results with better precision can be obtained. At last the target 3D shape data can be produced according to geometric relationships between phases and the object heights. The principles of this method are discussed in detail and experimental results are shown in this paper.

  8. 3D Printable Graphene Composite.

    PubMed

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-01-01

    In human being's history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today's personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite's linear thermal coefficient is below 75 ppm·°C(-1) from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process. PMID:26153673

  9. 3D Printed Robotic Hand

    NASA Technical Reports Server (NTRS)

    Pizarro, Yaritzmar Rosario; Schuler, Jason M.; Lippitt, Thomas C.

    2013-01-01

    Dexterous robotic hands are changing the way robots and humans interact and use common tools. Unfortunately, the complexity of the joints and actuations drive up the manufacturing cost. Some cutting edge and commercially available rapid prototyping machines now have the ability to print multiple materials and even combine these materials in the same job. A 3D model of a robotic hand was designed using Creo Parametric 2.0. Combining "hard" and "soft" materials, the model was printed on the Object Connex350 3D printer with the purpose of resembling as much as possible the human appearance and mobility of a real hand while needing no assembly. After printing the prototype, strings where installed as actuators to test mobility. Based on printing materials, the manufacturing cost of the hand was $167, significantly lower than other robotic hands without the actuators since they have more complex assembly processes.

  10. 3D light scanning macrography.

    PubMed

    Huber, D; Keller, M; Robert, D

    2001-08-01

    The technique of 3D light scanning macrography permits the non-invasive surface scanning of small specimens at magnifications up to 200x. Obviating both the problem of limited depth of field inherent to conventional close-up macrophotography and the metallic coating required by scanning electron microscopy, 3D light scanning macrography provides three-dimensional digital images of intact specimens without the loss of colour, texture and transparency information. This newly developed technique offers a versatile, portable and cost-efficient method for the non-invasive digital and photographic documentation of small objects. Computer controlled device operation and digital image acquisition facilitate fast and accurate quantitative morphometric investigations, and the technique offers a broad field of research and educational applications in biological, medical and materials sciences. PMID:11489078

  11. 3D-graphite structure

    SciTech Connect

    Belenkov, E. A. Ali-Pasha, V. A.

    2011-01-15

    The structure of clusters of some new carbon 3D-graphite phases have been calculated using the molecular-mechanics methods. It is established that 3D-graphite polytypes {alpha}{sub 1,1}, {alpha}{sub 1,3}, {alpha}{sub 1,5}, {alpha}{sub 2,1}, {alpha}{sub 2,3}, {alpha}{sub 3,1}, {beta}{sub 1,2}, {beta}{sub 1,4}, {beta}{sub 1,6}, {beta}{sub 2,1}, and {beta}{sub 3,2} consist of sp{sup 2}-hybridized atoms, have hexagonal unit cells, and differ in regards to the structure of layers and order of their alternation. A possible way to experimentally synthesize new carbon phases is proposed: the polymerization and carbonization of hydrocarbon molecules.

  12. Two dimensional NMR spectroscopy

    SciTech Connect

    Schram, J.; Bellama, J.M.

    1988-01-01

    Two dimensional NMR represents a significant achievement in the continuing effort to increase solution in NMR spectroscopy. This book explains the fundamentals of this new technique and its analytical applications. It presents the necessary information, in pictorial form, for reading the ''2D NMR,'' and enables the practicing chemist to solve problems and run experiments on a commercial spectrometer by using the software provided by the manufacturer.

  13. Ionic Pathways in Li13Si4 investigated by (6)Li and (7)Li solid state NMR experiments.

    PubMed

    Dupke, Sven; Langer, Thorsten; Winter, Florian; Pöttgen, Rainer; Winter, Martin; Eckert, Hellmut

    2015-02-01

    Local environments and dynamics of lithium ions in the binary lithium silicide Li13Si4 have been studied by (6)Li MAS-NMR, (7)Li spin-lattice relaxation time and site-resolved (7)Li 2D exchange NMR measurements as a function of mixing time. Variable temperature experiments result in distinct differences in activation energies characterizing the transfer rates between the different lithium sites. Based on this information, a comprehensive picture of the preferred ionic transfer pathways in this silicide has been developed. With respect to local mobility, the results of the present study suggests the ordering Li6/Li7>Li5>Li1>Li4 >Li2/Li3. Mobility within the z=0.5 plane is distinctly higher than within the z=0 plane, and the ionic transfer between the planes is most facile via Li1/Li5 exchange. The lithium ionic mobility can be rationalized on the basis of the type of the coordinating silicide anions and the lithium-lithium distances within the structure. Lithium ions strongly interacting with the isolated Si(4-) anions have distinctly lower mobility than those the coordination of which is dominated by Si2(6-) dumbbells. PMID:25524128

  14. 3D Printing in Zero-G ISS Technology Demonstration

    NASA Technical Reports Server (NTRS)

    Werkheiser, Niki; Cooper, Kenneth C.; Edmunson, Jennifer E.; Dunn, Jason; Snyder, Michael

    2013-01-01

    The National Aeronautics and Space Administration (NASA) has a long term strategy to fabricate components and equipment on-demand for manned missions to the Moon, Mars, and beyond. To support this strategy, NASA's Marshall Space Fligth Center (MSFC) and Made in Space, Inc. are developing the 3D Printing In Zero-G payload as a Technology Demonstration for the International Space Station (ISS). The 3D Printing In Zero-G experiment ('3D Print') will be the frst machine to perform 3D printing in space.

  15. [Real time 3D echocardiography].

    PubMed

    Bauer, F; Shiota, T; Thomas, J D

    2001-07-01

    Three-dimensional representation of the heart is an old concern. Usually, 3D reconstruction of the cardiac mass is made by successive acquisition of 2D sections, the spatial localisation and orientation of which require complex guiding systems. More recently, the concept of volumetric acquisition has been introduced. A matricial emitter-receiver probe complex with parallel data processing provides instantaneous of a pyramidal 64 degrees x 64 degrees volume. The image is restituted in real time and is composed of 3 planes (planes B and C) which can be displaced in all spatial directions at any time during acquisition. The flexibility of this system of acquisition allows volume and mass measurement with greater accuracy and reproducibility, limiting inter-observer variability. Free navigation of the planes of investigation allows reconstruction for qualitative and quantitative analysis of valvular heart disease and other pathologies. Although real time 3D echocardiography is ready for clinical usage, some improvements are still necessary to improve its conviviality. Then real time 3D echocardiography could be the essential tool for understanding, diagnosis and management of patients. PMID:11494630

  16. [Real time 3D echocardiography

    NASA Technical Reports Server (NTRS)

    Bauer, F.; Shiota, T.; Thomas, J. D.

    2001-01-01

    Three-dimensional representation of the heart is an old concern. Usually, 3D reconstruction of the cardiac mass is made by successive acquisition of 2D sections, the spatial localisation and orientation of which require complex guiding systems. More recently, the concept of volumetric acquisition has been introduced. A matricial emitter-receiver probe complex with parallel data processing provides instantaneous of a pyramidal 64 degrees x 64 degrees volume. The image is restituted in real time and is composed of 3 planes (planes B and C) which can be displaced in all spatial directions at any time during acquisition. The flexibility of this system of acquisition allows volume and mass measurement with greater accuracy and reproducibility, limiting inter-observer variability. Free navigation of the planes of investigation allows reconstruction for qualitative and quantitative analysis of valvular heart disease and other pathologies. Although real time 3D echocardiography is ready for clinical usage, some improvements are still necessary to improve its conviviality. Then real time 3D echocardiography could be the essential tool for understanding, diagnosis and management of patients.

  17. Analysis of one-dimensional pure-exchange NMR experiments for studying dynamics with broad distributions of correlation times.

    PubMed

    deAzevedo, E R; Tozoni, J R; Schmidt-Rohr, K; Bonagamba, T J

    2005-04-15

    One-dimensional (1D) exchange NMR experiments can elucidate the geometry, time scale, memory, and heterogeneity of slow molecular motions (1 ms-1 s) in solids. The one-dimensional version of pure-exchange (PUREX) solid-state exchange NMR, which is applied to static samples and uses the chemical shift anisotropy as a probe for molecular motion, is particularly promising and convenient in applications where site resolution is not a problem, i.e., in systems with few chemical sites. In this work, some important aspects of the 1D PUREX experiment applied to systems with complex molecular motions are analyzed. The influence of intermediate-regime (10 micros-1 ms) motions and of the distribution of reorientation angles on the pure-exchange intensity are discussed, together with a simple method for estimating the activation energy of motions occurring with a single correlation time. In addition, it is demonstrated that detailed information on the motional geometry can be obtained from 1D PUREX spectral line shapes. Experiments on a molecular crystal, dimethyl sulfone, confirm the analysis quantitatively. In two amorphous polymers, atactic polypropylene (aPP) and polyisobutylene (PIB), which differ only by one methyl group in the repeat unit, the height of the normalized exchange intensity clearly reveals a striking difference in the width of the distribution of correlation times slightly above the glass transition. The aPP shows the broad distribution and Williams-Landel-Ferry temperature dependence of correlation times typical of polymers and other "fragile" glass formers. In contrast, the dynamics in PIB occur essentially with a single correlation time and exhibits Arrhenius behavior, which is more typical of "strong" glass formers; this is somewhat surprising given the weak intermolecular forces in PIB. PMID:15945644

  18. 3D touchable holographic light-field display.

    PubMed

    Yamaguchi, Masahiro; Higashida, Ryo

    2016-01-20

    We propose a new type of 3D user interface: interaction with a light field reproduced by a 3D display. The 3D display used in this work reproduces a 3D light field, and a real image can be reproduced in midair between the display and the user. When using a finger to touch the real image, the light field from the display will scatter. Then, the 3D touch sensing is realized by detecting the scattered light by a color camera. In the experiment, the light-field display is constructed with a holographic screen and a projector; thus, a preliminary implementation of a 3D touch is demonstrated. PMID:26835952

  19. Flow over bio-inspired 3D herringbone wall riblets

    NASA Astrophysics Data System (ADS)

    Chen, Huawei; Rao, Fugang; Shang, Xiaopeng; Zhang, Deyuan; Hagiwara, Ichiro

    2014-03-01

    Under the inspiration of small riblets of shark skin, the microgroove drag reduction riblets whose direction set along fluid flow have been widely investigated. Herringbone-type riblets of bird flight feather are seldom exploited although bird also has excellent flight performance. Inspired from the flight feather, novel bio-inspired plane-3D (p-3D) and spatial-3D (s-3D) herringbone wall riblets are proposed. Through experiment measurement of drag reduction in water tunnel, maximum drag reduction of p-3D and s-3D herringbone riblets was about 17 and 20 %, higher than traditional microgroove riblets. Moreover, significant change of drag reduction was also found by change of the angle between herringbone riblets. In particular, maximum drag reduction occurred as angle between herringbone riblets was about 60° close to real flight feather, which indicates that microstructure of bird flight feather has great impact on flight performance.

  20. GPU-Accelerated Denoising in 3D (GD3D)

    2013-10-01

    The raw computational power GPU Accelerators enables fast denoising of 3D MR images using bilateral filtering, anisotropic diffusion, and non-local means. This software addresses two facets of this promising application: what tuning is necessary to achieve optimal performance on a modern GPU? And what parameters yield the best denoising results in practice? To answer the first question, the software performs an autotuning step to empirically determine optimal memory blocking on the GPU. To answer themore » second, it performs a sweep of algorithm parameters to determine the combination that best reduces the mean squared error relative to a noiseless reference image.« less

  1. Optical characterization and measurements of autostereoscopic 3D displays

    NASA Astrophysics Data System (ADS)

    Salmimaa, Marja; Järvenpää, Toni

    2008-04-01

    3D or autostereoscopic display technologies offer attractive solutions for enriching the multimedia experience. However, both characterization and comparison of 3D displays have been challenging when the definitions for the consistent measurement methods have been lacking and displays with similar specifications may appear quite different. Earlier we have investigated how the optical properties of autostereoscopic (3D) displays can be objectively measured and what are the main characteristics defining the perceived image quality. In this paper the discussion is extended to cover the viewing freedom (VF) and the definition for the optimum viewing distance (OVD) is elaborated. VF is the volume inside which the eyes have to be to see an acceptable 3D image. Characteristics limiting the VF space are proposed to be 3D crosstalk, luminance difference and color difference. Since the 3D crosstalk can be presumed to be dominating the quality of the end user experience and in our approach is forming the basis for the calculations of the other optical parameters, the reliability of the 3D crosstalk measurements is investigated. Furthermore the effect on the derived VF definition is evaluated. We have performed comparison 3D crosstalk measurements with different measurement device apertures and the effect of different measurement geometry on the results on actual 3D displays is reported.

  2. Magmatic Systems in 3-D

    NASA Astrophysics Data System (ADS)

    Kent, G. M.; Harding, A. J.; Babcock, J. M.; Orcutt, J. A.; Bazin, S.; Singh, S.; Detrick, R. S.; Canales, J. P.; Carbotte, S. M.; Diebold, J.

    2002-12-01

    Multichannel seismic (MCS) images of crustal magma chambers are ideal targets for advanced visualization techniques. In the mid-ocean ridge environment, reflections originating at the melt-lens are well separated from other reflection boundaries, such as the seafloor, layer 2A and Moho, which enables the effective use of transparency filters. 3-D visualization of seismic reflectivity falls into two broad categories: volume and surface rendering. Volumetric-based visualization is an extremely powerful approach for the rapid exploration of very dense 3-D datasets. These 3-D datasets are divided into volume elements or voxels, which are individually color coded depending on the assigned datum value; the user can define an opacity filter to reject plotting certain voxels. This transparency allows the user to peer into the data volume, enabling an easy identification of patterns or relationships that might have geologic merit. Multiple image volumes can be co-registered to look at correlations between two different data types (e.g., amplitude variation with offsets studies), in a manner analogous to draping attributes onto a surface. In contrast, surface visualization of seismic reflectivity usually involves producing "fence" diagrams of 2-D seismic profiles that are complemented with seafloor topography, along with point class data, draped lines and vectors (e.g. fault scarps, earthquake locations and plate-motions). The overlying seafloor can be made partially transparent or see-through, enabling 3-D correlations between seafloor structure and seismic reflectivity. Exploration of 3-D datasets requires additional thought when constructing and manipulating these complex objects. As numbers of visual objects grow in a particular scene, there is a tendency to mask overlapping objects; this clutter can be managed through the effective use of total or partial transparency (i.e., alpha-channel). In this way, the co-variation between different datasets can be investigated

  3. Solubilization of amphiphilic carboxylic acids in nonionic micelles: determination of partition coefficients from pKa measurements and NMR experiments.

