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Sample records for 2-d core-concrete interaction

  1. OECD/MCCI 2-D Core Concrete Interaction (CCI) tests : final report February 28, 2006.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    reactor material database for dry cavity conditions is solely one-dimensional. Although the MACE Scoping Test was carried out with a two-dimensional concrete cavity, the interaction was flooded soon after ablation was initiated to investigate debris coolability. Moreover, due to the scoping nature of this test, the apparatus was minimally instrumented and therefore the results are of limited value from the code validation viewpoint. Aside from the MACE program, the COTELS test series also investigated 2-D CCI under flooded cavity conditions. However, the input power density for these tests was quite high relative to the prototypic case. Finally, the BETA test series provided valuable data on 2-D core concrete interaction under dry cavity conditions, but these tests focused on investigating the interaction of the metallic (steel) phase with concrete. Due to these limitations, there is significant uncertainty in the partition of energy dissipated for the ablation of concrete in the lateral and axial directions under dry cavity conditions for the case of a core oxide melt. Accurate knowledge of this 'power split' is important in the evaluation of the consequences of an ex-vessel severe accident; e.g., lateral erosion can undermine containment structures, while axial erosion can penetrate the basemat, leading to ground contamination and/or possible containment bypass. As a result of this uncertainty, there are still substantial differences among computer codes in the prediction of 2-D cavity erosion behavior under both wet and dry cavity conditions. In light of the above issues, the OECD-sponsored Melt Coolability and Concrete Interaction (MCCI) program was initiated at Argonne National Laboratory. The project conducted reactor materials experiments and associated analysis to achieve the following technical objectives: (1) resolve the ex-vessel debris coolability issue through a program that focused on providing both confirmatory evidence and test data for the coolability

  2. OECD 2-D Core Concrete Interaction (CCI) tests : CCI-2 test plan, Rev. 0 January 31, 2004.

    SciTech Connect

    Farmer, M. T.; Kilsdonk, D. J.; Lomperski, S.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. The first of these two tests, CCI-1, was conducted on December 19, 2003. This test investigated the interaction of a fully oxidized 400 kg PWR core melt, initially containing 8 wt % calcined siliceous concrete, with a specially designed two

  3. OECD MCCI project long-term 2-D molten core concrete interaction test design report, Rev. 0. September 30, 2002.

    SciTech Connect

    Farmer, M. T.; Kilsdonk, D. J.; Lomperski, S.; Aeschliman, R. W.; Basu, S.

    2011-05-23

    experiments to address remaining uncertainties related to long-term two-dimensional molten core-concrete interaction. In particular, for both wet and dry cavity conditions, there is uncertainty insofar as evaluating the lateral vs. axial power split during a core-concrete interaction due to a lack of experiment data. As a result, there are differences in the 2-D cavity erosion predicted by codes such as MELCOR, WECHSL, and COSACO. The first step towards generating this data is to produce a test plan for review by the Project Review Group (PRG). The purpose of this document is to provide this plan.

  4. OECD MCCI project 2-D Core Concrete Interaction (CCI) tests : CCI-3 test data report-thermalhydraulic results. Rev. 0 October 15, 2005.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of a third long-term 2-D Core-Concrete Interaction (CCI) experiment designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-3 experiment, which was conducted on September 22, 2005. Test specifications for CCI-3 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 375

  5. OECD MCCI 2-D Core Concrete Interaction (CCI) tests : CCI-2 test data report-thermalhydraulic results, Rev. 0 October 15, 2004.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Kilsdonk, D. J.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-2 experiment, which was conducted on August 24, 2004. Test specifications for CCI-2 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 400 kg

  6. OECD MMCI 2-D Core Concrete Interaction (CCI) tests : CCCI-1 test data report-thermalhydraulic results. Rev 0 January 31, 2004.

    SciTech Connect

    Farmer, M. T.; Lomperski, S.; Aeschlimann, R. W.; Basu, S.

    2011-05-23

    The Melt Attack and Coolability Experiments (MACE) program addressed the issue of the ability of water to cool and thermally stabilize a molten core-concrete interaction when the reactants are flooded from above. These tests provided data regarding the nature of corium interactions with concrete, the heat transfer rates from the melt to the overlying water pool, and the role of noncondensable gases in the mixing processes that contribute to melt quenching. As a follow-on program to MACE, The Melt Coolability and Concrete Interaction Experiments (MCCI) project is conducting reactor material experiments and associated analysis to achieve the following objectives: (1) resolve the ex-vessel debris coolability issue through a program that focuses on providing both confirmatory evidence and test data for the coolability mechanisms identified in MACE integral effects tests, and (2) address remaining uncertainties related to long-term two-dimensional molten coreconcrete interactions under both wet and dry cavity conditions. Achievement of these two program objectives will demonstrate the efficacy of severe accident management guidelines for existing plants, and provide the technical basis for better containment designs for future plants. In terms of satisfying these objectives, the Management Board (MB) approved the conduct of two long-term 2-D Core-Concrete Interaction (CCI) experiments designed to provide information in several areas, including: (i) lateral vs. axial power split during dry core-concrete interaction, (ii) integral debris coolability data following late phase flooding, and (iii) data regarding the nature and extent of the cooling transient following breach of the crust formed at the melt-water interface. This data report provides thermal hydraulic test results from the CCI-1 experiment, which was conducted on December 19, 2003. Test specifications for CCI-1 are provided in Table 1-1. This experiment investigated the interaction of a fully oxidized 400 kg

  7. Key findings and remaining questions in the areas of core-concrete interaction and debris coolability

    DOE PAGES

    Farmer, M. T.; Gerardi, C.; Bremer, N.; ...

    2016-10-31

    The reactor accidents at Fukushima-Dai-ichi have rekindled interest in late phase severe accident behavior involving reactor pressure vessel breach and discharge of molten core melt into the containment. Two technical issues of interest in this area include core-concrete interaction and the extent to which the core debris may be quenched and rendered coolable by top flooding. The OECD-sponsored Melt Coolability and Concrete Interaction (MCCI) programs at Argonne National Laboratory included the conduct of large scale reactor material experiments and associated analysis with the objectives of resolving the ex-vessel debris coolability issue, and to address remaining uncertainties related to long-term two-dimensionalmore » molten core-concrete interactions under both wet and dry cavity conditions. These tests provided a broad database to support accident management planning, as well as the development and validation of models and codes that can be used to extrapolate the experiment results to plant conditions. This paper provides a high level overview of the key experiment results obtained during the program. Finally, a discussion is also provided that describes technical gaps that remain in this area, several of which have arisen based on the sequence of events and operator actions during Fukushima.« less

  8. Key findings and remaining questions in the areas of core-concrete interaction and debris coolability

    SciTech Connect

    Farmer, M. T.; Gerardi, C.; Bremer, N.; Basu, S.

    2016-10-31

    The reactor accidents at Fukushima-Dai-ichi have rekindled interest in late phase severe accident behavior involving reactor pressure vessel breach and discharge of molten core melt into the containment. Two technical issues of interest in this area include core-concrete interaction and the extent to which the core debris may be quenched and rendered coolable by top flooding. The OECD-sponsored Melt Coolability and Concrete Interaction (MCCI) programs at Argonne National Laboratory included the conduct of large scale reactor material experiments and associated analysis with the objectives of resolving the ex-vessel debris coolability issue, and to address remaining uncertainties related to long-term two-dimensional molten core-concrete interactions under both wet and dry cavity conditions. These tests provided a broad database to support accident management planning, as well as the development and validation of models and codes that can be used to extrapolate the experiment results to plant conditions. This paper provides a high level overview of the key experiment results obtained during the program. Finally, a discussion is also provided that describes technical gaps that remain in this area, several of which have arisen based on the sequence of events and operator actions during Fukushima.

  9. CORCON-MOD3: An integrated computer model for analysis of molten core-concrete interactions. User`s manual

    SciTech Connect

    Bradley, D.R.; Gardner, D.R.; Brockmann, J.E.; Griffith, R.O.

    1993-10-01

    The CORCON-Mod3 computer code was developed to mechanistically model the important core-concrete interaction phenomena, including those phenomena relevant to the assessment of containment failure and radionuclide release. The code can be applied to a wide range of severe accident scenarios and reactor plants. The code represents the current state of the art for simulating core debris interactions with concrete. This document comprises the user`s manual and gives a brief description of the models and the assumptions and limitations in the code. Also discussed are the input parameters and the code output. Two sample problems are also given.

  10. Scoping assessments of ATF impact on late-stage accident progression including molten core-concrete interaction

    NASA Astrophysics Data System (ADS)

    Farmer, M. T.; Leibowitz, L.; Terrani, K. A.; Robb, K. R.

    2014-05-01

    Simple scoping models that can be used to evaluate ATF performance under severe accident conditions have been developed. The methodology provides a fundamental technical basis (a.k.a. metric) based on the thermodynamic boundary for evaluating performance relative to that of traditional Zr-based claddings. The initial focus in this study was on UO2 fuel with the advanced claddings 310 SS, D9, FeCrAl, and SiC. The evaluation considered only energy release with concurrent combustible gas production from fuel-cladding-coolant interactions and, separately, molten core-concrete interactions at high temperatures. Other important phenomenological effects that can influence the rate and extent of cladding decomposition (e.g., eutectic interactions, degradation of other core constituents) were not addressed. For the cladding types addressed, potential combustible gas production under both in-vessel and ex-vessel conditions was similar to that for Zr. However, exothermic energy release from cladding oxidation was substantially less for iron-based alloys (by at least a factor of 4), and modestly less (by ∼20%) for SiC. Data on SiC-clad UO2 fuel performance under severe accident conditions are sparse in the literature; thus, assumptions on the nature of the cladding decomposition process were made in order to perform this initial screening evaluation. Experimental data for this system under severe accident conditions is needed for a proper evaluation and comparison to iron-based claddings.

  11. Core-concrete interactions using molten UO sub 2 with zirconium on a basaltic basemat: The SURC-2 experiment

    SciTech Connect

    Copus, E.R.; Brockmann, J.E.; Simpson, R.B.; Lucero, D.A. ); Blose, R.E. )

    1992-08-01

    An inductively heated experiment, SURC-2, using prototypic U0{sub 2}-ZrO{sub 2} materials was executed as part of the Integral Core-Concrete Interactions Experiments Program. The purpose of this experimental program was to measure and assess the variety of source terms produced during core debris/concrete interactions. These source terms include thermal energy released to both the reactor basemat and the containment environment, as well as flammable gas, condensable vapor and toxic or radioactive aerosols generated during the course of a severe reactor accident. The SURC-2 experiment eroded a total of 35 cm of basaltic concrete during 160 minutes of sustained interaction using 203.9 kg of prototypic U0{sub 2}-ZrO{sub 2} core debris material that included 18 kg of Zr metal and 3.4 kg of fission product simulants. The meltpool temperature ranged from 2400--1900{degrees}C during the first 50 minutes of the test followed by steady temperatures of 1750--1800{degrees}C during the middle portion of the test and increased temperatures of 1800--1900{degrees}C during the final 50 minutes of testing. The total erosion during the first 50 minutes was 15 cm with an additional 7 cm during the middle part of the test and 13 cm of ablation during the final 50 minutes. Comprehensive gas flowrates, gas compositions, and aerosol release rates were also measured during the SURC-2 test. When combined with the SURC-1 results, SURC-2 forms a complete data base for prototypic U0{sub 2}-ZrO{sub 2} core debris interactions with concrete.

  12. Experimental results of core-concrete interactions using molten steel with zirconium

    SciTech Connect

    Copus, E.R.; Blose, R.E.; Brockmann, J.E.; Gomez, R.D.; Lucero, D.A. )

    1990-07-01

    Four inductively sustained experiments, QT-D, QT-E, SURC-3, and SURC-3A, were performed in order to investigate the additional effects of zirconium metal oxidation on core debris-concrete interactions using molten stainless steel as the core debris simulant. The QT-D experiment ablated 18 cm of concrete axially during 50 minutes of interaction on limestone-common sand concrete using a 10 kg charge of 304 stainless steel to which 2 kg of zirconium metal was added subsequent to the onset of erosion. The QT-E experiment ablated 10 cm of limestone-common sand concrete axially and 10 cm radially during 35 minutes of sustained interaction using 50 kg of stainless steel and 10 kg of zirconium. The SURC-3 experiment had a 45 kg charge of stainless steel to which 1.1 kg of zirconium was subsequently added. SURC-3 axially eroded 33 cm of limestone concrete during two hours of interaction. The fourth experiment, SURC-3A, eroded 25 cm of limestone concrete axially and 9 cm radially during 90 minutes of sustained interaction. It utilized 40 kg of stainless steel and 2.2 kg of added zirconium as the charge material. All four experiments showed in a large increase in erosion rate, gas production, and aerosol release following the addition of Zr metal to the melt. In the SURC-3 and SURC-3A tests the measured erosion rates increased from 14 cm/hr to 27 cm/hr, gas release increased from 50 slpm to 100 slpm, and aerosol release increased from .02 q/sec to .04 q/sec. The effluent gas was composed of 80% CO, 10% CO{sub 2}, and 2% H{sub 2} before Zr addition and 92% CO, 4% CO{sub 2}, 4% H{sub 2} during the Zr interactions which lasted 10--20 minutes. Addition measurements indicated that the melt pool temperature ranged from 1600{degree}C--1800{degree} and that the aerosols produced were comprised primarily of Te and Fe oxides. 21 refs., 120 figs., 51 tabs.

  13. Core-concrete interactions using molten urania with zirconium on a limestone concrete basemat

    SciTech Connect

    Copus, E.R.; Brockmann, J.E.; Simpson, R.B.; Lucero, D.A. ); Blose, R.E. )

    1992-09-01

    An inductively heated experiment SURC-1, using UO[sub 2]-ZrO[sub 2] material, was executed to measure and assess the thermal, gas, and aerosol source terms produced during core debris/concrete interactions. The SURC-1 experiment eroded a total of 27 cm of limestone concrete during 130 minutes of sustained interaction using 204.2 kg of molten prototypic UO[sub 2]-ZrO[sub 2] core debris material that included 18 kg of zr metal and 3.4 kg of fission product simulants. The melt pool temperature ranged from 2100 to 2400[degrees]C during the first 50 minutes of the test, followed by steady temperatures of 2000 to 2100[degrees]C during the middle portion of the test and temperatures of 1800 to 2000[degrees]C during the final 50 minutes of testing. The total erosion during the first 50 minutes was 16 cm with an additional 2 cm during the middle part of the test and 9 cm of ablation during the final 50 minutes. Aerosols were continuously released in concentrations ranging from 30 to 200 g/m[sup 3]. Comprehensive gas flow rates, gas compositions, and aerosol compositions were also measured during the SURC-1 test.

  14. Core-concrete interactions with overlying water pools. The WETCOR-1 test

    SciTech Connect

    Blose, R.E.; Powers, D.A.; Copus, E.R.; Brockmann, J.E.; Simpson, R.B.; Lucero, D.A.