    PubMed

    Dupont-Leclercq, Laurence; Giroux, Sébastien; Henry, Bernard; Rubini, Patrice

    2007-10-01

    The solubilization of octylamidotartaric acid (C8T) and octanoic acid (C8C) in Triton X-100 and Brij 58 nonionic micelles has been studied by pHmetric and 1H NMR self-diffusion experiments. As both C8C and C8T exhibit acid-base properties, a distinction between the partition of the neutral acidic form, in terms of the partition coefficient KPH, and the partition of the charged basic form, in terms of the partition coefficient KP-, has been made. The acidity constants, Ka, of C8T and C8C in the presence of micelles have been evaluated from pHmetric experiments. For both solutes, an increase in the pKa is observed in micellar media due to the difference in the partition of acidic and basic forms of the solutes. A model has been developed to determine KPH and KP- from the pKa shifts observed. The values obtained by this pKa shift modeling method and those from self-diffusion coefficient measurements are in good agreement. The acidic form of C8C is incorporated to a larger extent into the Brij 58 micelles than the acidic form of C8T, whereas the opposite trend is observed for the basic forms. Both the acidic and basic forms of C8T are more easily incorporated into Brij 58 micelles than into Triton X-100 micelles. The influence of the structure of the polar head on the solubilization properties is demonstrated. Moreover, evidence for the localization of the solutes in the micelles is obtained from the comparison of the partition coefficients and from 1H NMR data. PMID:17850105

  4. Moving NMR

    NASA Astrophysics Data System (ADS)

    Blümich, Bernhard; Casanova, Federico; Danieli, Ernesto; Gong, Qingxia; Greferath, Marcus; Haber, Agnes; Kolz, Jürgen; Perlo, Juan

    2008-12-01

    Initiated by the use of NMR for well logging, portable NMR instruments are being developed for a variety of novel applications in materials testing and process analysis and control. Open sensors enable non-destructive testing of large objects, and small, cup-size magnets become available for high throughput analysis by NMR relaxation and spectroscopy. Some recent developments of mobile NMR are reviewed which delineate the direction into which portable NMR is moving.

  5. Interactive 3D Mars Visualization

    NASA Technical Reports Server (NTRS)

    Powell, Mark W.

    2012-01-01

    The Interactive 3D Mars Visualization system provides high-performance, immersive visualization of satellite and surface vehicle imagery of Mars. The software can be used in mission operations to provide the most accurate position information for the Mars rovers to date. When integrated into the mission data pipeline, this system allows mission planners to view the location of the rover on Mars to 0.01-meter accuracy with respect to satellite imagery, with dynamic updates to incorporate the latest position information. Given this information so early in the planning process, rover drivers are able to plan more accurate drive activities for the rover than ever before, increasing the execution of science activities significantly. Scientifically, this 3D mapping information puts all of the science analyses to date into geologic context on a daily basis instead of weeks or months, as was the norm prior to this contribution. This allows the science planners to judge the efficacy of their previously executed science observations much more efficiently, and achieve greater science return as a result. The Interactive 3D Mars surface view is a Mars terrain browsing software interface that encompasses the entire region of exploration for a Mars surface exploration mission. The view is interactive, allowing the user to pan in any direction by clicking and dragging, or to zoom in or out by scrolling the mouse or touchpad. This set currently includes tools for selecting a point of interest, and a ruler tool for displaying the distance between and positions of two points of interest. The mapping information can be harvested and shared through ubiquitous online mapping tools like Google Mars, NASA WorldWind, and Worldwide Telescope.

  6. A Clean Adirondack (3-D)

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This is a 3-D anaglyph showing a microscopic image taken of an area measuring 3 centimeters (1.2 inches) across on the rock called Adirondack. The image was taken at Gusev Crater on the 33rd day of the Mars Exploration Rover Spirit's journey (Feb. 5, 2004), after the rover used its rock abrasion tool brush to clean the surface of the rock. Dust, which was pushed off to the side during cleaning, can still be seen to the left and in low areas of the rock.

  7. Making Inexpensive 3-D Models

    NASA Astrophysics Data System (ADS)

    Manos, Harry

    2016-03-01

    Visual aids are important to student learning, and they help make the teacher's job easier. Keeping with the TPT theme of "The Art, Craft, and Science of Physics Teaching," the purpose of this article is to show how teachers, lacking equipment and funds, can construct a durable 3-D model reference frame and a model gravity well tailored to specific class lessons. Most of the supplies are readily available in the home or at school: rubbing alcohol, a rag, two colors of spray paint, art brushes, and masking tape. The cost of these supplies, if you don't have them, is less than 20.

  8. What Lies Ahead (3-D)

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D cylindrical-perspective mosaic taken by the navigation camera on the Mars Exploration Rover Spirit on sol 82 shows the view south of the large crater dubbed 'Bonneville.' The rover will travel toward the Columbia Hills, seen here at the upper left. The rock dubbed 'Mazatzal' and the hole the rover drilled in to it can be seen at the lower left. The rover's position is referred to as 'Site 22, Position 32.' This image was geometrically corrected to make the horizon appear flat.

  9. Vacant Lander in 3-D

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This 3-D image captured by the Mars Exploration Rover Opportunity's rear hazard-identification camera shows the now-empty lander that carried the rover 283 million miles to Meridiani Planum, Mars. Engineers received confirmation that Opportunity's six wheels successfully rolled off the lander and onto martian soil at 3:01 a.m. PST, January 31, 2004, on the seventh martian day, or sol, of the mission. The rover is approximately 1 meter (3 feet) in front of the lander, facing north.

  10. 3D object retrieval using salient views.

    PubMed

    Atmosukarto, Indriyati; Shapiro, Linda G

    2013-06-01

    This paper presents a method for selecting salient 2D views to describe 3D objects for the purpose of retrieval. The views are obtained by first identifying salient points via a learning approach that uses shape characteristics of the 3D points (Atmosukarto and Shapiro in International workshop on structural, syntactic, and statistical pattern recognition, 2008; Atmosukarto and Shapiro in ACM multimedia information retrieval, 2008). The salient views are selected by choosing views with multiple salient points on the silhouette of the object. Silhouette-based similarity measures from Chen et al. (Comput Graph Forum 22(3):223-232, 2003) are then used to calculate the similarity between two 3D objects. Retrieval experiments were performed on three datasets: the Heads dataset, the SHREC2008 dataset, and the Princeton dataset. Experimental results show that the retrieval results using the salient views are comparable to the existing light field descriptor method (Chen et al. in Comput Graph Forum 22(3):223-232, 2003), and our method achieves a 15-fold speedup in the feature extraction computation time. PMID:23833704

  11. 3D object retrieval using salient views

    PubMed Central

    Shapiro, Linda G.

    2013-01-01

    This paper presents a method for selecting salient 2D views to describe 3D objects for the purpose of retrieval. The views are obtained by first identifying salient points via a learning approach that uses shape characteristics of the 3D points (Atmosukarto and Shapiro in International workshop on structural, syntactic, and statistical pattern recognition, 2008; Atmosukarto and Shapiro in ACM multimedia information retrieval, 2008). The salient views are selected by choosing views with multiple salient points on the silhouette of the object. Silhouette-based similarity measures from Chen et al. (Comput Graph Forum 22(3):223–232, 2003) are then used to calculate the similarity between two 3D objects. Retrieval experiments were performed on three datasets: the Heads dataset, the SHREC2008 dataset, and the Princeton dataset. Experimental results show that the retrieval results using the salient views are comparable to the existing light field descriptor method (Chen et al. in Comput Graph Forum 22(3):223–232, 2003), and our method achieves a 15-fold speedup in the feature extraction computation time. PMID:23833704

  12. Two Eyes, 3D: Stereoscopic Design Principles

    NASA Astrophysics Data System (ADS)

    Price, Aaron; Subbarao, M.; Wyatt, R.

    2013-01-01

    Two Eyes, 3D is a NSF-funded research project about how people perceive highly spatial objects when shown with 2D or stereoscopic ("3D") representations. As part of the project, we produced a short film about SN 2011fe. The high definition film has been rendered in both 2D and stereoscopic formats. It was developed according to a set of stereoscopic design principles we derived from the literature and past experience producing and studying stereoscopic films. Study participants take a pre- and post-test that involves a spatial cognition assessment and scientific knowledge questions about Type-1a supernovae. For the evaluation, participants use iPads in order to record spatial manipulation of the device and look for elements of embodied cognition. We will present early results and also describe the stereoscopic design principles and the rationale behind them. All of our content and software is available under open source licenses. More information is at www.twoeyes3d.org.

  13. A Qualitative-Quantitative H-NMR Experiment for the Instrumental Analysis Laboratory.

    ERIC Educational Resources Information Center

    Phillips, John S.; Leary, James J.

    1986-01-01

    Describes an experiment combining qualitative and quantitative information from hydrogen nuclear magnetic resonance spectra. Reviews theory, discusses the experimental approach, and provides sample results. (JM)

  14. Interactive 3d Landscapes on Line

    NASA Astrophysics Data System (ADS)

    Fanini, B.; Calori, L.; Ferdani, D.; Pescarin, S.

    2011-09-01

    The paper describes challenges identified while developing browser embedded 3D landscape rendering applications, our current approach and work-flow and how recent development in browser technologies could affect. All the data, even if processed by optimization and decimation tools, result in very huge databases that require paging, streaming and Level-of-Detail techniques to be implemented to allow remote web based real time fruition. Our approach has been to select an open source scene-graph based visual simulation library with sufficient performance and flexibility and adapt it to the web by providing a browser plug-in. Within the current Montegrotto VR Project, content produced with new pipelines has been integrated. The whole Montegrotto Town has been generated procedurally by CityEngine. We used this procedural approach, based on algorithms and procedures because it is particularly functional to create extensive and credible urban reconstructions. To create the archaeological sites we used optimized mesh acquired with laser scanning and photogrammetry techniques whereas to realize the 3D reconstructions of the main historical buildings we adopted computer-graphic software like blender and 3ds Max. At the final stage, semi-automatic tools have been developed and used up to prepare and clusterise 3D models and scene graph routes for web publishing. Vegetation generators have also been used with the goal of populating the virtual scene to enhance the user perceived realism during the navigation experience. After the description of 3D modelling and optimization techniques, the paper will focus and discuss its results and expectations.

  15. Inferential modeling of 3D chromatin structure

    PubMed Central

    Wang, Siyu; Xu, Jinbo; Zeng, Jianyang

    2015-01-01

    For eukaryotic cells, the biological processes involving regulatory DNA elements play an important role in cell cycle. Understanding 3D spatial arrangements of chromosomes and revealing long-range chromatin interactions are critical to decipher these biological processes. In recent years, chromosome conformation capture (3C) related techniques have been developed to measure the interaction frequencies between long-range genome loci, which have provided a great opportunity to decode the 3D organization of the genome. In this paper, we develop a new Bayesian framework to derive the 3D architecture of a chromosome from 3C-based data. By modeling each chromosome as a polymer chain, we define the conformational energy based on our current knowledge on polymer physics and use it as prior information in the Bayesian framework. We also propose an expectation-maximization (EM) based algorithm to estimate the unknown parameters of the Bayesian model and infer an ensemble of chromatin structures based on interaction frequency data. We have validated our Bayesian inference approach through cross-validation and verified the computed chromatin conformations using the geometric constraints derived from fluorescence in situ hybridization (FISH) experiments. We have further confirmed the inferred chromatin structures using the known genetic interactions derived from other studies in the literature. Our test results have indicated that our Bayesian framework can compute an accurate ensemble of 3D chromatin conformations that best interpret the distance constraints derived from 3C-based data and also agree with other sources of geometric constraints derived from experimental evidence in the previous studies. The source code of our approach can be found in https://github.com/wangsy11/InfMod3DGen. PMID:25690896

  16. Positional Awareness Map 3D (PAM3D)

    NASA Technical Reports Server (NTRS)

    Hoffman, Monica; Allen, Earl L.; Yount, John W.; Norcross, April Louise

    2012-01-01

    The Western Aeronautical Test Range of the National Aeronautics and Space Administration s Dryden Flight Research Center needed to address the aging software and hardware of its current situational awareness display application, the Global Real-Time Interactive Map (GRIM). GRIM was initially developed in the late 1980s and executes on older PC architectures using a Linux operating system that is no longer supported. Additionally, the software is difficult to maintain due to its complexity and loss of developer knowledge. It was decided that a replacement application must be developed or acquired in the near future. The replacement must provide the functionality of the original system, the ability to monitor test flight vehicles in real-time, and add improvements such as high resolution imagery and true 3-dimensional capability. This paper will discuss the process of determining the best approach to replace GRIM, and the functionality and capabilities of the first release of the Positional Awareness Map 3D.

  17. Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.

    PubMed

    Yang, Mingjun; Angles d'Ortoli, Thibault; Säwén, Elin; Jana, Madhurima; Widmalm, Göran; MacKerell, Alexander D

    2016-07-28

    The conformation of saccharides in solution is challenging to characterize in the context of a single well-defined three-dimensional structure. Instead, they are better represented by an ensemble of conformations associated with their structural diversity and flexibility. In this study, we delineate the conformational heterogeneity of five trisaccharides via a combination of experimental and computational techniques. Experimental NMR measurements target conformationally sensitive parameters, including J couplings and effective distances around the glycosidic linkages, while the computational simulations apply the well-calibrated additive CHARMM carbohydrate force field in combination with efficient enhanced sampling molecular dynamics simulation methods. Analysis of conformational heterogeneity is performed based on sampling of discreet states as defined by dihedral angles, on root-mean-square differences of Cartesian coordinates and on the extent of volume sampled. Conformational clustering, based on the glycosidic linkage dihedral angles, shows that accounting for the full range of sampled conformations is required to reproduce the experimental data, emphasizing the utility of the molecular simulations in obtaining an atomic detailed description of the conformational properties of the saccharides. Results show the presence of differential conformational preferences as a function of primary sequence and glycosidic linkage types. Significant differences in conformational ensembles associated with the anomeric configuration of a single glycosidic linkage reinforce the impact of such changes on the conformational properties of carbohydrates. The present structural insights of the studied trisaccharides represent a foundation for understanding the range of conformations adopted in larger oligosaccharides and how these molecules encode their conformational heterogeneity into the monosaccharide sequence. PMID:27346493

  18. 3D Printable Graphene Composite

    NASA Astrophysics Data System (ADS)

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-07-01

    In human being’s history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today’s personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite’s linear thermal coefficient is below 75 ppm·°C-1 from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process.