    1993-11-01

    The WETCOR-1 test of simultaneous interactions of a high-temperature melt with water and a limestone/common-sand concrete is described. The test used a 34.1-kg melt of 76.8 w/o Al{sub 2}O{sub 3}, 16.9 w/o CaO, and 4.0 w/o SiO{sub 2} heated by induction using tungsten susceptors. Once quasi-steady attack on concrete by the melt was established, an attempt was made to quench the melt at 1850 K with 295 K water flowing at 57 liters per minute. Net power into the melt at the time of water addition was 0.61 {plus_minus} 0.19 W/cm{sup 3}. The test configuration used in the WETCOR-1 test was designed to delay melt freezing to the walls of the test fixture. This was done to test hypotheses concerning the inherent stability of crust formation when high-temperature melts are exposed to water. No instability in crust formation was observed. The flux of heat through the crust to the water pool maintained over the melt in the test was found to be 0.52 {plus_minus} 0.13 MW/m{sup 2}. Solidified crusts were found to attenuate aerosol emissions during the melt concrete interactions by factors of 1.3 to 3.5. The combination of a solidified crust and a 30-cm deep subcooled water pool was found to attenuate aerosol emissions by factors of 3 to 15.

  15. Fukushima Daiichi Unit 1 Ex-Vessel Prediction: Core Concrete Interaction

    SciTech Connect

    Robb, Kevin R; Farmer, Mitchell; Francis, Matthew W

    2015-01-01

    Lower head failure and corium concrete interaction were predicted to occur at Fukushima Daiichi Unit 1 (1F1) by several different system-level code analyses, including MELCOR v2.1 and MAAP5. Although these codes capture a wide range of accident phenomena, they do not contain detailed models for ex-vessel core melt behavior. However, specialized codes exist for analysis of ex-vessel melt spreading (e.g., MELTSPREAD) and long-term debris coolability (e.g., CORQUENCH). On this basis, an analysis was carried out to further evaluate ex-vessel behavior for 1F1 using MELTSPREAD and CORQUENCH. Best-estimate melt pour conditions predicted by MELCOR v2.1 and MAAP5 were used as input. MELTSPREAD was then used to predict the spatially dependent melt conditions and extent of spreading during relocation from the vessel. The results of the MELTSPREAD analysis are reported in a companion paper. This information was used as input for the long-term debris coolability analysis with CORQUENCH.

  16. Fukushima Daiichi Unit 1 Ex-Vessel Prediction: Core-Concrete Interaction

    DOE PAGES

    Robb, Kevin R.; Farmer, Mitchell T.; Francis, Matthew W.

    2016-10-31

    Lower head failure and corium-concrete interaction were predicted to occur at Fukushima Daiichi Unit 1 (1F1) by several different system-level code analyses, including MELCOR v2.1 and MAAP5. Although these codes capture a wide range of accident phenomena, they do not contain detailed models for ex-vessel core melt behavior. However, specialized codes exist for the analysis of ex-vessel melt spreading (e.g., MELTSPREAD) and long-term debris coolability (e.g., CORQUENCH). On this basis, in this paper an analysis was carried out to further evaluate ex-vessel behavior for 1F1 using MELTSPREAD and CORQUENCH. Best-estimate melt pour conditions predicted by MELCOR v2.1 and MAAP5 weremore » used as input. MELTSPREAD was then used to predict the spatially dependent melt conditions and extent of spreading during relocation from the vessel. The results of the MELTSPREAD analysis are reported in a companion paper. This information was used as input for the long-term debris coolability analysis with CORQUENCH. For the MELCOR-based melt pour scenario, CORQUENCH predicted the melt would readily cool within 2.5 h after the pour, and the sumps would experience limited ablation (approximately 18 cm) under water-flooded conditions. Finally, for the MAAP-based melt pour scenarios, CORQUENCH predicted that the melt would cool in approximately 22.5 h, and the sumps would experience approximately 65 cm of concrete ablation under water-flooded conditions.« less

  17. Fukushima Daiichi Unit 1 Ex-Vessel Prediction: Core-Concrete Interaction

    SciTech Connect

    Robb, Kevin R.; Farmer, Mitchell T.; Francis, Matthew W.

    2016-10-31

    Lower head failure and corium-concrete interaction were predicted to occur at Fukushima Daiichi Unit 1 (1F1) by several different system-level code analyses, including MELCOR v2.1 and MAAP5. Although these codes capture a wide range of accident phenomena, they do not contain detailed models for ex-vessel core melt behavior. However, specialized codes exist for the analysis of ex-vessel melt spreading (e.g., MELTSPREAD) and long-term debris coolability (e.g., CORQUENCH). On this basis, in this paper an analysis was carried out to further evaluate ex-vessel behavior for 1F1 using MELTSPREAD and CORQUENCH. Best-estimate melt pour conditions predicted by MELCOR v2.1 and MAAP5 were used as input. MELTSPREAD was then used to predict the spatially dependent melt conditions and extent of spreading during relocation from the vessel. The results of the MELTSPREAD analysis are reported in a companion paper. This information was used as input for the long-term debris coolability analysis with CORQUENCH. For the MELCOR-based melt pour scenario, CORQUENCH predicted the melt would readily cool within 2.5 h after the pour, and the sumps would experience limited ablation (approximately 18 cm) under water-flooded conditions. Finally, for the MAAP-based melt pour scenarios, CORQUENCH predicted that the melt would cool in approximately 22.5 h, and the sumps would experience approximately 65 cm of concrete ablation under water-flooded conditions.

  18. 2D depiction of nonbonding interactions for protein complexes.

    PubMed

    Zhou, Peng; Tian, Feifei; Shang, Zhicai

    2009-04-30

    A program called the 2D-GraLab is described for automatically generating schematic representation of nonbonding interactions across the protein binding interfaces. The input file of this program takes the standard PDB format, and the outputs are two-dimensional PostScript diagrams giving intuitive and informative description of the protein-protein interactions and their energetics properties, including hydrogen bond, salt bridge, van der Waals interaction, hydrophobic contact, pi-pi stacking, disulfide bond, desolvation effect, and loss of conformational entropy. To ensure these interaction information are determined accurately and reliably, methods and standalone programs employed in the 2D-GraLab are all widely used in the chemistry and biology community. The generated diagrams allow intuitive visualization of the interaction mode and binding specificity between two subunits in protein complexes, and by providing information on nonbonding energetics and geometric characteristics, the program offers the possibility of comparing different protein binding profiles in a detailed, objective, and quantitative manner. We expect that this 2D molecular graphics tool could be useful for the experimentalists and theoreticians interested in protein structure and protein engineering.

  19. FASTWO - A 2-D interactive algebraic grid generator

    NASA Technical Reports Server (NTRS)

    Luh, Raymond Ching-Chung; Lombard, C. K.

    1988-01-01

    This paper presents a very simple and effective computational procedure, FASTWO, for generating patched composite finite difference grids in 2-D for any geometry. Major components of the interactive graphics based method that is closely akin to and borrows many tools from transfinite interpolation are highlighted. Several grids produced by FASTWO are shown to illustrate its powerful capability. Comments about extending the methodology to 3-D are also given.

  20. Interactive initialization of 2D/3D rigid registration

    SciTech Connect

    Gong, Ren Hui; Güler, Özgür; Kürklüoglu, Mustafa; Lovejoy, John; Yaniv, Ziv

    2013-12-15

    Purpose: Registration is one of the key technical components in an image-guided navigation system. A large number of 2D/3D registration algorithms have been previously proposed, but have not been able to transition into clinical practice. The authors identify the primary reason for the lack of adoption with the prerequisite for a sufficiently accurate initial transformation, mean target registration error of about 10 mm or less. In this paper, the authors present two interactive initialization approaches that provide the desired accuracy for x-ray/MR and x-ray/CT registration in the operating room setting. Methods: The authors have developed two interactive registration methods based on visual alignment of a preoperative image, MR, or CT to intraoperative x-rays. In the first approach, the operator uses a gesture based interface to align a volume rendering of the preoperative image to multiple x-rays. The second approach uses a tracked tool available as part of a navigation system. Preoperatively, a virtual replica of the tool is positioned next to the anatomical structures visible in the volumetric data. Intraoperatively, the physical tool is positioned in a similar manner and subsequently used to align a volume rendering to the x-ray images using an augmented reality (AR) approach. Both methods were assessed using three publicly available reference data sets for 2D/3D registration evaluation. Results: In the authors' experiments, the authors show that for x-ray/MR registration, the gesture based method resulted in a mean target registration error (mTRE) of 9.3 ± 5.0 mm with an average interaction time of 146.3 ± 73.0 s, and the AR-based method had mTREs of 7.2 ± 3.2 mm with interaction times of 44 ± 32 s. For x-ray/CT registration, the gesture based method resulted in a mTRE of 7.4 ± 5.0 mm with an average interaction time of 132.1 ± 66.4 s, and the AR-based method had mTREs of 8.3 ± 5.0 mm with interaction times of 58 ± 52 s. Conclusions: Based on the

  1. Interactive 2D to 3D stereoscopic image synthesis

    NASA Astrophysics Data System (ADS)

    Feldman, Mark H.; Lipton, Lenny

    2005-03-01

    Advances in stereoscopic display technologies, graphic card devices, and digital imaging algorithms have opened up new possibilities in synthesizing stereoscopic images. The power of today"s DirectX/OpenGL optimized graphics cards together with adapting new and creative imaging tools found in software products such as Adobe Photoshop, provide a powerful environment for converting planar drawings and photographs into stereoscopic images. The basis for such a creative process is the focus of this paper. This article presents a novel technique, which uses advanced imaging features and custom Windows-based software that utilizes the Direct X 9 API to provide the user with an interactive stereo image synthesizer. By creating an accurate and interactive world scene with moveable and flexible depth map altered textured surfaces, perspective stereoscopic cameras with both visible frustums and zero parallax planes, a user can precisely model a virtual three-dimensional representation of a real-world scene. Current versions of Adobe Photoshop provide a creative user with a rich assortment of tools needed to highlight elements of a 2D image, simulate hidden areas, and creatively shape them for a 3D scene representation. The technique described has been implemented as a Photoshop plug-in and thus allows for a seamless transition of these 2D image elements into 3D surfaces, which are subsequently rendered to create stereoscopic views.

  2. Interaction mechanism of biomolecules on vacancy defected 2D materials

    NASA Astrophysics Data System (ADS)

    Gürel, Hikmet Hakan; Salmankurt, Bahadır

    2017-02-01

    In this work, we present a first principles study of the adsorption of Adenine which is a nucleobases, Histide and Leucine molecules, which are the amino acids, on vacancy defected single layer materials such as graphene and phosphorene. Among these materials, graphene, which is a single layer honeycomb structure of carbon. Also, phosphorene is recently synthesized by mechanical exfoliation of the black phosphorus. Phosphorene forming a puckered honeycomb structure similar to silicene. However, unlike zero-bandgap graphene and silicene, phosphorene is a direct band gap semiconductor, which makes it very attractive for the nanoelectronic devices. According to the studies, local defects can always exist at any temperature. The most probable defect type is the single vacancy in the single layer honeycomb structures. Vacancy defects can be emerged during growth process and they change the properties of materials significantly. In this study, we show that how to manipulate interaction and binding mechanisms of biomolecules with 2D materials with increased chemical activity by vacancy defects.

  3. 2D DEM model of sand transport with wind interaction

    NASA Astrophysics Data System (ADS)

    Oger, L.; Valance, A.

    2013-06-01

    The advance of the dunes in the desert is a threat to the life of the local people. The dunes invade houses, agricultural land and perturb the circulation on the roads. It is therefore very important to understand the mechanism of sand transport in order to fight against desertification. Saltation in which sand grains are propelled by the wind along the surface in short hops, is the primary mode of blown sand movement [1]. The saltating grains are very energetic and when impact a sand surface, they rebound and consequently eject other particles from the sand bed. The ejected grains, called reptating grains, contribute to the augmentation of the sand flux. Some of them can be promoted to the saltation motion. We use a mechanical model based on the Discrete Element Method to study successive collisions of incident energetic beads with granular packing in the context of Aeolian saltation transport. We investigate the collision process for the case where the incident bead and those from the packing have identical mechanical properties. We analyze the features of the consecutive collision processes made by the transport of the saltating disks by a wind in which its profile is obtained from the counter-interaction between air flow and grain flows. We used a molecular dynamics method known as DEM (soft Discrete Element Method) with a initial static packing of 20000 2D particles. The dilation of the upper surface due to the consecutive collisions is responsible for maintaining the flow at a given energy input due to the wind.

  4. Thermodynamic evaluation of the solidification phase of molten core-concrete under estimated Fukushima Daiichi nuclear power plant accident conditions

    NASA Astrophysics Data System (ADS)

    Kitagaki, Toru; Yano, Kimihiko; Ogino, Hideki; Washiya, Tadahiro

    2017-04-01

    The solidification phases of molten core-concrete under the estimated molten core-concrete interaction (MCCI) conditions in the Fukushima Daiichi Nuclear Power Plant Unit 1 were predicted using the thermodynamic equilibrium calculation tool, FactSage 6.2, and the NUCLEA database in order to contribute toward the 1F decommissioning work and to understand the accident progression via the analytical results for the 1F MCCI products. We showed that most of the U and Zr in the molten core-concrete forms (U,Zr)O2 and (Zr,U)SiO4, and the formation of other phases with these elements is limited. However, the formation of (Zr,U)SiO4 requires a relatively long time because it involves a change in the crystal structure from fcc-(U,Zr)O2 to tet-(U,Zr)O2, followed by the formation of (Zr,U)SiO4 by reaction with SiO2. Therefore, the formation of (Zr,U)SiO4 is limited under quenching conditions. Other common phases are the oxide phases, CaAl2Si2O8, SiO2, and CaSiO3, and the metallic phases of the Fe-Si and Fe-Ni alloys. The solidification phenomenon of the crust under quenching conditions and that of the molten pool under thermodynamic equilibrium conditions in the 1F MCCI progression are discussed.

  5. The jet impingement phase of molten core-concrete interactions

    SciTech Connect

    Sienicki, J.J.; Spencer, B.W.

    1986-01-01

    Scoping calculations have been carried out demonstrating that a significant and abrupt reduction in the corium temperature may be realized when molten corium drains as a jet from a localized breach in the RPV lower head to impinge upon the concrete basemat. The temperature decrease may range from a value of approx.170 K (approx.140 K) for limestone (basaltic) aggregate concrete to a value approaching the initial corium superheat depending upon whether the forced convection impingement heat flux is assumed to be controlled by either thermal conduction across a slag film layer or the temperature boundary condition represented by a corium crust. The magnitude of the temperature reduction remains significant as the initial corium temperature, impinging corium mass, and initial localized breach size are varied over their range of potential values.