  19. 3D acoustic atmospheric tomography

    NASA Astrophysics Data System (ADS)

    Rogers, Kevin; Finn, Anthony

    2014-10-01

    This paper presents a method for tomographically reconstructing spatially varying 3D atmospheric temperature profiles and wind velocity fields based. Measurements of the acoustic signature measured onboard a small Unmanned Aerial Vehicle (UAV) are compared to ground-based observations of the same signals. The frequency-shifted signal variations are then used to estimate the acoustic propagation delay between the UAV and the ground microphones, which are also affected by atmospheric temperature and wind speed vectors along each sound ray path. The wind and temperature profiles are modelled as the weighted sum of Radial Basis Functions (RBFs), which also allow local meteorological measurements made at the UAV and ground receivers to supplement any acoustic observations. Tomography is used to provide a full 3D reconstruction/visualisation of the observed atmosphere. The technique offers observational mobility under direct user control and the capacity to monitor hazardous atmospheric environments, otherwise not justifiable on the basis of cost or risk. This paper summarises the tomographic technique and reports on the results of simulations and initial field trials. The technique has practical applications for atmospheric research, sound propagation studies, boundary layer meteorology, air pollution measurements, analysis of wind shear, and wind farm surveys.

  20. 3D Printed Bionic Ears

    PubMed Central

    Mannoor, Manu S.; Jiang, Ziwen; James, Teena; Kong, Yong Lin; Malatesta, Karen A.; Soboyejo, Winston O.; Verma, Naveen; Gracias, David H.; McAlpine, Michael C.

    2013-01-01

    The ability to three-dimensionally interweave biological tissue with functional electronics could enable the creation of bionic organs possessing enhanced functionalities over their human counterparts. Conventional electronic devices are inherently two-dimensional, preventing seamless multidimensional integration with synthetic biology, as the processes and materials are very different. Here, we present a novel strategy for overcoming these difficulties via additive manufacturing of biological cells with structural and nanoparticle derived electronic elements. As a proof of concept, we generated a bionic ear via 3D printing of a cell-seeded hydrogel matrix in the precise anatomic geometry of a human ear, along with an intertwined conducting polymer consisting of infused silver nanoparticles. This allowed for in vitro culturing of cartilage tissue around an inductive coil antenna in the ear, which subsequently enables readout of inductively-coupled signals from cochlea-shaped electrodes. The printed ear exhibits enhanced auditory sensing for radio frequency reception, and complementary left and right ears can listen to stereo audio music. Overall, our approach suggests a means to intricately merge biologic and nanoelectronic functionalities via 3D printing. PMID:23635097

  1. 3-D Relativistic MHD Simulations

    NASA Astrophysics Data System (ADS)

    Nishikaw, K.-I.; Frank, J.; Christodoulou, D. M.; Koide, S.; Sakai, J.-I.; Sol, H.; Mutel, R. L.

    1998-12-01

    We present 3-D numerical simulations of moderately hot, supersonic jets propagating initially along or obliquely to the field lines of a denser magnetized background medium with Lorentz factors of W=4.56 and evolving in a four-dimensional spacetime. The new results are understood as follows: Relativistic simulations have consistently shown that these jets are effectively heavy and so they do not suffer substantial momentum losses and are not decelerated as efficiently as their nonrelativistic counterparts. In addition, the ambient magnetic field, however strong, can be pushed aside with relative ease by the beam, provided that the degrees of freedom associated with all three spatial dimensions are followed self-consistently in the simulations. This effect is analogous to pushing Japanese ``noren'' or vertical Venetian blinds out of the way while the slats are allowed to bend in 3-D space rather than as a 2-D slab structure. We also simulate jets with the more realistic initial conditions for injecting jets for helical mangetic field, perturbed density, velocity, and internal energy, which are supposed to be caused in the process of jet generation. Three possible explanations for the observed variability are (i) tidal disruption of a star falling into the black hole, (ii) instabilities in the relativistic accretion disk, and (iii) jet-related PRocesses. New results will be reported at the meeting.

  2. 3D printed bionic ears.

    PubMed

    Mannoor, Manu S; Jiang, Ziwen; James, Teena; Kong, Yong Lin; Malatesta, Karen A; Soboyejo, Winston O; Verma, Naveen; Gracias, David H; McAlpine, Michael C

    2013-06-12

    The ability to three-dimensionally interweave biological tissue with functional electronics could enable the creation of bionic organs possessing enhanced functionalities over their human counterparts. Conventional electronic devices are inherently two-dimensional, preventing seamless multidimensional integration with synthetic biology, as the processes and materials are very different. Here, we present a novel strategy for overcoming these difficulties via additive manufacturing of biological cells with structural and nanoparticle derived electronic elements. As a proof of concept, we generated a bionic ear via 3D printing of a cell-seeded hydrogel matrix in the anatomic geometry of a human ear, along with an intertwined conducting polymer consisting of infused silver nanoparticles. This allowed for in vitro culturing of cartilage tissue around an inductive coil antenna in the ear, which subsequently enables readout of inductively-coupled signals from cochlea-shaped electrodes. The printed ear exhibits enhanced auditory sensing for radio frequency reception, and complementary left and right ears can listen to stereo audio music. Overall, our approach suggests a means to intricately merge biologic and nanoelectronic functionalities via 3D printing. PMID:23635097

  3. 3D Printable Graphene Composite

    PubMed Central

    Wei, Xiaojun; Li, Dong; Jiang, Wei; Gu, Zheming; Wang, Xiaojuan; Zhang, Zengxing; Sun, Zhengzong

    2015-01-01

    In human being’s history, both the Iron Age and Silicon Age thrived after a matured massive processing technology was developed. Graphene is the most recent superior material which could potentially initialize another new material Age. However, while being exploited to its full extent, conventional processing methods fail to provide a link to today’s personalization tide. New technology should be ushered in. Three-dimensional (3D) printing fills the missing linkage between graphene materials and the digital mainstream. Their alliance could generate additional stream to push the graphene revolution into a new phase. Here we demonstrate for the first time, a graphene composite, with a graphene loading up to 5.6 wt%, can be 3D printable into computer-designed models. The composite’s linear thermal coefficient is below 75 ppm·°C−1 from room temperature to its glass transition temperature (Tg), which is crucial to build minute thermal stress during the printing process. PMID:26153673

  4. 3D medical thermography device

    NASA Astrophysics Data System (ADS)

    Moghadam, Peyman

    2015-05-01

    In this paper, a novel handheld 3D medical thermography system is introduced. The proposed system consists of a thermal-infrared camera, a color camera and a depth camera rigidly attached in close proximity and mounted on an ergonomic handle. As a practitioner holding the device smoothly moves it around the human body parts, the proposed system generates and builds up a precise 3D thermogram model by incorporating information from each new measurement in real-time. The data is acquired in motion, thus it provides multiple points of view. When processed, these multiple points of view are adaptively combined by taking into account the reliability of each individual measurement which can vary due to a variety of factors such as angle of incidence, distance between the device and the subject and environmental sensor data or other factors influencing a confidence of the thermal-infrared data when captured. Finally, several case studies are presented to support the usability and performance of the proposed system.

  5. 3D Equilibrium Reconstructions in DIII-D

    NASA Astrophysics Data System (ADS)

    Lao, L. L.; Ferraro, N. W.; Strait, E. J.; Turnbull, A. D.; King, J. D.; Hirshman, H. P.; Lazarus, E. A.; Sontag, A. C.; Hanson, J.; Trevisan, G.

    2013-10-01

    Accurate and efficient 3D equilibrium reconstruction is needed in tokamaks for study of 3D magnetic field effects on experimentally reconstructed equilibrium and for analysis of MHD stability experiments with externally imposed magnetic perturbations. A large number of new magnetic probes have been recently installed in DIII-D to improve 3D equilibrium measurements and to facilitate 3D reconstructions. The V3FIT code has been in use in DIII-D to support 3D reconstruction and the new magnetic diagnostic design. V3FIT is based on the 3D equilibrium code VMEC that assumes nested magnetic surfaces. V3FIT uses a pseudo-Newton least-square algorithm to search for the solution vector. In parallel, the EFIT equilibrium reconstruction code is being extended to allow for 3D effects using a perturbation approach based on an expansion of the MHD equations. EFIT uses the cylindrical coordinate system and can include the magnetic island and stochastic effects. Algorithms are being developed to allow EFIT to reconstruct 3D perturbed equilibria directly making use of plasma response to 3D perturbations from the GATO, MARS-F, or M3D-C1 MHD codes. DIII-D 3D reconstruction examples using EFIT and V3FIT and the new 3D magnetic data will be presented. Work supported in part by US DOE under DE-FC02-04ER54698, DE-FG02-95ER54309 and DE-AC05-06OR23100.

  6. LOTT RANCH 3D PROJECT

    SciTech Connect

    Larry Lawrence; Bruce Miller

    2004-09-01

    The Lott Ranch 3D seismic prospect located in Garza County, Texas is a project initiated in September of 1991 by the J.M. Huber Corp., a petroleum exploration and production company. By today's standards the 126 square mile project does not seem monumental, however at the time it was conceived it was the most intensive land 3D project ever attempted. Acquisition began in September of 1991 utilizing GEO-SEISMIC, INC., a seismic data contractor. The field parameters were selected by J.M. Huber, and were of a radical design. The recording instruments used were GeoCor IV amplifiers designed by Geosystems Inc., which record the data in signed bit format. It would not have been practical, if not impossible, to have processed the entire raw volume with the tools available at that time. The end result was a dataset that was thought to have little utility due to difficulties in processing the field data. In 1997, Yates Energy Corp. located in Roswell, New Mexico, formed a partnership to further develop the project. Through discussions and meetings with Pinnacle Seismic, it was determined that the original Lott Ranch 3D volume could be vastly improved upon reprocessing. Pinnacle Seismic had shown the viability of improving field-summed signed bit data on smaller 2D and 3D projects. Yates contracted Pinnacle Seismic Ltd. to perform the reprocessing. This project was initiated with high resolution being a priority. Much of the potential resolution was lost through the initial summing of the field data. Modern computers that are now being utilized have tremendous speed and storage capacities that were cost prohibitive when this data was initially processed. Software updates and capabilities offer a variety of quality control and statics resolution, which are pertinent to the Lott Ranch project. The reprocessing effort was very successful. The resulting processed data-set was then interpreted using modern PC-based interpretation and mapping software. Production data, log data

  7. 3D-Printing for Analytical Ultracentrifugation.

    PubMed

    Desai, Abhiksha; Krynitsky, Jonathan; Pohida, Thomas J; Zhao, Huaying; Schuck, Peter

    2016-01-01

    Analytical ultracentrifugation (AUC) is a classical technique of physical biochemistry providing information on size, shape, and interactions of macromolecules from the analysis of their migration in centrifugal fields while free in solution. A key mechanical element in AUC is the centerpiece, a component of the sample cell assembly that is mounted between the optical windows to allow imaging and to seal the sample solution column against high vacuum while exposed to gravitational forces in excess of 300,000 g. For sedimentation velocity it needs to be precisely sector-shaped to allow unimpeded radial macromolecular migration. During the history of AUC a great variety of centerpiece designs have been developed for different types of experiments. Here, we report that centerpieces can now be readily fabricated by 3D printing at low cost, from a variety of materials, and with customized designs. The new centerpieces can exhibit sufficient mechanical stability to withstand the gravitational forces at the highest rotor speeds and be sufficiently precise for sedimentation equilibrium and sedimentation velocity experiments. Sedimentation velocity experiments with bovine serum albumin as a reference molecule in 3D printed centerpieces with standard double-sector design result in sedimentation boundaries virtually indistinguishable from those in commercial double-sector epoxy centerpieces, with sedimentation coefficients well within the range of published values. The statistical error of the measurement is slightly above that obtained with commercial epoxy, but still below 1%. Facilitated by modern open-source design and fabrication paradigms, we believe 3D printed centerpieces and AUC accessories can spawn a variety of improvements in AUC experimental design, efficiency and resource allocation. PMID:27525659

  8. 3D-Printing for Analytical Ultracentrifugation

    PubMed Central

    Desai, Abhiksha; Krynitsky, Jonathan; Pohida, Thomas J.; Zhao, Huaying

    2016-01-01

    Analytical ultracentrifugation (AUC) is a classical technique of physical biochemistry providing information on size, shape, and interactions of macromolecules from the analysis of their migration in centrifugal fields while free in solution. A key mechanical element in AUC is the centerpiece, a component of the sample cell assembly that is mounted between the optical windows to allow imaging and to seal the sample solution column against high vacuum while exposed to gravitational forces in excess of 300,000 g. For sedimentation velocity it needs to be precisely sector-shaped to allow unimpeded radial macromolecular migration. During the history of AUC a great variety of centerpiece designs have been developed for different types of experiments. Here, we report that centerpieces can now be readily fabricated by 3D printing at low cost, from a variety of materials, and with customized designs. The new centerpieces can exhibit sufficient mechanical stability to withstand the gravitational forces at the highest rotor speeds and be sufficiently precise for sedimentation equilibrium and sedimentation velocity experiments. Sedimentation velocity experiments with bovine serum albumin as a reference molecule in 3D printed centerpieces with standard double-sector design result in sedimentation boundaries virtually indistinguishable from those in commercial double-sector epoxy centerpieces, with sedimentation coefficients well within the range of published values. The statistical error of the measurement is slightly above that obtained with commercial epoxy, but still below 1%. Facilitated by modern open-source design and fabrication paradigms, we believe 3D printed centerpieces and AUC accessories can spawn a variety of improvements in AUC experimental design, efficiency and resource allocation. PMID:27525659

  9. Personal perceptual and cognitive property for 3D recognition

    NASA Astrophysics Data System (ADS)

    Matozaki, Takeshi; Tanisita, Akihiko

    1996-04-01

    3D closed circuit TV which produces stereoscopic vision by observing different images through each eye alternately, has been proposed. But, there are several problems, both physiological and psychological, for 3D image observation in many fields. From this prospective, we are learning personal visual characteristics for 3D recognition in the transition from 2D to 3D. We have separated the mechanism of 3D recognition into several categories, and formed some hypothesis about the personal features. These hypotheses are related to an observer's personal features, as follows: (1) consideration of the angle between the left and the right eye's line of vision and the adjustment of focus, (2) consideration of the angle of vision and the time required for fusion, (3) consideration of depth sense based on life experience, (4) consideration of 3D experience, and (5) consideration of 3D sense based on the observer's age. To establish these hypotheses, and we have analyzed the personal features of the time interval required for 3D recognition through some examinations to examinees. Examinees indicate their response for 3D recognition by pushing a button. Recently, we introduced a method for picking up the reaction of 3D recognition from examinees through their biological information, for example, analysis of pulse waves of the finger. We also bring a hypothesis, as a result of the analysis of pulse waves. (1) We can observe chaotic response when the examinee is recognizing a 2D image. (2) We can observe periodic response when the examinee is recognizing a 3D image. We are making nonlinear forecasts by getting correlation between the forecast and the biological phenomena. Deterministic nonlinear prediction are applied to the data, as a promising method of chaotic time series analysis in order to analyze the long term unpredictability, one of the fundamental characteristics of deterministic chaos.