  6. The Effect of CYP2D6 Drug-Drug Interactions on Hydrocodone Effectiveness

    PubMed Central

    Monte, Andrew A.; Heard, Kennon J.; Campbell, Jenny; Hamamura, D.; Weinshilboum, Richard M.; Vasiliou, Vasilis

    2014-01-01

    Objectives The hepatic cytochrome 2D6 (CYP2D6) is a saturable enzyme responsible for metabolism of approximately 25% of known pharmaceuticals. CYP interactions can alter the efficacy of prescribed medications. Hydrocodone is largely dependent on CYP2D6 metabolism for analgesia, ondansetron is inactivated by CYP2D6, and oxycodone analgesia is largely independent of CYP2D6. The objective was to determine if CYP2D6 medication co-ingestion decreases the effectiveness of hydrocodone. Methods This was a prospective observational study conducted in an academic U.S. emergency department (ED). Subjects were included if they had self-reported pain or nausea; and were excluded if they were unable to speak English, were less than 18 years of age, had liver or renal failure, or carried diagnoses of chronic pain or cyclic vomiting. Detailed drug ingestion histories for the preceding 48 hours prior to the ED visit were obtained. The patient's pain and nausea were quantified using a 100-millimeter visual analogue scale (VAS) at baseline prior to drug administration and following doses of hydrocodone, oxycodone, or ondansetron. We used a mixed model with random subject effect to determine the interaction between CYP2D6 drug ingestion and study drug effectiveness. Odds ratios (OR) were calculated to compare clinically significant VAS changes between CYP2D6 users and non-users. Results Two hundred fifty (49.8%) of the 502 subjects enrolled had taken at least one CYP2D6 substrate, inhibitor, or inducing pharmaceutical, supplement, or illicit drug in the 48 hours prior to ED presentation. CYP2D6-drug users were one third as likely to respond to hydrocodone (OR 0.33, 95% CI = 0.1 to 0.8), and more than three times as likely as non-users to respond to ondansetron (OR 3.4, 95% CI = 1.3 to 9.1). There was no significant difference in oxycodone effectiveness between CYP2D6 users and non-users (OR 0.53, 95% CI = 0.3 to 1.1). Conclusions CYP2D6 drug-drug interactions appear to change

  7. Probing interband coulomb interactions in semiconductor nanostructures with 2D double-quantum coherence spectroscopy.

    PubMed

    Velizhanin, Kirill A; Piryatinski, Andrei

    2011-05-12

    Employing the interband exciton scattering model, we have derived a closed set of equations determining the 2D double-quantum coherence signal sensitive to the interband Coulomb interactions (i.e., many-body Coulomb interactions leading to the couplings between exciton and biexciton bands) in semiconductor nanostructures such as nanocrystals, quantum wires, wells, and carbon nanotubes. Our general analysis of 2D double-quantum coherence resonances has demonstrated that the interband Coulomb interactions lead to new cross-peaks whose appearance can be interpreted as a result of exciton and biexciton state mixing. The presence of the strongly coupled resonant states and weakly coupled background of off-resonant states can significantly simplify cross-peak analysis by eliminating the congested background spectrum. Our simulations of the 2D double-quantum coherence signal in PbSe NCs have validated this approach.

  8. Immune Activation Resulting from NKG2D/Ligand Interaction Promotes Atherosclerosis

    PubMed Central

    Xia, Mingcan; Guerra, Nadia; Sukhova, Galina K.; Yang, Kangkang; Miller, Carla K.; Shi, Guo-Ping; Raulet, David H.; Xiong, Na

    2012-01-01

    Background The interplay between the immune system and abnormal metabolic conditions sustains and propagates a vicious feedback cycle of chronic inflammation and metabolic dysfunction that is critical for atherosclerotic progression. It is well established that abnormal metabolic conditions, such as dyslipidemia and hyperglycemia, cause various cellular stress responses that induce tissue inflammation and immune cell activation, which in turn exacerbate the metabolic dysfunction. However, molecular events linking these processes are not well understood. Methods and Results Tissues and organs of humans and mice with hyperglycemia and hyperlipidemia were examined for expression of ligands for NKG2D, a potent immune activating receptor expressed by several types of immune cells, and the role of NKG2D in atherosclerosis and metabolic diseases was probed using mice lacking NKG2D or by blocking NKG2D with monoclonal antibodies. NKG2D ligands were upregulated in multiple organs, particularly atherosclerotic aortae and inflamed livers. Ligand upregulation was induced in vitro by abnormal metabolites associated with metabolic dysfunctions. Using ApoE-/- mouse models we demonstrated that preventing NKG2D functions resulted in a dramatic reduction in plaque formation, suppressed systemic and organ inflammation mediated by multiple immune cell types, and alleviated abnormal metabolic conditions. Conclusions The NKG2D/ligand interaction is a critical molecular link in the vicious cycle of chronic inflammation and metabolic dysfunction that promotes atherosclerosis and might be a useful target for therapeutic intervention in the disease. PMID:22104546

  9. Disorder and interaction in 2D: exact diagonalization study of the Anderson-Hubbard-Mott model.

    PubMed

    Kotlyar, R; Das Sarma, S

    2001-03-12

    We investigate, by numerically calculating the charge stiffness, the effects of random diagonal disorder and electron-electron interaction on the nature of the ground state in the 2D Hubbard model through the finite-size exact diagonalization technique. By comparing with the corresponding 1D Hubbard model results and by using heuristic arguments we conclude that it is unlikely that there is a 2D metal-insulator quantum phase transition, although the effect of interaction in some range of parameters is to substantially enhance the noninteracting charge stiffness.

  10. Long ranged interactions in computer simulations and for quasi-2D systems

    NASA Astrophysics Data System (ADS)

    Mazars, Martial

    2011-03-01

    Taking correctly into account long ranged interactions in molecular simulations of molecular models based on classical atomistic representations are essential to obtain reliable results on model systems and in simulations of biological systems. A lot of numerical methods have been developed to this end; the most important of them are reviewed in this paper. Particular attention is paid to the analytical relations between the methods, this allows comparisons on efficiency and accuracy between them and also to proceed to precise implementations of these techniques. While most of the methods have been developed for Coulomb interactions, we give also some analytical details to apply these methods to screened Coulomb (Yukawa interactions), inverse power law and dipolar interactions. Particular types of systems, the quasi-2D systems, are also considered in this paper. Quasi-2D systems represent a large class of physical systems where the spatial extension in one direction of the space is very small by comparison to the other two. These representations are very useful to describe the properties of interfaces, surfaces, fluids confined in slab geometry, etc. In computer simulations, these systems are studied with partial periodic boundary conditions: periodic boundary conditions are taken in directions where spatial extensions are large and some other boundary conditions are taken in directions with smaller extensions. In this review, we describe also the numerical methods developed to handle long ranged interactions in numerical simulations of quasi-2D systems. The properties of quasi-2D systems depend strongly on interactions between components; more specifically electrostatic and magnetic interactions and interactions with external fields are of particular interest in these systems.

  11. Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties

    SciTech Connect

    Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.

    2015-10-15

    This contribution discusses the intercalation of imidazole and its 2-ethyl derivative, and pyridine in 2D copper nitroprusside. In the interlayer region, neighboring molecules remain interacting throu gh their dipole and quadrupole moments, which supports the solid 3D crystal structure. The crystal structure of this series of intercalation compounds was solved and refined from powder X-ray diffraction patterns complemented with spectroscopic information. The intermolecular interactions were studied from the refined crystal structures and low temperature magnetic measurements. Due to strong attractive forces between neighboring molecules, the resulting π–π cloud overlapping enables the ferromagnetic coupling between metal centers on neighboring layers, which was actually observed for the solids containing imidazole and pyridine as intercalated molecules. For these two solids, the magnetic data were properly described with a model of six neighbors. For the solid containing 2-ethylimidazole and for 2D copper nitroprusside, a model of four neighbors in a plane is sufficient to obtain a reliable data fitting. - Highlights: • Intercalation of organic molecules in 2D copper (II) nitroprusside. • Molecular properties of intercalation compounds of 2D copper (II) nitroprusside. • Magnetic properties of hybrid inorganic–organic solids. • Hybrid inorganic–organic 3D framework.

  12. Interaction of water molecules with hexagonal 2D systems. A DFT study

    NASA Astrophysics Data System (ADS)

    Rojas, Ángela; Rey, Rafael

    Over the years water sources have been contaminated with many chemical agents, becoming issues that affect health of the world population. The advances of the nanoscience and nanotechnology in the development new materials constitute an alternative for design molecular filters with great efficiencies and low cost for water treatment and purification. In the nanoscale, the process of filtration or separation of inorganic and organic pollutants from water requires to study interactions of these atoms or molecules with different nano-materials. Specifically, it is necessary to understand the role of these interactions in physical and chemical properties of the nano-materials. In this work, the main interest is to do a theoretical study of interaction between water molecules and 2D graphene-like systems, such as silicene (h-Si) or germanene (h-Ge). Using Density Functional Theory we calculate total energy curves as function of separation between of water molecules and 2D systems. Different spatial configurations of water molecules relative to 2D systems are considered. Structural relaxation effects and changes of electronic charge density also are reported. Universidad Nacional de Colombia.