  10. Membrane binding of an acyl-lactoferricin B antimicrobial peptide from solid-state NMR experiments and molecular dynamics simulations

    PubMed Central

    Romo, Tod D.; Bradney, Laura A.; Greathouse, Denise V.; Grossfield, Alan

    2011-01-01

    One approach to the growing health problem of antibiotic resistant bacteria is the development of antimicrobial peptides (AMPs) as alternative treatments. The mechanism by which these AMPs selectively attack the bacterial membrane is not well understood, but is believed to depend on differences in membrane lipid composition. N-acylation of the small amidated hexapeptide, RRWQWR-NH2 (LfB6) derived from the 25 amino acid bovine lactoferricin (LfB25) can be an effective means to improve its antimicrobial properties. Here, we investigate the interactions of C6-LfB6, N-acylated with a 6 carbon fatty acid, with model lipid bilayers with two distinct compositions: 3:1 POPE:POPG (negatively charged) and POPC (zwitterionic). Results from solid-state 2H and 31P NMR experiments are compared with those from an ensemble of all-atom molecular dynamics simulations running in aggregate more than 8.6 microseconds. 2H NMR spectra reveal no change in the lipid acyl chain order when C6-LfB6 is bound to the negatively charged membrane and only a slight decrease in order when it is bound to the zwitterionic membrane. 31P NMR spectra show no significant perturbation of the phosphate headgroups of either lipid system in the presence of C6-LfB6. Molecular dynamics simulations show that for the negatively charged membrane, the peptide’s arginines drive the initial association with the membrane, followed by attachment of the tryptophans at the membrane-water interface, and finally by the insertion of the C6 tails deep into the bilayer. In contrast, the C6 tail leads the association with the zwitterionic membrane, with the tryptophans and arginines associating with the membrane-water interface in roughly the same amount of time. We find similar patterns in the order parameters from our simulations. Moreover, we find in the simulations that the C6 tail can insert 1–2 Å more deeply into the zwitterionic membrane and can exist in a wider range of angles than in the negatively charged

  11. An Effective 3D Ear Acquisition System

    PubMed Central

    Liu, Yahui; Lu, Guangming; Zhang, David

    2015-01-01

    The human ear is a new feature in biometrics that has several merits over the more common face, fingerprint and iris biometrics. It can be easily captured from a distance without a fully cooperative subject. Also, the ear has a relatively stable structure that does not change much with the age and facial expressions. In this paper, we present a novel method of 3D ear acquisition system by using triangulation imaging principle, and the experiment results show that this design is efficient and can be used for ear recognition. PMID:26061553

  12. An Effective 3D Ear Acquisition System.

    PubMed

    Liu, Yahui; Lu, Guangming; Zhang, David

    2015-01-01

    The human ear is a new feature in biometrics that has several merits over the more common face, fingerprint and iris biometrics. It can be easily captured from a distance without a fully cooperative subject. Also, the ear has a relatively stable structure that does not change much with the age and facial expressions. In this paper, we present a novel method of 3D ear acquisition system by using triangulation imaging principle, and the experiment results show that this design is efficient and can be used for ear recognition. PMID:26061553

  13. MAGNUS-3D: Accelerator magnet calculations in 3-dimensions

    NASA Astrophysics Data System (ADS)

    Pissanetzky, S.

    1988-12-01

    MAGNUS-3D is a professional finite element code for nonlinear magnetic engineering. MAGNUS-3D can solve numerically any general problem of linear or nonlinear magnetostatics in three dimensions. The problem is formulated in a domain with Dirichlet, Neumann or periodic boundary conditions, that can contain any combination of conductors of any shape in space, nonlinear magnetic materials with magnetic properties specified by magnetization tables, and nonlinear permanent magnets with any given demagnetization curve. MAGNUS-3D uses the two-scalar-potentials formulation of Magnetostatics and the finite element method, has an automatic 3D mesh generator, and advanced post-processing features that include graphics on a variety of supported devices, tabulation, and calculation of design quantities required in Magnetic Engineering. MAGNUS-3D is a general purpose 3D code, but it has been extensively used for accelerator work and many special features required for accelerator engineering have been incorporated into the code. One of such features is the calculation of field harmonic coefficients averaged in the direction of the beam, so important for the design of magnet ends. Another feature is its ability to calculate line integrals of any field component along the direction of the beam, or plot the field as a function of the z coordinate. MAGNUS-3D has found applications to the design of accelerator magnets and spectrometers, steering magnets, wigglers and undulators for free electron lasers, microtrons and magnets for synchrotron light sources, as well as magnets for NMR and medical applications, recording heads and various magnetic devices. There are three more programs closely associated with MAGNUS-3D. MAGNUS-GKS is the graphical postprocessor for the package; it supports a numer of output devices, including color vector or bit map devices. WIRE is an independent program that can calculate the field produced by any configuration of electric conductors in space, at any

  14. 3D Printing of Graphene Aerogels.

    PubMed

    Zhang, Qiangqiang; Zhang, Feng; Medarametla, Sai Pradeep; Li, Hui; Zhou, Chi; Lin, Dong

    2016-04-01

    3D printing of a graphene aerogel with true 3D overhang structures is highlighted. The aerogel is fabricated by combining drop-on-demand 3D printing and freeze casting. The water-based GO ink is ejected and freeze-cast into designed 3D structures. The lightweight (<10 mg cm(-3) ) 3D printed graphene aerogel presents superelastic and high electrical conduction. PMID:26861680

  15. What Is the True Color of Fresh Meat? A Biophysical Undergraduate Laboratory Experiment Investigating the Effects of Ligand Binding on Myoglobin Using Optical, EPR, and NMR Spectroscopy

    ERIC Educational Resources Information Center

    Linenberger, Kimberly; Bretz, Stacey Lowery; Crowder, Michael W.; McCarrick, Robert; Lorigan, Gary A.; Tierney, David L.

    2011-01-01

    With an increased focus on integrated upper-level laboratories, we present an experiment integrating concepts from inorganic, biological, and physical chemistry content areas. Students investigate the effects of ligand strength on the spectroscopic properties of the heme center in myoglobin using UV-vis, [superscript 1]H NMR, and EPR…

  16. Enzymatic Resolution of 1-Phenylethanol and Formation of a Diastereomer: An Undergraduate [superscript 1]H NMR Experiment to Introduce Chiral Chemistry

    ERIC Educational Resources Information Center

    Faraldos, Juan A.; Giner, Jos-Luis; Smith, David H.; Wilson, Mark; Ronhovde, Kyla; Wilson, Erin; Clevette, David; Holmes, Andrea E.; Rouhier, Kerry

    2011-01-01

    This organic laboratory experiment introduces students to stereoselective enzyme reactions, resolution of enantiomers, and NMR analysis of diastereomers. The reaction between racemic 1-phenylethanol and vinyl acetate in hexane to form an ester is catalyzed by acylase I. The unreacted alcohol is then treated with a chiral acid and the resulting…

  17. ShowMe3D

    2012-01-05

    ShowMe3D is a data visualization graphical user interface specifically designed for use with hyperspectral image obtained from the Hyperspectral Confocal Microscope. The program allows the user to select and display any single image from a three dimensional hyperspectral image stack. By moving a slider control, the user can easily move between images of the stack. The user can zoom into any region of the image. The user can select any pixel or region from themore » displayed image and display the fluorescence spectrum associated with that pixel or region. The user can define up to 3 spectral filters to apply to the hyperspectral image and view the image as it would appear from a filter-based confocal microscope. The user can also obtain statistics such as intensity average and variance from selected regions.« less

  18. ShowMe3D

    SciTech Connect

    Sinclair, Michael B

    2012-01-05

    ShowMe3D is a data visualization graphical user interface specifically designed for use with hyperspectral image obtained from the Hyperspectral Confocal Microscope. The program allows the user to select and display any single image from a three dimensional hyperspectral image stack. By moving a slider control, the user can easily move between images of the stack. The user can zoom into any region of the image. The user can select any pixel or region from the displayed image and display the fluorescence spectrum associated with that pixel or region. The user can define up to 3 spectral filters to apply to the hyperspectral image and view the image as it would appear from a filter-based confocal microscope. The user can also obtain statistics such as intensity average and variance from selected regions.

  19. 3D Elastic Wavefield Tomography

    NASA Astrophysics Data System (ADS)

    Guasch, L.; Warner, M.; Stekl, I.; Umpleby, A.; Shah, N.

    2010-12-01

    Wavefield tomography, or waveform inversion, aims to extract the maximum information from seismic data by matching trace by trace the response of the solid earth to seismic waves using numerical modelling tools. Its first formulation dates from the early 80's, when Albert Tarantola developed a solid theoretical basis that is still used today with little change. Due to computational limitations, the application of the method to 3D problems has been unaffordable until a few years ago, and then only under the acoustic approximation. Although acoustic wavefield tomography is widely used, a complete solution of the seismic inversion problem requires that we account properly for the physics of wave propagation, and so must include elastic effects. We have developed a 3D tomographic wavefield inversion code that incorporates the full elastic wave equation. The bottle neck of the different implementations is the forward modelling algorithm that generates the synthetic data to be compared with the field seismograms as well as the backpropagation of the residuals needed to form the direction update of the model parameters. Furthermore, one or two extra modelling runs are needed in order to calculate the step-length. Our approach uses a FD scheme explicit time-stepping by finite differences that are 4th order in space and 2nd order in time, which is a 3D version of the one developed by Jean Virieux in 1986. We chose the time domain because an explicit time scheme is much less demanding in terms of memory than its frequency domain analogue, although the discussion of wich domain is more efficient still remains open. We calculate the parameter gradients for Vp and Vs by correlating the normal and shear stress wavefields respectively. A straightforward application would lead to the storage of the wavefield at all grid points at each time-step. We tackled this problem using two different approaches. The first one makes better use of resources for small models of dimension equal

  20. A Cross-Polarization Based Rotating-Frame Separated-Local-Field NMR Experiment Under Ultrafast MAS Conditions

    PubMed Central

    Zhang, Rongchun; Damron, Joshua; Vosegaard, Thomas

    2014-01-01

    Rotating-frame separated-local-field solid-state NMR experiments measure highly resolved heteronuclear dipolar couplings which, in turn, provide valuable interatomic distances for structural and dynamic studies of molecules in the solid-state. Though many different rotating-frame SLF sequences have been put forth, recent gains in ultrafast MAS technology have considerably simplified pulse sequence requirements due to the suppression of proton-proton dipolar interactions. In this study we revisit a simple two-dimensional 1H-13C dipolar coupling/chemical shift correlation experiment using 13C detected Cross-Polarization with a Variable Contact time (CPVC) and systematically study the conditions for its optimal performance at 60 kHz MAS. In addition, we demonstrate the feasibility of a proton-detected version of the CPVC experiment. The theoretical analysis of the CPVC pulse sequence under different Hartmann-Hahn matching conditions confirms that it performs optimally under the ZQ (w1H-w1C=±wr) condition for polarization transfer. The limits of the cross polarization process are explored and precisely defined as a function of offset and Hartmann-Hahn mismatch via spin dynamics simulation and experiments on a powder sample of uniformly 13C-labeled L-isoleucine. Our results show that the performance of the CPVC sequence and subsequent determination of 1H-13C dipolar couplings are insensitive to 1H/13C frequency offset frequency when high RF fields are used on both RF channels. Conversely, the CPVC sequence is quite sensitive to the Hartmann-Hahn mismatch, particularly for systems with weak heteronuclear dipolar couplings. We demonstrate the use of the CPVC based SLF experiment as a tool to identify different carbon groups, and hope to motivate the exploration of more sophisticated 1H detected avenues for ultrafast MAS. PMID:25486635

  1. Supernova Remnant in 3-D

    NASA Technical Reports Server (NTRS)

    2009-01-01

    wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.

    The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.

    This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.

    High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these

  2. Analytical augmentation of 3D simulation environments

    NASA Astrophysics Data System (ADS)

    Loughran, Julia J.; Stahl, Marchelle M.

    1998-05-01

    This paper describes an approach for augmenting three- dimensional (3D) virtual environments (VEs) with analytic information and multimedia annotations to enhance training and education applications. Analytic or symbolic information in VEs is presented as bar charts, text, graphical overlays, or with the use of color. Analytic results can be computed and displayed in the VE at run-time or, more likely, while replaying a simulation. These annotations would typically include computations of pre-defined Measures of Performance (MOPs) or Measures of Effectiveness (MOEs) associated with the training or educational goals of the simulation. Multimedia annotations are inserted into the VE by the user and may include: a drawing or whiteboarding capability, enabling participants to insert written text and/or graphics into the two-dimensional (2D) or 3D world; audio comments, and/or video recordings. These annotations can clarify a point, capture teacher feedback, or elaborate on the student's perspective or understanding of the experience. The annotations are captured in the VE either synchronously or asynchronously from the users (students and instructors), during simulation execution or afterward during a replay. When replaying or reviewing the simulation, the embedded annotations can be reviewed by a single user or by multiple users through the use of collaboration technologies. By augmenting 3D virtual environments with analytic and multimedia annotations, the education and training experience may be enhanced. The annotations can offer more effective feedback, enhance understanding, and increase participation. They may also support distance learning by promoting student/teacher interaction without co-location.

  3. An Automatic Registration Algorithm for 3D Maxillofacial Model

    NASA Astrophysics Data System (ADS)

    Qiu, Luwen; Zhou, Zhongwei; Guo, Jixiang; Lv, Jiancheng

    2016-09-01

    3D image registration aims at aligning two 3D data sets in a common coordinate system, which has been widely used in computer vision, pattern recognition and computer assisted surgery. One challenging problem in 3D registration is that point-wise correspondences between two point sets are often unknown apriori. In this work, we develop an automatic algorithm for 3D maxillofacial models registration including facial surface model and skull model. Our proposed registration algorithm can achieve a good alignment result between partial and whole maxillofacial model in spite of ambiguous matching, which has a potential application in the oral and maxillofacial reparative and reconstructive surgery. The proposed algorithm includes three steps: (1) 3D-SIFT features extraction and FPFH descriptors construction; (2) feature matching using SAC-IA; (3) coarse rigid alignment and refinement by ICP. Experiments on facial surfaces and mandible skull models demonstrate the efficiency and robustness of our algorithm.

  4. Computational Chemistry Meets Experiments for Explaining the Behavior of Bibenzyl: A Thermochemical and Spectroscopic (Infrared, Raman, and NMR) Investigation.

    PubMed

    Latouche, Camille; Barone, Vincenzo

    2014-12-01

    The structure, conformational behavior, and spectroscopic parameters of bibenzyl have been investigated by a computational protocol including proper treatment of anharmonic and hindered rotor contributions. Conventional hybrid functionals overstabilize the anti conformer while low-order post-Hartree-Fock (MP2) approaches strongly favor the gauche conformer. However, inclusion of semiempirical dispersion effects in density functionals or coupled cluster post-Hartree-Fock models agree in forecasting the simultaneous presence of both conformers in the gas phase with a slightly larger stability (0.7 kcal·mol(-1)) of the gauche conformer. Addition of thermal and entropic effects finally leads to very close Gibbs free energies for both conformers and, thus, to a slight preference for the gauche form due to statistical factors (2 vs 1). The situation remains essentially the same in solution. On these grounds, perturbative vibrational computations including both electrical and mechanical anharmonicities lead to IR and Raman spectra in remarkable agreement with experiment. Full assignment of the IR spectra explains the presence of peaks from gauche or anti conformers. Comparison between computed and experimental Raman spectra confirms that both conformers are present in liquid phase, whereas the anti conformer seems to be preponderant in the solid state. Also computed NMR parameters are in good agreement with experiment. PMID:26583241

  5. Sideband separation experiments in NMR with phase incremented echo train acquisition

    NASA Astrophysics Data System (ADS)

    Walder, Brennan J.; Dey, Krishna K.; Kaseman, Derrick C.; Baltisberger, Jay H.; Grandinetti, Philip J.

    2013-05-01

    A general approach for enhancing sensitivity of nuclear magnetic resonance sideband separation experiments, such as Two-Dimensional One Pulse (TOP), Magic-Angle Turning (MAT), and Phase Adjust Spinning Sidebands (PASS) experiments, with phase incremented echo-train acquisition (PIETA) is described. This approach is applicable whenever strong inhomogeneous broadenings dominate the unmodulated frequency resonances, such as in non-crystalline solids or in samples with large residual frequency anisotropy. PIETA provides significant sensitivity enhancements while also eliminating spectral artifacts would normally be present with Carr-Purcell-Meiboom-Gill acquisition. Additionally, an intuitive approach is presented for designing and processing echo train acquisition magnetic resonance experiments on rotating samples. Affine transformations are used to relate the two-dimensional signals acquired in TOP, MAT, and PASS experiments to a common coordinate system. Depending on sequence design and acquisition conditions two significant artifacts can arise from truncated acquisition time and discontinuous damping in the T2 decay. Here we show that the former artifact can always be eliminated through selection of a suitable affine transformation, and give the conditions in which the latter can be minimized or removed entirely.

  6. Picoliter H-1 NMR Spectroscopy

    SciTech Connect

    Minard, Kevin R. ); Wind, Robert A. )

    2002-02-01

    A RF probe that fits inside the bore of a small gradient coil package is described for routine 1H-NMR microscopy measurements on small samples. The probe operates at 500 MHz and houses a 267-um-diameter solenoid transceiver. When used in three dimensional chemical shift imaging (3D-CSI) experiments, the measured signal-to-noise ratio (SNR) is shown to be within 20-30 percent of theoretical limits formulated by only considering the solenoid's resistive losses. This is illustrated using a 100-um-diameter globule of triacylglycerols ({approx}900mM) that may be an oocyte precursor in young Xenopus Laevis frogs, and water sample containing choline at a concentration often found in live cells ({approx}33mM). In chemical shift images generated using a few thousand scans, the choline methyl line is found to have an acceptable SNR in resolved from just 5 picoliters in the Xenopus globule. It is concluded that the probe's sensitivity is sufficient for performing 1H-NMR on picoliter-scale volumes in biological cells and tissues.

  7. Supernova Remnant in 3-D

    NASA Technical Reports Server (NTRS)

    2009-01-01

    wavelengths. Since the amount of the wavelength shift is related to the speed of motion, one can determine how fast the debris are moving in either direction. Because Cas A is the result of an explosion, the stellar debris is expanding radially outwards from the explosion center. Using simple geometry, the scientists were able to construct a 3-D model using all of this information. A program called 3-D Slicer modified for astronomical use by the Astronomical Medicine Project at Harvard University in Cambridge, Mass. was used to display and manipulate the 3-D model. Commercial software was then used to create the 3-D fly-through.

    The blue filaments defining the blast wave were not mapped using the Doppler effect because they emit a different kind of light synchrotron radiation that does not emit light at discrete wavelengths, but rather in a broad continuum. The blue filaments are only a representation of the actual filaments observed at the blast wave.

    This visualization shows that there are two main components to this supernova remnant: a spherical component in the outer parts of the remnant and a flattened (disk-like) component in the inner region. The spherical component consists of the outer layer of the star that exploded, probably made of helium and carbon. These layers drove a spherical blast wave into the diffuse gas surrounding the star. The flattened component that astronomers were unable to map into 3-D prior to these Spitzer observations consists of the inner layers of the star. It is made from various heavier elements, not all shown in the visualization, such as oxygen, neon, silicon, sulphur, argon and iron.

    High-velocity plumes, or jets, of this material are shooting out from the explosion in the plane of the disk-like component mentioned above. Plumes of silicon appear in the northeast and southwest, while those of iron are seen in the southeast and north. These jets were already known and Doppler velocity measurements have been made for these

  8. Determination of Molecular Self-Diffusion Coefficients Using Pulsed-Field-Gradient NMR: An Experiment for Undergraduate Physical Chemistry Laboratory

    ERIC Educational Resources Information Center

    Harmon, Jennifer; Coffman, Cierra; Villarrial, Spring; Chabolla, Steven; Heisel, Kurt A.; Krishnan, Viswanathan V.

    2012-01-01

    NMR spectroscopy has become one of the primary tools that chemists utilize to characterize a range of chemical species in the solution phase, from small organic molecules to medium-sized proteins. A discussion of NMR spectroscopy is an essential component of physical and biophysical chemistry lecture courses, and a number of instructional…

  9. 3D multiplexed immunoplasmonics microscopy

    NASA Astrophysics Data System (ADS)

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-01

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K+ channel subunit KV1.1) on human cancer CD44+ EGFR+ KV1.1+ MDA-MB-231 cells and reference CD44- EGFR- KV1.1+ 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third, the developed

  10. Bridging experiment and theory: A template for unifying NMR data and electronic structure calculations

    DOE PAGESBeta

    Brown, David M. L.; Cho, Herman; de Jong, Wibe A.

    2016-02-09

    Here, the testing of theoretical models with experimental data is an integral part of the scientific method, and a logical place to search for new ways of stimulating scientific productivity. Often experiment/theory comparisons may be viewed as a workflow comprised of well-defined, rote operations distributed over several distinct computers, as exemplified by the way in which predictions from electronic structure theories are evaluated with results from spectroscopic experiments. For workflows such as this, which may be laborious and time consuming to perform manually, software that could orchestrate the operations and transfer results between computers in a seamless and automated fashionmore » would offer major efficiency gains. Such tools also promise to alter how researchers interact with data outside their field of specialization by, e.g., making raw experimental results more accessible to theorists, and the outputs of theoretical calculations more readily comprehended by experimentalists.« less

  11. NIF Ignition Target 3D Point Design

    SciTech Connect

    Jones, O; Marinak, M; Milovich, J; Callahan, D

    2008-11-05

    We have developed an input file for running 3D NIF hohlraums that is optimized such that it can be run in 1-2 days on parallel computers. We have incorporated increasing levels of automation into the 3D input file: (1) Configuration controlled input files; (2) Common file for 2D and 3D, different types of capsules (symcap, etc.); and (3) Can obtain target dimensions, laser pulse, and diagnostics settings automatically from NIF Campaign Management Tool. Using 3D Hydra calculations to investigate different problems: (1) Intrinsic 3D asymmetry; (2) Tolerance to nonideal 3D effects (e.g. laser power balance, pointing errors); and (3) Synthetic diagnostics.

  12. 3D multiplexed immunoplasmonics microscopy.

    PubMed

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-21

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K(+) channel subunit KV1.1) on human cancer CD44(+) EGFR(+) KV1.1(+) MDA-MB-231 cells and reference CD44(-) EGFR(-) KV1.1(+) 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third

  13. Residue-specific NH exchange rates studied by NMR diffusion experiments

    NASA Astrophysics Data System (ADS)

    Brand, Torsten; Cabrita, Eurico J.; Morris, Gareth A.; Günther, Robert; Hofmann, Hans-Jörg; Berger, Stefan

    2007-07-01

    We present a novel approach to the investigation of rapid (>2 s -1) NH exchange rates in proteins, based on residue-specific diffusion measurements. 1H, 15N-DOSY-HSQC spectra are recorded in order to observe resolved amide proton signals for most residues of the protein. Human ubiquitin was used to demonstrate the proposed method. Exchange rates are derived directly from the decay data of the diffusion experiment by applying a model deduced from the assumption of a two-site exchange with water and the "pure" diffusion coefficients of water and protein. The "pure" diffusion coefficient of the protein is determined in an experiment with selective excitation of the amide protons in order to suppress the influence of magnetization transfer from water to amide protons on the decay data. For rapidly exchanging residues a comparison of our results with the exchange rates obtained in a MEXICO experiment showed good agreement. Molecular dynamics (MD) and quantum mechanical calculations were performed to find molecular parameters correlating with the exchangeability of the NH protons. The RMS fluctuations of the amide protons, obtained from the MD simulations, together with the NH coupling constants provide a bilinear model which shows a good correlation with the experimental NH exchange rates.

  14. 3D Kitaev spin liquids

    NASA Astrophysics Data System (ADS)

    Hermanns, Maria

    The Kitaev honeycomb model has become one of the archetypal spin models exhibiting topological phases of matter, where the magnetic moments fractionalize into Majorana fermions interacting with a Z2 gauge field. In this talk, we discuss generalizations of this model to three-dimensional lattice structures. Our main focus is the metallic state that the emergent Majorana fermions form. In particular, we discuss the relation of the nature of this Majorana metal to the details of the underlying lattice structure. Besides (almost) conventional metals with a Majorana Fermi surface, one also finds various realizations of Dirac semi-metals, where the gapless modes form Fermi lines or even Weyl nodes. We introduce a general classification of these gapless quantum spin liquids using projective symmetry analysis. Furthermore, we briefly outline why these Majorana metals in 3D Kitaev systems provide an even richer variety of Dirac and Weyl phases than possible for electronic matter and comment on possible experimental signatures. Work done in collaboration with Kevin O'Brien and Simon Trebst.

  15. 3D ultrafast laser scanner

    NASA Astrophysics Data System (ADS)

    Mahjoubfar, A.; Goda, K.; Wang, C.; Fard, A.; Adam, J.; Gossett, D. R.; Ayazi, A.; Sollier, E.; Malik, O.; Chen, E.; Liu, Y.; Brown, R.; Sarkhosh, N.; Di Carlo, D.; Jalali, B.

    2013-03-01

    Laser scanners are essential for scientific research, manufacturing, defense, and medical practice. Unfortunately, often times the speed of conventional laser scanners (e.g., galvanometric mirrors and acousto-optic deflectors) falls short for many applications, resulting in motion blur and failure to capture fast transient information. Here, we present a novel type of laser scanner that offers roughly three orders of magnitude higher scan rates than conventional methods. Our laser scanner, which we refer to as the hybrid dispersion laser scanner, performs inertia-free laser scanning by dispersing a train of broadband pulses both temporally and spatially. More specifically, each broadband pulse is temporally processed by time stretch dispersive Fourier transform and further dispersed into space by one or more diffractive elements such as prisms and gratings. As a proof-of-principle demonstration, we perform 1D line scans at a record high scan rate of 91 MHz and 2D raster scans and 3D volumetric scans at an unprecedented scan rate of 105 kHz. The method holds promise for a broad range of scientific, industrial, and biomedical applications. To show the utility of our method, we demonstrate imaging, nanometer-resolved surface vibrometry, and high-precision flow cytometry with real-time throughput that conventional laser scanners cannot offer due to their low scan rates.

  16. Crowdsourcing Based 3d Modeling

    NASA Astrophysics Data System (ADS)

    Somogyi, A.; Barsi, A.; Molnar, B.; Lovas, T.

    2016-06-01

    Web-based photo albums that support organizing and viewing the users' images are widely used. These services provide a convenient solution for storing, editing and sharing images. In many cases, the users attach geotags to the images in order to enable using them e.g. in location based applications on social networks. Our paper discusses a procedure that collects open access images from a site frequently visited by tourists. Geotagged pictures showing the image of a sight or tourist attraction are selected and processed in photogrammetric processing software that produces the 3D model of the captured object. For the particular investigation we selected three attractions in Budapest. To assess the geometrical accuracy, we used laser scanner and DSLR as well as smart phone photography to derive reference values to enable verifying the spatial model obtained from the web-album images. The investigation shows how detailed and accurate models could be derived applying photogrammetric processing software, simply by using images of the community, without visiting the site.

  17. 3D multiplexed immunoplasmonics microscopy

    NASA Astrophysics Data System (ADS)

    Bergeron, Éric; Patskovsky, Sergiy; Rioux, David; Meunier, Michel

    2016-07-01

    Selective labelling, identification and spatial distribution of cell surface biomarkers can provide important clinical information, such as distinction between healthy and diseased cells, evolution of a disease and selection of the optimal patient-specific treatment. Immunofluorescence is the gold standard for efficient detection of biomarkers expressed by cells. However, antibodies (Abs) conjugated to fluorescent dyes remain limited by their photobleaching, high sensitivity to the environment, low light intensity, and wide absorption and emission spectra. Immunoplasmonics is a novel microscopy method based on the visualization of Abs-functionalized plasmonic nanoparticles (fNPs) targeting cell surface biomarkers. Tunable fNPs should provide higher multiplexing capacity than immunofluorescence since NPs are photostable over time, strongly scatter light at their plasmon peak wavelengths and can be easily functionalized. In this article, we experimentally demonstrate accurate multiplexed detection based on the immunoplasmonics approach. First, we achieve the selective labelling of three targeted cell surface biomarkers (cluster of differentiation 44 (CD44), epidermal growth factor receptor (EGFR) and voltage-gated K+ channel subunit KV1.1) on human cancer CD44+ EGFR+ KV1.1+ MDA-MB-231 cells and reference CD44- EGFR- KV1.1+ 661W cells. The labelling efficiency with three stable specific immunoplasmonics labels (functionalized silver nanospheres (CD44-AgNSs), gold (Au) NSs (EGFR-AuNSs) and Au nanorods (KV1.1-AuNRs)) detected by reflected light microscopy (RLM) is similar to the one with immunofluorescence. Second, we introduce an improved method for 3D localization and spectral identification of fNPs based on fast z-scanning by RLM with three spectral filters corresponding to the plasmon peak wavelengths of the immunoplasmonics labels in the cellular environment (500 nm for 80 nm AgNSs, 580 nm for 100 nm AuNSs and 700 nm for 40 nm × 92 nm AuNRs). Third, the developed

  18. Filling gaps in cultural heritage documentation by 3D photography

    NASA Astrophysics Data System (ADS)

    Schuhr, W.; Lee, J. D.