  13. Lipid-gramicidin interactions: dynamic structure of the boundary lipid by 2D-ELDOR.

    PubMed

    Costa-Filho, Antonio J; Crepeau, Richard H; Borbat, Petr P; Ge, Mingtao; Freed, Jack H

    2003-05-01

    The use of 2D-electron-electron double resonance (2D-ELDOR) for the characterization of the boundary lipid in membrane vesicles of DPPC and gramicidin A' (GA) is reported. We show that 2D-ELDOR, with its enhanced spectral resolution to dynamic structure as compared with continuous-wave electron spin resonance, provides a reliable and useful way of studying lipid-protein interactions. The 2D-ELDOR spectra of the end-chain spin label 16-PC in DPPC/GA vesicles is composed of two components, which are assigned to the bulk lipids (with sharp auto peaks and crosspeaks) and to the boundary lipids (with broad auto peaks). Their distinction is clearest for higher temperatures and higher GA concentrations. The quantitative analysis of these spectra shows relatively faster motions and very low ordering for the end chain of the bulk lipids, whereas the boundary lipids show very high "y-ordering" and slower motions. The y-ordering represents a dynamic bending at the end of the boundary lipid acyl chain, which can then coat the GA molecules. These results are consistent with the previous studies by Ge and Freed (1999) using continuous-wave electron spin resonance, thereby supporting their model for GA aggregation and H(II) phase formation for high GA concentrations. Improved instrumental and simulation methods have been employed.

  14. Interactive Region Matching for 2D Animation Coloring Based on Feature's Variation

    NASA Astrophysics Data System (ADS)

    Garcia Trigo, Pablo; Johan, Henry; Imagire, Takashi; Nishita, Tomoyuki

    We propose an interactive method for assisting the coloring process of 2D hand-drawn animated cartoons. It segments input frames (each hand-drawn drawing of the cartoon) into regions (areas surrounded by closed lines. E.g. the head, the hands) extracts their features, and then matches the regions between frames, allowing the user to fix coloring mistakes interactively. Its main contribution consists in storing matched regions in lists called “chains” for tracking how the region features vary along the animation. Consequently, the matching rate is improved and the matching mistakes are reduced, thus reducing the total effort needed until having a correctly colored cartoon.

  15. Simulations of two-particle interactions with 2D quantum walks in time

    SciTech Connect

    Schreiber, A.; Laiho, K.; Silberhorn, C.; Rohde, P. P.; Štefaňak, M.; Potoček, V.; Hamilton, C.; Jex, I.

    2014-12-04

    We present the experimental implementation of a quantum walk on a two-dimensional lattice and show how to employ the optical system to simulate the quantum propagation of two interacting particles. Our quantum walk in time transfers the spatial spread of a quantum walk into the time domain, which guarantees a high stability and scalability of the setup. We present with our device quantum walks over 12 steps on a 2D lattice. By changing the properties of the driving quantum coin, we investigate different kinds of two-particle interactions and reveal their impact on the occurring quantum propagation.

  16. CSR Interaction for a 2D Energy-Chirped Bunch on a General Orbit

    SciTech Connect

    Rui Li

    2009-05-01

    When an electron bunch with initial linear energy chirp traverses a bunch compression chicane, the bunch interacts with itself via coherent synchrotron radiation (CSR) and space charge force. The effective longitudinal CSR force for such kind of 2D bunch on a circular orbit has been analyzed earlier [1]. In this paper, we present the analytical results of the effective longitudinal CSR force for a 2D energy-chirped bunch going through a general orbit, which includes the entrance and exit of a circular orbit. In particular, we will show the behavior of the force in the last bend of a chicane when the bunch is under extreme compression. This is the condition when bifurcation of bunch phase space occurs in many CSR measurements. [1] R. Li, Phys. Rev. ST Accel. Beams 11, 024401 (2008)

  17. Quasi-simultaneous interaction method for solving 2D boundary layer flows over plates and airfoils

    NASA Astrophysics Data System (ADS)

    Bijleveld, H. A.; Veldman, A. E. P.

    2012-11-01

    This paper studies unsteady 2D boundary layer flows over dented plates and a NACA 0012 airfoil. An inviscid flow is assumed to exist outside the boundary layer and is solved iteratively with the boundary layer flow together with the interaction method until a matching solution is achieved. Hereto a quasi-simultaneous interaction method is applied, in which the integral boundary layer equations are solved together with an interaction-law equation. The interaction-law equation is an approximation of the external flow and based on thin-airfoil theory. It is an algebraic relation between the velocity and displacement thickness. The interaction-law equation ensures that the eigenvalues of the system of equations do not have a sign change and that no singularities occur. Three numerical schemes are used to solve the boundary layer flow with the interaction method. These are: a standard scheme, a splitting method and a characteristics solver. All schemes use a finite difference discretization. The three schemes yield comparable results for the simulations carried out. The standard scheme is deviating most from the splitting and characteristics solvers. The results show that the eigenvalues remain positive, even in separation. As expected, the addition of the interaction-law equation prevents a sign change of the eigenvalues. The quasi-simultaneous interaction scheme is applicable to the three numerical schemes tested.

  18. BKT phase transition in a 2D system with long-range dipole-dipole interaction

    NASA Astrophysics Data System (ADS)

    Fedichev, P. O.; Men'shikov, L. I.

    2012-01-01

    We consider phase transitions in 2D XY-like systems with long-range dipole-dipole interactions and demonstrate that BKT-type phase transition always occurs separating the ordered (ferroelectric) and the disordered (paraelectric) phases. The low-temperature phase corresponds to a thermal state with bound vortex-antivortex pairs characterized by linear attraction at large distances. Using the Maier-Schwabl topological charge model, we show that bound vortex pairs polarize and screen the vortex-antivortex interaction, leaving only the logarithmic attraction at sufficiently large separations between the vortices. At higher temperatures the pairs dissociate and the phase transition similar to BKT occurs, though at a larger temperature than in a system without the dipole-dipole interaction.

  19. Nonlinear soil-structure interaction calculations simulating the SIMQUAKE experiment using STEALTH 2D

    NASA Technical Reports Server (NTRS)

    Tang, H. T.; Hofmann, R.; Yee, G.; Vaughan, D. K.

    1980-01-01

    Transient, nonlinear soil-structure interaction simulations of an Electric Power Research Institute, SIMQUAKE experiment were performed using the large strain, time domain STEALTH 2D code and a cyclic, kinematically hardening cap soil model. Results from the STEALTH simulations were compared to identical simulations performed with the TRANAL code and indicate relatively good agreement between all the STEALTH and TRANAL calculations. The differences that are seen can probably be attributed to: (1) large (STEALTH) vs. small (TRANAL) strain formulation and/or (2) grid discretization differences.

  20. An interactive 2-D power-line modeling and simulation tool

    NASA Astrophysics Data System (ADS)

    Hull, David; Adelman, Ross

    2012-06-01

    The U.S. Army Research Laboratory's Power-Line unmanned aerial vehicle (UAV) Modeling and Simulation (ARL-PLUMS) is a tool for estimating and analyzing quasi-static electric and magnetic fields due to power lines. This tool consists of an interactive 2-D graphical user interface (GUI) and a compute engine that can be used to calculate and visualize the E-Field and H-Field due to as many as seven conductors (two 3-phase circuits and a ground wire). ARL-PLUMS allows the user to set the geometry of the lines and the load conditions on those lines, and then calculate Ey, Ez, Hy, or Hz along a linear path or cutting plane, or in the form of a movie. The path can be along the ground or in the air to simulate the fields that might be observed, for example, by a robotic vehicle or a UAV. ARL-PLUMS makes several simplifying assumptions in order to allow simulations to be completed on a laptop PC interactively. In most cases, the results are excellent, providing a "90% solution" in just a few minutes of total modeling and simulation time. This paper describes the physics used by ARL-PLUMS, including the simplifying assumptions and the 2-D Method of Moments solver. Examples of electric and magnetic fields for different wire configurations, including typical 3-phase distribution and transmissions lines, are provided. Comparisons to similar results using a full 3-D model are also shown, and a discussion of errors that may be expected from the 2-D simulations is provided.