    2015-08-01

    This contribution promotes 3D photography as an important tool to obtain objective object information. Keeping mainly in mind World Heritage documentation as well as Heritage protection, it is another intention of this paper, to stimulate the interest in applications of 3D photography for professionals as well as for amateurs. In addition this is also an activity report of the international CIPA task group 3. The main part of this paper starts with "Digging the treasure of existing international 3D photography". This does not only belong to tangible but also to intangible Cultural Heritage. 3D photography clearly supports the recording, the visualization, the preservation and the restoration of architectural and archaeological objects. Therefore the use of 3D photography in C.H. should increase on an international level. The presented samples in 3D represent a voluminous, almost partly "forgotten treasure" of international archives for 3D photography. The next chapter is on "Promoting new 3D photography in Cultural Heritage". Though 3D photographs are a well-established basic photographic and photogrammetric tool, even suited to provide "near real" documentation, they are still a matter of research and improvement. Beside the use of 3D cameras even single lenses cameras are very much suited for photographic 3D documentation purposes in Cultural Heritage. Currently at the Faculty of Civil Engineering of the University of Applied Sciences Magdeburg-Stendal, low altitude aerial photography is exposed from a maximum height of 13m, using a hand hold carbon telescope rod. The use of this "huge selfie stick" is also an (international) recommendation, to expose high resolution 3D photography of monuments under expedition conditions. In addition to the carbon rod recently a captive balloon and a hexacopter UAV- platform is in use, mainly to take better synoptically (extremely low altitude, ground truth) aerial photography. Additional experiments with respect to "easy

  19. Have 3D, Will Travel

    ERIC Educational Resources Information Center

    Duncan, Mike R.; Birrell, Bob; Williams, Toni

    2005-01-01

    Virtual Reality (VR) is primarily a visual technology. Elements such as haptics (touch feedback) and sound can augment an experience, but the visual cues are the prime driver of what an audience will experience from a VR presentation. At its inception in 2001 the Centre for Advanced Visualization (CFAV) at Niagara College of Arts and Technology…

  20. Strategy for complete NMR assignment of disordered proteins with highly repetitive sequences based on resolution-enhanced 5D experiments

    PubMed Central

    Motáčková, Veronika; Nováček, Jiří; Zawadzka-Kazimierczuk, Anna; Kazimierczuk, Krzysztof; Šanderová, Hana; Krásný, Libor; Koźmiński, Wiktor; Sklenář, Vladimír

    2010-01-01

    A strategy for complete backbone and side-chain resonance assignment of disordered proteins with highly repetitive sequence is presented. The protocol is based on three resolution-enhanced NMR experiments: 5D HN(CA)CONH provides sequential connectivity, 5D HabCabCONH is utilized to identify amino acid types, and 5D HC(CC-TOCSY)CONH is used to assign the side-chain resonances. The improved resolution was achieved by a combination of high dimensionality and long evolution times, allowed by non-uniform sampling in the indirect dimensions. Random distribution of the data points and Sparse Multidimensional Fourier Transform processing were used. Successful application of the assignment procedure to a particularly difficult protein, δ subunit of RNA polymerase from Bacillus subtilis, is shown to prove the efficiency of the strategy. The studied protein contains a disordered C-terminal region of 81 amino acids with a highly repetitive sequence. While the conventional assignment methods completely failed due to a very small differences in chemical shifts, the presented strategy provided a complete backbone and side-chain assignment. Electronic supplementary material The online version of this article (doi:10.1007/s10858-010-9447-3) contains supplementary material, which is available to authorized users. PMID:20890634

  1. 3-D Cavern Enlargement Analyses

    SciTech Connect

    EHGARTNER, BRIAN L.; SOBOLIK, STEVEN R.

    2002-03-01

    Three-dimensional finite element analyses simulate the mechanical response of enlarging existing caverns at the Strategic Petroleum Reserve (SPR). The caverns are located in Gulf Coast salt domes and are enlarged by leaching during oil drawdowns as fresh water is injected to displace the crude oil from the caverns. The current criteria adopted by the SPR limits cavern usage to 5 drawdowns (leaches). As a base case, 5 leaches were modeled over a 25 year period to roughly double the volume of a 19 cavern field. Thirteen additional leaches where then simulated until caverns approached coalescence. The cavern field approximated the geometries and geologic properties found at the West Hackberry site. This enabled comparisons are data collected over nearly 20 years to analysis predictions. The analyses closely predicted the measured surface subsidence and cavern closure rates as inferred from historic well head pressures. This provided the necessary assurance that the model displacements, strains, and stresses are accurate. However, the cavern field has not yet experienced the large scale drawdowns being simulated. Should they occur in the future, code predictions should be validated with actual field behavior at that time. The simulations were performed using JAS3D, a three dimensional finite element analysis code for nonlinear quasi-static solids. The results examine the impacts of leaching and cavern workovers, where internal cavern pressures are reduced, on surface subsidence, well integrity, and cavern stability. The results suggest that the current limit of 5 oil drawdowns may be extended with some mitigative action required on the wells and later on to surface structure due to subsidence strains. The predicted stress state in the salt shows damage to start occurring after 15 drawdowns with significant failure occurring at the 16th drawdown, well beyond the current limit of 5 drawdowns.

  2. Embedding objects during 3D printing to add new functionalities.

    PubMed

    Yuen, Po Ki

    2016-07-01

    A novel method for integrating and embedding objects to add new functionalities during 3D printing based on fused deposition modeling (FDM) (also known as fused filament fabrication or molten polymer deposition) is presented. Unlike typical 3D printing, FDM-based 3D printing could allow objects to be integrated and embedded during 3D printing and the FDM-based 3D printed devices do not typically require any post-processing and finishing. Thus, various fluidic devices with integrated glass cover slips or polystyrene films with and without an embedded porous membrane, and optical devices with embedded Corning(®) Fibrance™ Light-Diffusing Fiber were 3D printed to demonstrate the versatility of the FDM-based 3D printing and embedding method. Fluid perfusion flow experiments with a blue colored food dye solution were used to visually confirm fluid flow and/or fluid perfusion through the embedded porous membrane in the 3D printed fluidic devices. Similar to typical 3D printed devices, FDM-based 3D printed devices are translucent at best unless post-polishing is performed and optical transparency is highly desirable in any fluidic devices; integrated glass cover slips or polystyrene films would provide a perfect optical transparent window for observation and visualization. In addition, they also provide a compatible flat smooth surface for biological or biomolecular applications. The 3D printed fluidic devices with an embedded porous membrane are applicable to biological or chemical applications such as continuous perfusion cell culture or biocatalytic synthesis but without the need for any post-device assembly and finishing. The 3D printed devices with embedded Corning(®) Fibrance™ Light-Diffusing Fiber would have applications in display, illumination, or optical applications. Furthermore, the FDM-based 3D printing and embedding method could also be utilized to print casting molds with an integrated glass bottom for polydimethylsiloxane (PDMS) device replication

  3. A 3-D microfluidic combinatorial cell array.

    PubMed

    Liu, Mike C; Tai, Yu-Chong

    2011-02-01

    We present the development of a three-dimensional (3-D) combinatorial cell culture array device featured with integrated three-input, eight-output combinatorial mixer and cell culture chambers. The device is designed for cell-based screening of multiple compounds simultaneously on a microfluidic platform. The final assembled device is composed of a porous membrane integrated in between a Parylene 3-D microfluidic chip and a PDMS microfluidic chip. The membrane turned the cell culture chambers into two-level configuration to facilitate cell loading and to maintain cells in a diffusion dominated space during device operation. Experimentally, we first characterized the combined compound concentration profile at each chamber using a fluorescence method. We then successfully demonstrated the functionality of the quantitative cell-based assay by culturing B35 rat neuronal cells on this device and screening the ability of three compounds (1,5-dihydroxyisoquinoline, deferoxamine, and 3-aminobenzoic acid) to attenuate cell death caused by cytotoxic hydrogen peroxide. In another experiment, we assayed for the combinatorial effects of three chemotherapeutic compound exposures (vinorelbine, paclitaxel, and γ-linolenic acid) on human breast cancer cells, MDA-MB-231. The same technology will enable the construction of inexpensive lab-on-a-chip devices with high-input combinatorial mixer for performing high-throughput cell-based assay and highly parallel and combinatorial chemical or biochemical reactions. PMID:21063783

  4. Spin fluctuations in 3d paramagnetic metals

    NASA Astrophysics Data System (ADS)

    Wysocki, Aleksander; Kutepov, Andrey; Antropov, Vladimir

    Spin fluctuations (SFs) in 3d paramagnetic metals were investigated using the linear response formalism within the time dependent density functional theory. An efficient scheme of frequency integration using the Matsubara technique has been implemented and tested. The SFs spectrum in 3d paramagnets is analyzed in real and reciprocal spaces as a function of frequency and temperature. For all materials the SFs are characterized by the coexistence of low and high energy branches which originate from different regions of the Brillouin zone. The low-energy ones can be measured by neutron scattering experiments while the high-energy SFs appear to be more localized. Further, we studied the nature of square of fluctuating magnetic moment in these materials. This work was supported, in part, by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy (DOE), and by the Office of Basic Energy Science, Division of Materials Science and Engineering. The research was performed at Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under contract # DE-AC02-07CH11358.

  5. 3D structure and nuclear targets

    NASA Astrophysics Data System (ADS)

    Dupré, Raphaël; Scopetta, Sergio

    2016-06-01

    Recent experimental and theoretical ideas are laying the ground for a new era in the knowledge of the parton structure of nuclei. We report on two promising directions beyond inclusive deep inelastic scattering experiments, aimed at, among other goals, unveiling the three-dimensional structure of the bound nucleon. The 3D structure in coordinate space can be accessed through deep exclusive processes, whose non-perturbative content is parametrized in terms of generalized parton distributions. In this way the distribution of partons in the transverse plane will be obtained, providing a pictorial view of the realization of the European Muon Collaboration effect. In particular, we show how, through the generalized parton distribution framework, non-nucleonic degrees of freedom in nuclei can be unveiled. Analogously, the momentum space 3D structure can be accessed by studying transverse-momentum-dependent parton distributions in semi-inclusive deep inelastic scattering processes. The status of measurements is also summarized, in particular novel coincidence measurements at high-luminosity facilities, such as Jefferson Laboratory. Finally the prospects for the next years at future facilities, such as the 12GeV Jefferson Laboratory and the Electron Ion Collider, are presented.

  6. 3-D Printed High Power Microwave Magnetrons

    NASA Astrophysics Data System (ADS)

    Jordan, Nicholas; Greening, Geoffrey; Exelby, Steven; Gilgenbach, Ronald; Lau, Y. Y.; Hoff, Brad

    2015-11-01

    The size, weight, and power requirements of HPM systems are critical constraints on their viability, and can potentially be improved through the use of additive manufacturing techniques, which are rapidly increasing in capability and affordability. Recent experiments on the UM Recirculating Planar Magnetron (RPM), have explored the use of 3-D printed components in a HPM system. The system was driven by MELBA-C, a Marx-Abramyan system which delivers a -300 kV voltage pulse for 0.3-1.0 us, with a 0.15-0.3 T axial magnetic field applied by a pair of electromagnets. Anode blocks were printed from Water Shed XC 11122 photopolymer using a stereolithography process, and prepared with either a spray-coated or electroplated finish. Both manufacturing processes were compared against baseline data for a machined aluminum anode, noting any differences in power output, oscillation frequency, and mode stability. Evolution and durability of the 3-D printed structures were noted both visually and by tracking vacuum inventories via a residual gas analyzer. Research supported by AFOSR (grant #FA9550-15-1-0097) and AFRL.

  7. Virtual VMASC: A 3D Game Environment

    NASA Technical Reports Server (NTRS)

    Manepalli, Suchitra; Shen, Yuzhong; Garcia, Hector M.; Lawsure, Kaleen

    2010-01-01

    The advantages of creating interactive 3D simulations that allow viewing, exploring, and interacting with land improvements, such as buildings, in digital form are manifold and range from allowing individuals from anywhere in the world to explore those virtual land improvements online, to training military personnel in dealing with war-time environments, and to making those land improvements available in virtual worlds such as Second Life. While we haven't fully explored the true potential of such simulations, we have identified a requirement within our organization to use simulations like those to replace our front-desk personnel and allow visitors to query, naVigate, and communicate virtually with various entities within the building. We implemented the Virtual VMASC 3D simulation of the Virginia Modeling Analysis and Simulation Center (VMASC) office building to not only meet our front-desk requirement but also to evaluate the effort required in designing such a simulation and, thereby, leverage the experience we gained in future projects of this kind. This paper describes the goals we set for our implementation, the software approach taken, the modeling contribution made, and the technologies used such as XNA Game Studio, .NET framework, Autodesk software packages, and, finally, the applicability of our implementation on a variety of architectures including Xbox 360 and PC. This paper also summarizes the result of our evaluation and the lessons learned from our effort.

  8. Imaging a Sustainable Future in 3D

    NASA Astrophysics Data System (ADS)

    Schuhr, W.; Lee, J. D.; Kanngieser, E.

    2012-07-01

    It is the intention of this paper, to contribute to a sustainable future by providing objective object information based on 3D photography as well as promoting 3D photography not only for scientists, but also for amateurs. Due to the presentation of this article by CIPA Task Group 3 on "3D Photographs in Cultural Heritage", the presented samples are masterpieces of historic as well as of current 3D photography concentrating on cultural heritage. In addition to a report on exemplarily access to international archives of 3D photographs, samples for new 3D photographs taken with modern 3D cameras, as well as by means of a ground based high resolution XLITE staff camera and also 3D photographs taken from a captive balloon and the use of civil drone platforms are dealt with. To advise on optimum suited 3D methodology, as well as to catch new trends in 3D, an updated synoptic overview of the 3D visualization technology, even claiming completeness, has been carried out as a result of a systematic survey. In this respect, e.g., today's lasered crystals might be "early bird" products in 3D, which, due to lack in resolution, contrast and color, remember to the stage of the invention of photography.

  9. Teaching Geography with 3-D Visualization Technology

    ERIC Educational Resources Information Center

    Anthamatten, Peter; Ziegler, Susy S.

    2006-01-01

    Technology that helps students view images in three dimensions (3-D) can support a broad range of learning styles. "Geo-Wall systems" are visualization tools that allow scientists, teachers, and students to project stereographic images and view them in 3-D. We developed and presented 3-D visualization exercises in several undergraduate courses.…

  10. 3D Printing and Its Urologic Applications

    PubMed Central

    Soliman, Youssef; Feibus, Allison H; Baum, Neil

    2015-01-01

    3D printing is the development of 3D objects via an additive process in which successive layers of material are applied under computer control. This article discusses 3D printing, with an emphasis on its historical context and its potential use in the field of urology. PMID:26028997

  11. 3D Flow Visualization Using Texture Advection

    NASA Technical Reports Server (NTRS)

    Kao, David; Zhang, Bing; Kim, Kwansik; Pang, Alex; Moran, Pat (Technical Monitor)

    2001-01-01

    Texture advection is an effective tool for animating and investigating 2D flows. In this paper, we discuss how this technique can be extended to 3D flows. In particular, we examine the use of 3D and 4D textures on 3D synthetic and computational fluid dynamics flow fields.