  1. Development of a novel 2D color map for interactive segmentation of histological images

    PubMed Central

    Chaudry, Qaiser; Sharma, Yachna; Raza, Syed H.; Wang, May D.

    2016-01-01

    We present a color segmentation approach based on a two-dimensional color map derived from the input image. Pathologists stain tissue biopsies with various colored dyes to see the expression of biomarkers. In these images, because of color variation due to inconsistencies in experimental procedures and lighting conditions, the segmentation used to analyze biological features is usually ad-hoc. Many algorithms like K-means use a single metric to segment the image into different color classes and rarely provide users with powerful color control. Our 2D color map interactive segmentation technique based on human color perception information and the color distribution of the input image, enables user control without noticeable delay. Our methodology works for different staining types and different types of cancer tissue images. Our proposed method’s results show good accuracy with low response and computational time making it a feasible method for user interactive applications involving segmentation of histological images.

  2. Self-Assembly of Cubes into 2D Hexagonal and Honeycomb Lattices by Hexapolar Capillary Interactions

    NASA Astrophysics Data System (ADS)

    Soligno, Giuseppe; Dijkstra, Marjolein; van Roij, René

    2016-06-01

    Particles adsorbed at a fluid-fluid interface induce capillary deformations that determine their orientations and generate mutual capillary interactions which drive them to assemble into 2D ordered structures. We numerically calculate, by energy minimization, the capillary deformations induced by adsorbed cubes for various Young's contact angles. First, we show that capillarity is crucial not only for quantitative, but also for qualitative predictions of equilibrium configurations of a single cube. For a Young's contact angle close to 90°, we show that a single-adsorbed cube generates a hexapolar interface deformation with three rises and three depressions. Thanks to the threefold symmetry of this hexapole, strongly directional capillary interactions drive the cubes to self-assemble into hexagonal or graphenelike honeycomb lattices. By a simple free-energy model, we predict a density-temperature phase diagram in which both the honeycomb and hexagonal lattice phases are present as stable states.

  3. INTERACTIONS BETWEEN TOPOGRAPHY AND ROUGHNESS IN A 2D RASTER-BASED HYDRAULIC MODEL

    NASA Astrophysics Data System (ADS)

    Casas, M.; Yu, D.; Lane, S. N.; Benito-Ferrandez, G.

    2009-12-01

    Analysis of river flow using hydraulic modelling and its implications in derived environmental applications are inextricably connected with the way in which the river boundary shape is represented. This relationship is scale-dependent upon the modelling resolution which in turn determines the importance of a subscale performance of the model and the way subscale (surface and flow) processes are parameterised. This work aims to explore scaling effects associated with the parameterisation of topography and roughness (i.e. surface at different scales) and possible interactions between its components (mesh resolution, topographic content of the DEM and roughness parameterisation) within a 2D raster-based diffusion-wave model. A distributed roughness variable which is scale dependent on the mesh resolution and the surface roughness of the DEM is incorporated to the hydraulic model. The roughness parameterisation is carried out on the basis of a LiDAR-derived vegetation height model and applied in a raster based 2D diffusion wave model. Topographic models with different topographic contents and a constant mesh resolution are generated using LiDAR data and different vertical thresholds. Five DEMs are generated with different topographic contents (±Δz), (DEM±5cm, DEM±10cm, DEM±25cm, DEM±50cm) and four mesh resolutions (1, 2, 4 and 8m) are assessed. A sensitivity analysis on the model results to mesh resolution due to interpolation and resampling procedures of topographic data is performed. Interactions between topographic and roughness parameterisation are related to model results and finally, geostatistical methods are used to document scaling effects in hydraulic modelling results and model performance. This method explicitly recognises the three-way interaction between the discretised mesh resolution and the topographic content in the DEM with the roughness parameterisation. The work shows how the subscale behaviour of the 2D hydraulic model is not well

  4. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    SciTech Connect

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulk IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.

  5. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    DOE PAGES

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulkmore » IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.« less

  6. Roton-maxon excitation spectrum for Q2D weakly interacted dipolar excitons

    NASA Astrophysics Data System (ADS)

    Fedorov, Aleksey; Kurbakov, Igor; Lozovik, Yurii

    2014-03-01

    Remarkable progress was achieved in investigation of collective properties and BEC of quasiparticles, e.g., excitons and polaritons. As it well known their small effective mass provides sufficiently high BEC temperature. However, in reality excitons lifetime is not enough to achieve thermodynamical equilibrium. Spatial separation of electrons and holes in semiconductor layer suppresses recombination process, and exciton lifetime increases sufficiently. Moreover, the separation results in appearance of excitons dipole moments. We predict generation of roton-maxon excitation spectrum for BEC of dipolar excitons in weak correlation regime in Q2D geometry of semiconductor layer. The effect of roton-maxon spectrum is the result of attraction and anisotropy of dipole-dipole interaction in Q2D geometry, and it can be viewed as residual phenomena of phonon collapse for 3D dipoles. According to our estimation effects of BEC and roton-maxon spectrum are principally observable experimentally for excitons in crossed electromagnetic fields in GaAs heterostructures. The work was supported by the RFBR (14-02-00937, 14-08-00606). A.K.F. is an RQC fellow.

  7. 2D double interaction method for modeling small particles contaminating microstructures located on substrates

    NASA Astrophysics Data System (ADS)

    Albella, P.; Moreno, F.; Saiz, J. M.; González, F.

    2007-07-01

    An interaction model developed in previous research [de la Peña JL, González F, Saiz JM, Moreno F, Valle PJ. Sizing particles on substrates. A general method for oblique incidence. J Appl Phys 1999; 85:432] is extended to the study of two-scaled systems consisting of particles located on larger structures. Far-field scattering patterns produced by these systems can be obtained by coherent addition of different electromagnetic contributions, each one obtained from an independent isolated particle calculation. Results are performed on a 2D scheme, where they can be easily compared with those given by an exact method. This analysis shows some features of the scattering patterns that can be obtained with high reliability. Research on this kind of systems can be applied to 3D situations like particle substrate contamination and particle particle contamination.

  8. Toward an Efficient Icing CFD Process Using an Interactive Software Toolkit: Smagglce 2D

    NASA Technical Reports Server (NTRS)

    Vickerman, Mary B.; Choo, Yung K.; Schilling, Herbert W.; Baez, Marivell; Braun, Donald C.; Cotton, Barbara J.

    2001-01-01

    Two-dimensional CID analysis for iced airfoils can be a labor-intensive task. The software toolkit SmaggIce 2D is being developed to help streamline the CID process and provide the unique features needed for icing. When complete, it will include a combination of partially automated and fully interactive tools for all aspects of the tasks leading up to the flow analysis: geometry preparation, domain decomposition. block boundary demoralization. gridding, and linking with a flow solver. It also includes tools to perform ice shape characterization, an important aid in determining the relationship between ice characteristics and their effects on aerodynamic performance. Completed tools, work-in-progress, and planned features of the software toolkit are presented here.