  12. 3D Elastic Seismic Wave Propagation Code

    1998-09-23

    E3D is capable of simulating seismic wave propagation in a 3D heterogeneous earth. Seismic waves are initiated by earthquake, explosive, and/or other sources. These waves propagate through a 3D geologic model, and are simulated as synthetic seismograms or other graphical output.

  13. 3D Printing and Its Urologic Applications.

    PubMed

    Soliman, Youssef; Feibus, Allison H; Baum, Neil

    2015-01-01

    3D printing is the development of 3D objects via an additive process in which successive layers of material are applied under computer control. This article discusses 3D printing, with an emphasis on its historical context and its potential use in the field of urology. PMID:26028997

  14. Phase Cycling Schemes for finite-pulse-RFDR MAS Solid State NMR Experiments

    PubMed Central

    Zhang, Rongchun; Nishiyama, Yusuke; Sun, Pingchuan; Ramamoorthy, Ayyalusamy

    2015-01-01

    The finite-pulse radio frequency driven dipolar recoupling (fp-RFDR) pulse sequence is used in 2D homonuclear chemical shift correlation experiments under magic angle spinning (MAS). A recent study demonstrated the advantages of using a short phase cycle, XY4, and its super-cycle, XY414, for the fp-RFDR pulse sequence employed in 2D 1H/1H single-quantum/single-quantum correlation experiments under ultrafast MAS conditions. In this study, we report a comprehensive analysis on the dipolar recoupling efficiencies of XY4, XY412, XY413, XY414, and XY814 phase cycles under different spinning speeds ranging from 10 to 100 kHz. The theoretical calculations reveal the presence of second-order terms (T10T2,±2, T1,±1T2,±1, etc.) in the recoupled homonuclear dipolar coupling Hamiltonian only when the basic XY4 phase cycle is utilized, making it advantageous for proton-proton magnetization transfer under ultrafast MAS conditions. It is also found that the recoupling efficiency of fp-RFDR is quite dependent on the duty factor (τ180/τR) as well as on the strength of homonuclear dipolar couplings. The rate of longitudinal magnetization transfer increases linearly with the duty factor of fp-RFDR for all the XY-based phase cycles investigated in this study. Examination of the performances of different phase cycles against chemical shift offset and RF field in homogeneity effects revealed that XY414 is the most tolerant phase cycle, while the shortest phase cycle XY4 suppressed the RF field inhomogeneity effects most efficiently under slow spinning speeds. Our results suggest that the difference in the fp-RFDR recoupling efficiencies decreases with the increasing MAS speed, while ultrafast (>60 kHz) spinning speed is advantageous as it recouples a large amount of homonuclear dipolar couplings and therefore enable fast magnetization exchange. The effects of higher-order terms and cross terms between various interactions in the effective Hamiltonian of fp-RFDR are also analyzed

  15. 3D Viewing: Odd Perception - Illusion? reality? or both?

    NASA Astrophysics Data System (ADS)

    Kisimoto, K.; Iizasa, K.

    2008-12-01

    We live in the three dimensional space, don't we? It could be at least four dimensions, but that is another story. In either way our perceptual capability of 3D-Viewing is constrained by our 2D-perception (our intrinsic tools of perception). I carried out a few visual experiments using topographic data to show our intrinsic (or biological) disability (or shortcoming) in 3D-recognition of our world. Results of the experiments suggest: (1) 3D-surface model displayed on a 2D-computer screen (or paper) always has two interpretations of the 3D- surface geometry, if we choose one of the interpretation (in other word, if we are hooked by one perception of the two), we maintain its perception even if the 3D-model changes its viewing perspective in time shown on the screen, (2) more interesting is that 3D-real solid object (e.g.,made of clay) also gives above mentioned two interpretations of the geometry of the object, if we observe the object with one-eye. Most famous example of this viewing illusion is exemplified by a magician, who died in 2007, Jerry Andrus who made a super-cool paper crafted dragon which causes visual illusion to one-eyed viewer. I, by the experiments, confirmed this phenomenon in another perceptually persuasive (deceptive?) way. My conclusion is that this illusion is intrinsic, i.e. reality for human, because, even if we live in 3D-space, our perceptional tool (eyes) is composed of 2D sensors whose information is reconstructed or processed to 3D by our experience-based brain. So, (3) when we observe the 3D-surface-model on the computer screen, we are always one eye short even if we use both eyes. One last suggestion from my experiments is that recent highly sophisticated 3D- models might include too many information that human perceptions cannot handle properly, i.e. we might not be understanding the 3D world (geospace) at all, just illusioned.

  16. 3D face recognition based on a modified ICP method

    NASA Astrophysics Data System (ADS)

    Zhao, Kankan; Xi, Jiangtao; Yu, Yanguang; Chicharo, Joe F.

    2011-11-01

    3D face recognition technique has gained much more attention recently, and it is widely used in security system, identification system, and access control system, etc. The core technique in 3D face recognition is to find out the corresponding points in different 3D face images. The classic partial Iterative Closest Point (ICP) method is iteratively align the two point sets based on repetitively calculate the closest points as the corresponding points in each iteration. After several iterations, the corresponding points can be obtained accurately. However, if two 3D face images with different scale are from the same person, the classic partial ICP does not work. In this paper we propose a modified partial Iterative Closest Point (ICP) method in which the scaling effect is considered to achieve 3D face recognition. We design a 3x3 diagonal matrix as the scale matrix in each iteration of the classic partial ICP. The probing face image which is multiplied by the scale matrix will keep the similar scale with the reference face image. Therefore, we can accurately determine the corresponding points even the scales of probing image and reference image are different. 3D face images in our experiments are acquired by a 3D data acquisition system based on Digital Fringe Projection Profilometry (DFPP). A 3D database consists of 30 group images, three images with the same scale, which are from the same person with different views, are included in each group. And in different groups, the scale of the 3 images may be different from other groups. The experiment results show that our proposed method can achieve 3D face recognition, especially in the case that the scales of probing image and referent image are different.

  17. Non-Uniform Sampling and J-UNIO Automation for Efficient Protein NMR Structure Determination.

    PubMed

    Didenko, Tatiana; Proudfoot, Andrew; Dutta, Samit Kumar; Serrano, Pedro; Wüthrich, Kurt

    2015-08-24

    High-resolution structure determination of small proteins in solution is one of the big assets of NMR spectroscopy in structural biology. Improvements in the efficiency of NMR structure determination by advances in NMR experiments and automation of data handling therefore attracts continued interest. Here, non-uniform sampling (NUS) of 3D heteronuclear-resolved [(1)H,(1)H]-NOESY data yielded two- to three-fold savings of instrument time for structure determinations of soluble proteins. With the 152-residue protein NP_372339.1 from Staphylococcus aureus and the 71-residue protein NP_346341.1 from Streptococcus pneumonia we show that high-quality structures can be obtained with NUS NMR data, which are equally well amenable to robust automated analysis as the corresponding uniformly sampled data. PMID:26227870

  18. Physical and Chemical Effects of Two-Phase Brine/Supercritical-CO2 Fluid Flow on Clastic Rocks: Real-Time Monitoring and NMR Imaging of Flow-Through Core Experiments

    NASA Astrophysics Data System (ADS)

    Shaw, C. A.; Vogt, S.; Maneval, J. E.; Brox, T.; Skidmore, M. L.; Codd, S. L.; Seymour, J. D.

    2010-12-01

    Sandstone core samples were challenged with a supercritical CO2-saturated brine mixture in a laboratory flow-through core reactor system over a range of temperatures and brine strengths. Cores of quartz arenite from the Berea formation were selected to represent ideal ‘clean’ sandstone These laboratory experiments potentially provide an analog for the acidification of pore fluids near the brine/CO2 interface during CO2 flooding of depleted clastic hydrocarbon reservoirs for carbon sequestration. Flow in the reactor was perpendicular to bedding. Initial experiments were run at 50°C and 100°C with brine concentrations of 1g/L and 10g/L (TDS) to test effects of different temperatures and brine compositions. Real-time monitoring of fluid pH and conductivity provided a measure of reaction rates. Introduction of supercritical CO2 into the brine-saturated cores initiated a reduction in pH accompanied by an increase in conductivity. NMR images of fresh cores were compared with images of challenged cores using a protocol for pixel-by-pixel comparison to determine the effects on bulk pore volume and geometry. Two types of imaging experiments were conducted: multi-slice spin echo and 3-D spin echo images. Multi-slice experiments had a slice thickness of 1.5 mm and an in-plane resolution of 0.27 mm x 0.27 mm, and 3-D experiments had a resolution of 0.47 mm x 0.55 mm x 0.55mm. Imaging results reflected the observed changes in the physical and chemical structure post-challenge. Two-dimensional relaxation correlation experiments were also conducted to probe the pore sizes, connectivity and fluid saturation of the rock cores before and after challenging. Chemical analyses and microscopic examination of the challenged cores will provide a better understanding of alteration in the cores and the changes in the volume, geometry and connectivity of pore space.

  19. 3-D Perspective Pasadena, California

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This perspective view shows the western part of the city of Pasadena, California, looking north towards the San Gabriel Mountains. Portions of the cities of Altadena and La Canada, Flintridge are also shown. The image was created from three datasets: the Shuttle Radar Topography Mission (SRTM) supplied the elevation data; Landsat data from November 11, 1986 provided the land surface color (not the sky) and U.S. Geological Survey digital aerial photography provides the image detail. The Rose Bowl, surrounded by a golf course, is the circular feature at the bottom center of the image. The Jet Propulsion Laboratory is the cluster of large buildings north of the Rose Bowl at the base of the mountains. A large landfill, Scholl Canyon, is the smooth area in the lower left corner of the scene. This image shows the power of combining data from different sources to create planning tools to study problems that affect large urban areas. In addition to the well-known earthquake hazards, Southern California is affected by a natural cycle of fire and mudflows. Wildfires strip the mountains of vegetation, increasing the hazards from flooding and mudflows for several years afterwards. Data such as shown on this image can be used to predict both how wildfires will spread over the terrain and also how mudflows will be channeled down the canyons. The Shuttle Radar Topography Mission (SRTM), launched on February 11, 2000, uses the same radar instrument that comprised the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR) that flew twice on the Space Shuttle Endeavour in 1994. The mission was designed to collect three dimensional measurements of the Earth's surface. To collect the 3-D data, engineers added a 60-meter-long (200-foot) mast, an additional C-band imaging antenna and improved tracking and navigation devices. The mission is a cooperative project between the National Aeronautics and Space Administration (NASA), the National Imagery and Mapping Agency

  20. The Esri 3D city information model

    NASA Astrophysics Data System (ADS)

    Reitz, T.; Schubiger-Banz, S.

    2014-02-01

    With residential and commercial space becoming increasingly scarce, cities are going vertical. Managing the urban environments in 3D is an increasingly important and complex undertaking. To help solving this problem, Esri has released the ArcGIS for 3D Cities solution. The ArcGIS for 3D Cities solution provides the information model, tools and apps for creating, analyzing and maintaining a 3D city using the ArcGIS platform. This paper presents an overview of the 3D City Information Model and some sample use cases.

  1. Case study: Beauty and the Beast 3D: benefits of 3D viewing for 2D to 3D conversion

    NASA Astrophysics Data System (ADS)

    Handy Turner, Tara

    2010-02-01

    From the earliest stages of the Beauty and the Beast 3D conversion project, the advantages of accurate desk-side 3D viewing was evident. While designing and testing the 2D to 3D conversion process, the engineering team at Walt Disney Animation Studios proposed a 3D viewing configuration that not only allowed artists to "compose" stereoscopic 3D but also improved efficiency by allowing artists to instantly detect which image features were essential to the stereoscopic appeal of a shot and which features had minimal or even negative impact. At a time when few commercial 3D monitors were available and few software packages provided 3D desk-side output, the team designed their own prototype devices and collaborated with vendors to create a "3D composing" workstation. This paper outlines the display technologies explored, final choices made for Beauty and the Beast 3D, wish-lists for future development and a few rules of thumb for composing compelling 2D to 3D conversions.

  2. Stereoscopic 3D video games and their effects on engagement

    NASA Astrophysics Data System (ADS)

    Hogue, Andrew; Kapralos, Bill; Zerebecki, Chris; Tawadrous, Mina; Stanfield, Brodie; Hogue, Urszula

    2012-03-01

    With television manufacturers developing low-cost stereoscopic 3D displays, a large number of consumers will undoubtedly have access to 3D-capable televisions at home. The availability of 3D technology places the onus on content creators to develop interesting and engaging content. While the technology of stereoscopic displays and content generation are well understood, there are many questions yet to be answered surrounding its effects on the viewer. Effects of stereoscopic display on passive viewers for film are known, however video games are fundamentally different since the viewer/player is actively (rather than passively) engaged in the content. Questions of how stereoscopic viewing affects interaction mechanics have previously been studied in the context of player performance but very few have attempted to quantify the player experience to determine whether stereoscopic 3D has a positive or negative influence on their overall engagement. In this paper we present a preliminary study of the effects stereoscopic 3D have on player engagement in video games. Participants played a video game in two conditions, traditional 2D and stereoscopic 3D and their engagement was quantified using a previously validated self-reporting tool. The results suggest that S3D has a positive effect on immersion, presence, flow, and absorption.

  3. Examination of 3D visual attention in stereoscopic video content

    NASA Astrophysics Data System (ADS)

    Huynh-Thu, Quan; Schiatti, Luca

    2011-03-01

    Recent advances in video technology and digital cinema have made it possible to produce entertaining 3D stereoscopic content that can be viewed for an extended duration without necessarily causing extreme fatigue, visual strain and discomfort. Viewers focus naturally their attention on specific areas of interest in their visual field. Visual attention is an important aspect of perception and its understanding is therefore an important aspect for the creation of 3D stereoscopic content. Most of the studies on visual attention have focused on the case of still images or 2D video. Only a very few studies have investigated eye movement patterns in 3D stereoscopic moving sequences, and how these may differ from viewing 2D video content. In this paper, we present and discuss the results of a subjective experiment that we conducted using an eye-tracking apparatus to record observers' gaze patterns. Participants were asked to watch the same set of video clips in a free-viewing task. Each clip was shown in a 3D stereoscopic version and 2D version. Our results indicate that the extent of areas of interests is not necessarily wider in 3D. We found a very strong content dependency in the difference of density and locations of fixations between 2D and 3D stereoscopic content. However, we found that saccades were overall faster and that fixation durations were overall lower when observers viewed the 3D stereoscopic version.

  4. 3D laptop for defense applications

    NASA Astrophysics Data System (ADS)

    Edmondson, Richard; Chenault, David

    2012-06-01

    Polaris Sensor Technologies has developed numerous 3D display systems using a US Army patented approach. These displays have been developed as prototypes for handheld controllers for robotic systems and closed hatch driving, and as part of a TALON robot upgrade for 3D vision, providing depth perception for the operator for improved manipulation and hazard avoidance. In this paper we discuss the prototype rugged 3D laptop computer and its applications to defense missions. The prototype 3D laptop combines full temporal and spatial resolution display with the rugged Amrel laptop computer. The display is viewed through protective passive polarized eyewear, and allows combined 2D and 3D content. Uses include robot tele-operation with live 3D video or synthetically rendered scenery, mission planning and rehearsal, enhanced 3D data interpretation, and simulation.

  5. Improved differential 3D shape retrieval

    NASA Astrophysics Data System (ADS)

    Liu, Tongchuan; Zhou, Canlin; Si, Shuchun; Li, Hui; Lei, Zhenkun

    2015-10-01

    Phase unwrapping is a complex step in three-dimensional (3D) surface measurement. To simplify the computation process, Martino et al. proposed a differential algorithm. However, it will result in large error when the orthogonal fringes are not in horizontal or vertical direction. To solve this problem, the relationship between projector's and camera's coordinate systems is introduced. With the data obtained from coordinate transformation, the improved differential algorithm can be used for orthogonal fringes in any direction. Besides that, taking advantage of Fourier differentiation theorem makes operation and calculation simpler. By contrast, the results of experiments show that the proposed method is applicable to the patterns with orthogonal fringes in every direction. In addition, Fourier differentiation theorem effectively increases the speed of differential process.

  6. Characterization of proteins by in-cell NMR spectroscopy in cultured mammalian cells.

    PubMed

    Barbieri, Letizia; Luchinat, Enrico; Banci, Lucia

    2016-06-01

    In-cell NMR spectroscopy is a unique tool for characterizing biological macromolecules in their physiological environment at atomic resolution. Recent progress in NMR instruments and sample preparation methods allows functional processes, such as metal uptake, disulfide-bond formation and protein folding, to be analyzed by NMR in living, cultured human cells. This protocol describes the necessary steps to overexpress one or more proteins of interest inside human embryonic kidney 293T (HEK293T) cells, and it explains how to set up in-cell NMR experiments. The cDNA is transiently transfected as a complex with a cationic polymer (DNA:PEI (polyethylenimine)), and protein expression is carried on for 2-3 d, after which the NMR sample is prepared. (1)H and (1)H-(15)N correlation NMR experiments (for example, using band-selective optimized flip-angle short-transient heteronuclear multiple quantum coherence (SOFAST-HMQC)) can be carried out in <2 h, ensuring cell viability. Uniform (15)N labeling and amino-acid-specific (e.g., cysteine, methionine) labeling schemes are possible. The entire procedure takes 4 d from cell culture seeding to NMR data collection. PMID:27196722

  7. Image based 3D city modeling : Comparative study

    NASA Astrophysics Data System (ADS)

    Singh, S. P.; Jain, K.; Mandla, V. R.

    2014-06-01

    3D city model is a digital representation of the Earth's surface and it's related objects such as building, tree, vegetation, and some manmade feature belonging to urban area. The demand of 3D city modeling is increasing rapidly for various engineering and non-engineering applications. Generally four main image based approaches were used for virtual 3D city models generation. In first approach, researchers were used Sketch based modeling, second method is Procedural grammar based modeling, third approach is Close range photogrammetry based modeling and fourth approach is mainly based on Computer Vision techniques. SketchUp, CityEngine, Photomodeler and Agisoft Photoscan are the main softwares to represent these approaches respectively. These softwares have different approaches & methods suitable for image based 3D city modeling. Literature study shows that till date, there is no complete such type of comparative study available to create complete 3D city model by using images. This paper gives a comparative assessment of these four image based 3D modeling approaches. This comparative study is mainly based on data acquisition methods, data processing techniques and output 3D model products. For this research work, study area is the campus of civil engineering department, Indian Institute of Technology, Roorkee (India). This 3D campus acts as a prototype for city. This study also explains various governing parameters, factors and work experiences. This research work also gives a brief introduction, strengths and weakness of these four image based techniques. Some personal comment is also given as what can do or what can't do from these softwares. At the last, this study shows; it concluded that, each and every software has some advantages and limitations. Choice of software depends on user requirements of 3D project. For normal visualization project, SketchUp software is a good option. For 3D documentation record, Photomodeler gives good result. For Large city

  8. Polish Experience with Advanced Digital Heritage Recording Methodology, including 3D Laser Scanning, CAD, and GIS Application, as the Most Accurate and Flexible Response for Archaeology and Conservation Needs at Jan III Sobieski's Residence in Wilanów

    NASA Astrophysics Data System (ADS)

    Baranowski, P.; Czajkowski, K.; Gładki, M.; Morysiński, T.; Szambelan, R.; Rzonca, A.

    Review of recent critical points for introduction of laser technology into the field of heritage documentation, management, conservation, and archaeology will be discussed. The relationship of benefit versus cost of 3D laser scanning technique for complex multitask heritage recording project at Wilanow is presented. Definition of basic criteria for the successful use of such heritage detailed record as laser scanning is given.

  9. 3D annotation and manipulation of medical anatomical structures

    NASA Astrophysics Data System (ADS)

    Vitanovski, Dime; Schaller, Christian; Hahn, Dieter; Daum, Volker; Hornegger, Joachim

    2009-02-01

    Although the medical scanners are rapidly moving towards a three-dimensional paradigm, the manipulation and annotation/labeling of the acquired data is still performed in a standard 2D environment. Editing and annotation of three-dimensional medical structures is currently a complex task and rather time-consuming, as it is carried out in 2D projections of the original object. A major problem in 2D annotation is the depth ambiguity, which requires 3D landmarks to be identified and localized in at least two of the cutting planes. Operating directly in a three-dimensional space enables the implicit consideration of the full 3D local context, which significantly increases accuracy and speed. A three-dimensional environment is as well more natural optimizing the user's comfort and acceptance. The 3D annotation environment requires the three-dimensional manipulation device and display. By means of two novel and advanced technologies, Wii Nintendo Controller and Philips 3D WoWvx display, we define an appropriate 3D annotation tool and a suitable 3D visualization monitor. We define non-coplanar setting of four Infrared LEDs with a known and exact position, which are tracked by the Wii and from which we compute the pose of the device by applying a standard pose estimation algorithm. The novel 3D renderer developed by Philips uses either the Z-value of a 3D volume, or it computes the depth information out of a 2D image, to provide a real 3D experience without having some special glasses. Within this paper we present a new framework for manipulation and annotation of medical landmarks directly in three-dimensional volume.

  10. Fast and precise 3D fluorophore localization by gradient fitting

    NASA Astrophysics Data System (ADS)

    Ma, Hongqiang; Xu, Jianquan; Jin, Jingyi; Gao, Ying; Lan, Li; Liu, Yang

    2016-02-01

    Astigmatism imaging is widely used to encode the 3D position of fluorophore in single-particle tracking and super-resolution localization microscopy. Here, we present a fast and precise localization algorithm based on gradient fitting to decode the 3D subpixel position of the fluorophore. This algorithm determines the center of the emitter by finding the position with the best-fit gradient direction distribution to the measured point spread function (PSF), and can retrieve the 3D subpixel position of the emitter in a single iteration. Through numerical simulation and experiments with mammalian cells, we demonstrate that our algorithm yields comparable localization precision to the traditional iterative Gaussian function fitting (GF) based method, while exhibits over two orders-of-magnitude faster execution speed. Our algorithm is a promising online reconstruction method for 3D super-resolution microscopy.

  11. Bukliball and Beyond: 3-D Soft Auxetic Metamaterials

    NASA Astrophysics Data System (ADS)

    Shim, Jongmin; Babaee, Sahab; Weaver, James C.; Patel, Nikita; Chen, Elizabeth R.; Bertoldi, Katia

    2013-03-01

    We present a new class of 3-D soft metamaterials whose microstructure can be dramatically changed in response to mechanical loading. Patterned spherical shells, the Buckliballs (PNAS 109(16):5978) which undergo undergoing a buckling-induced structural transformation under pressure, are employed as building blocks, and are assembled to construct 3-D super-structures. We present procedures to guide the selection of both the building blocks and their arrangement, and design materials with tunable 3-D auxetic behavior that exploit buckling as the actuation mechanism. The validity of the proposed material design is demonstrated through both experiments and finite element simulations. This pattern transformation induced by a mechanical instability opens the possibility for fabrication of 3-D auxetic materials/structures over a wide range of length scales.

  12. Statistical filtering for NMR based structure generation

    PubMed Central

    2011-01-01

    The constitutional assignment of natural products by NMR spectroscopy is usually based on 2D NMR experiments like COSY, HSQC, and HMBC. The difficulty of a structure elucidation problem depends more on the type of the investigated molecule than on its size. Saturated compounds can usually be assigned unambiguously by hand using only COSY and 13C-HMBC data, whereas condensed heterocycles are problematic due to their lack of protons that could show interatomic connectivities. Different computer programs were developed to aid in the structural assignment process, one of them COCON. In the case of unsaturated and substituted molecules structure generators frequently will generate a very large number of possible solutions. This article presents a "statistical filter" for the reduction of the number of results. The filter works by generating 3D conformations using smi23d, a simple MD approach. All molecules for which the generation of constitutional restraints failed were eliminated from the result set. Some structural elements removed by the statistical filter were analyzed and checked against Beilstein. The automatic removal of molecules for which no MD parameter set could be created was included into WEBCOCON. The effect of this filter varies in dependence of the NMR data set used, but in no case the correct constitution was removed from the resulting set. PMID:21835037

  13. 3-D Technology Approaches for Biological Ecologies

    NASA Astrophysics Data System (ADS)

    Liu, Liyu; Austin, Robert; U. S-China Physical-Oncology Sciences Alliance (PS-OA) Team

    Constructing three dimensional (3-D) landscapes is an inevitable issue in deep study of biological ecologies, because in whatever scales in nature, all of the ecosystems are composed by complex 3-D environments and biological behaviors. Just imagine if a 3-D technology could help complex ecosystems be built easily and mimic in vivo microenvironment realistically with flexible environmental controls, it will be a fantastic and powerful thrust to assist researchers for explorations. For years, we have been utilizing and developing different technologies for constructing 3-D micro landscapes for biophysics studies in in vitro. Here, I will review our past efforts, including probing cancer cell invasiveness with 3-D silicon based Tepuis, constructing 3-D microenvironment for cell invasion and metastasis through polydimethylsiloxane (PDMS) soft lithography, as well as explorations of optimized stenting positions for coronary bifurcation disease with 3-D wax printing and the latest home designed 3-D bio-printer. Although 3-D technologies is currently considered not mature enough for arbitrary 3-D micro-ecological models with easy design and fabrication, I hope through my talk, the audiences will be able to sense its significance and predictable breakthroughs in the near future. This work was supported by the State Key Development Program for Basic Research of China (Grant No. 2013CB837200), the National Natural Science Foundation of China (Grant No. 11474345) and the Beijing Natural Science Foundation (Grant No. 7154221).

  14. RT3D tutorials for GMS users

    SciTech Connect

    Clement, T.P.; Jones, N.L.

    1998-02-01

    RT3D (Reactive Transport in 3-Dimensions) is a computer code that solves coupled partial differential equations that describe reactive-flow and transport of multiple mobile and/or immobile species in a three dimensional saturated porous media. RT3D was developed from the single-species transport code, MT3D (DoD-1.5, 1997 version). As with MT3D, RT3D also uses the USGS groundwater flow model MODFLOW for computing spatial and temporal variations in groundwater head distribution. This report presents a set of tutorial problems that are designed to illustrate how RT3D simulations can be performed within the Department of Defense Groundwater Modeling System (GMS). GMS serves as a pre- and post-processing interface for RT3D. GMS can be used to define all the input files needed by RT3D code, and later the code can be launched from within GMS and run as a separate application. Once the RT3D simulation is completed, the solution can be imported to GMS for graphical post-processing. RT3D v1.0 supports several reaction packages that can be used for simulating different types of reactive contaminants. Each of the tutorials, described below, provides training on a different RT3D reaction package. Each reaction package has different input requirements, and the tutorials are designed to describe these differences. Furthermore, the tutorials illustrate the various options available in GMS for graphical post-processing of RT3D results. Users are strongly encouraged to complete the tutorials before attempting to use RT3D and GMS on a routine basis.

  15. 3D moviemap and a 3D panorama

    NASA Astrophysics Data System (ADS)

    Naimark, Michael

    1997-05-01

    Two immersive virtual environments produced as art installations investigate 'sense of place' in different but complimentary ways. One is a stereoscopic moviemap, the other a stereoscopic panorama. Moviemaps are interactive systems which allow 'travel' along pre-recorded routes with some control over speed and direction. Panoramas are 360 degree visual representations dating back to the late 18th century but which have recently experienced renewed interest due to 'virtual reality' systems. Moviemaps allow 'moving around' while panoramas allow 'looking around,' but to date there has been little or no attempt to produce either in stereo from camera-based material. 'See Banff stereoscopic moviemap about landscape, tourism, and growth in the Canadian Rocky Mountains. It was filmed with twin 16 mm cameras and displayed as a single-user experience housed in a cabinet resembling a century-old kinetoscope, with a crank on the side for 'moving through' the material. 'Be Now Here (Welcome to the Neighborhood)' (1995-6) is a stereoscopic panorama filmed in public gathering places around the world, based upon the UNESCO World Heritage 'In Danger' list. It was filmed with twin 35 mm motion picture cameras on a rotating tripod and displayed using a synchronized rotating floor.

  16. 3D Dynamic Echocardiography with a Digitizer

    NASA Astrophysics Data System (ADS)

    Oshiro, Osamu; Matani, Ayumu; Chihara, Kunihiro

    1998-05-01

    In this paper,a three-dimensional (3D) dynamic ultrasound (US) imaging system,where a US brightness-mode (B-mode) imagetriggered with an R-wave of electrocardiogram (ECG)was obtained with an ultrasound diagnostic deviceand the location and orientation of the US probewere simultaneously measured with a 3D digitizer, is described.The obtained B-mode imagewas then projected onto a virtual 3D spacewith the proposed interpolation algorithm using a Gaussian operator.Furthermore, a 3D image was presented on a cathode ray tube (CRT)and stored in virtual reality modeling language (VRML).We performed an experimentto reconstruct a 3D heart image in systole using this system.The experimental results indicatethat the system enables the visualization ofthe 3D and internal structure of a heart viewed from any angleand has potential for use in dynamic imaging,intraoperative ultrasono