  9. Toward an Efficient Icing CFD Process Using an Interactive Software Toolkit--SmaggIce 2D

    NASA Technical Reports Server (NTRS)

    Vickerman, Mary B.; Choo, Yung K.; Schilling, Herbert W.; Baez, Marivell; Braun, Donald C.; Cotton, Barbara J.

    2002-01-01

    Two-dimensional CFD analysis for iced airfoils can be a labor-intensive task. The software toolkit SmaggIce 2D is being developed to help streamline the CFD process and provide the unique features needed for icing. When complete, it will include a combination of partially automated and fully interactive tools for all aspects of the tasks leading up to the flow analysis: geometry preparation, domain decomposition, block boundary discretization. gridding, and linking with a flow solver. It also includes tools to perform ice shape characterization, an important aid in determining the relationship between ice characteristics and their effects on aerodynamic performance. Completed tools, work-in-progress, and planned features of the software toolkit are presented here.

  10. 2D or not 2D? The impact of nanoscale roughness and substrate interactions on the tribological properties of graphene and MoS2

    NASA Astrophysics Data System (ADS)

    Elinski, Meagan B.; Liu, Zhuotong; Spear, Jessica C.; Batteas, James D.

    2017-03-01

    The use of 2D nanomaterials for controlling friction and wear at interfaces has received increased attention over the past few years due to their unique structural, thermal, electrical and mechanical properties. These materials proffer potential critical solutions to challenges in boundary lubrication across numerous platforms ranging from engines, to biomedical implants and micro- and nano-scaled machines that will play a major role in the Internet of Things. There has been significant work on a range of 2D nanomaterials, such as graphene and molybdenum disulfide (MoS2). From these studies, their frictional properties have been shown to be highly dependent on numerous factors, such as substrate structure, strain, and competing chemical interactions between the interfaces in sliding contact. Moreover, when considering real contacts in machined interfaces, these surfaces are often composed of nanoscaled asperities, whose intermittent contact dominates the tribochemical processes that result in wear. In this review we aim to capture recent work on the tribological properties of graphene and MoS2 and to discuss the impacts of surface roughness (from the atomic scale to the nanoscale) and chemical interactions at interfaces on their frictional properties, and their use in designing advanced boundary lubrication schemes.

  11. Structure and interaction in 2D assemblies of tobacco mosaic viruses

    SciTech Connect

    Yang, L.; Wang. S.; Masafumi, F.; Checco, A.; Zhongwei, N.; Wang, Q.

    2009-08-27

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca2+ ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  12. Structure and Interaction in 2D Assemblies of Tobacco Mosaic Viruses

    SciTech Connect

    Fukuto, M.; Yang, L.; Wang, S.; Fukuto, M.; Checco, A.; Niu, Z.; Wang, Q.

    2009-12-07

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca{sup 2+} ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  13. Adiabatic and Hamiltonian computing on a 2D lattice with simple two-qubit interactions

    NASA Astrophysics Data System (ADS)

    Lloyd, Seth; Terhal, Barbara M.

    2016-02-01

    We show how to perform universal Hamiltonian and adiabatic computing using a time-independent Hamiltonian on a 2D grid describing a system of hopping particles which string together and interact to perform the computation. In this construction, the movement of one particle is controlled by the presence or absence of other particles, an effective quantum field effect transistor that allows the construction of controlled-NOT and controlled-rotation gates. The construction translates into a model for universal quantum computation with time-independent two-qubit ZZ and XX+YY interactions on an (almost) planar grid. The effective Hamiltonian is arrived at by a single use of first-order perturbation theory avoiding the use of perturbation gadgets. The dynamics and spectral properties of the effective Hamiltonian can be fully determined as it corresponds to a particular realization of a mapping between a quantum circuit and a Hamiltonian called the space-time circuit-to-Hamiltonian construction. Because of the simple interactions required, and because no higher-order perturbation gadgets are employed, our construction is potentially realizable using superconducting or other solid-state qubits.

  14. A novel simple procedure to consider seismic soil structure interaction effects in 2D models

    NASA Astrophysics Data System (ADS)

    Jaramillo, Juan Diego; Gómez, Juan David; Restrepo, Doriam; Rivera, Santiago

    2014-09-01

    A method is proposed to estimate the seismic soil-structure-interaction (SSI) effects for use in engineering practice. It is applicable to 2D structures subjected to vertically incident shear waves supported by homogenous half-spaces. The method is attractive since it keeps the simplicity of the spectral approach, overcomes some of the difficulties and inaccuracies of existing classical techniques and yet it considers a physically consistent excitation. This level of simplicity is achieved through a response spectra modification factor that can be applied to the free-field 5%-damped response spectra to yield design spectral ordinates that take into account the scattered motions introduced by the interaction effects. The modification factor is representative of the Transfer Function (TF) between the structural relative displacements and the free-field motion, which is described in terms of its maximum amplitude and associated frequency. Expressions to compute the modification factor by practicing engineers are proposed based upon a parametric study using 576 cases representative of actual structures. The method is tested in 10 cases spanning a wide range of common fundamental vibration periods.

  15. Polymorphic polytypic transition induced in crystals by interaction of spirals and 2D growth mechanisms

    NASA Astrophysics Data System (ADS)

    Aquilano, Dino; Veesler, Stéphane; Astier, Jean Pierre; Pastero, Linda

    2003-01-01

    The relationship between crystal polymorphism and polytypism can be revealed by surface patterns through the interlacing of the growth spirals. Simple high-symmetry structures as SiC, ZnS, CdI2 and more complex low-symmetry layered structures as n-paraffins, n-alcohols and micas are concerned with polymorphic-polytypic transition. In this paper, we will show for the first time, through in situ AFM observations and X-ray diffractometry, that a protein polymorph (P2 12 12 1α-amylase) locally changes, during growth, to a monoclinic P2 1 polytype, thanks to the screw dislocation activity. The interplay between spiral steps and 2D nuclei of the polytypes coexisting in the same crystalline individual allows to foresee the consequences on the crystal quality. The discussion is extended to other mineral and biological molecules and a new general rule is proposed to explain the interactions between surface patterns and the bulk crystal structure.

  16. Insulating Behavior of Strongly Interacting 2D Electrons in Si MOSFETs

    NASA Astrophysics Data System (ADS)

    Li, Shiqi; Sarachik, M. P.; Kravchenko, S. V.

    Experiments on low disorder strongly-interacting 2D electron systems have shown that in the absence of a magnetic field, the temperature dependence of the resistivity changes from metallic-like to insulating behavior as the electron density ns is reduced below a critical density nc. It has been shown that a metal to insulator transition also occurs in these systems for fixed electron density ns at a critical (density-dependent) in-plane magnetic field which results in complete spin polarization of the electrons. Here we report measurements of the temperature dependence of the resistivity in a high mobility Si-MOSFET sample, where in one case the insulating state is reached by reducing the electron density in zero field, and in the other case it is reached by ''quenching'' the metallic behavior with an in-plane field of 5 T. We find that the resistivity of the insulating state behaves in very similar ways for both cases, exhibiting Efros-Shklovskii variable range hopping regardless of the degree of polarization of the electron spins Work at CCNY is supported by NSF Grant DMR-1309008 and BSF Grant 2012210; for S. K. by NSF Grant DMR-1309337 and BSF Grant 2012210.

  17. Protein kinase A RII-like (R2D2) proteins exhibit differential localization and AKAP interaction.

    PubMed

    Newell, Amy E Hanlon; Fiedler, Sarah E; Ruan, Jenny M; Pan, Jieyan; Wang, P Jeremy; Deininger, Jutta; Corless, Christopher L; Carr, Daniel W

    2008-07-01

    A-kinase anchoring proteins (AKAPs) bind to protein kinase A (PKA) via an amphipathic helix domain that interacts with a dimerization/docking domain on the regulatory (R) subunit of PKA. Four other mammalian proteins (ROPN1, ASP, SP17, and CABYR) also contain a highly conserved RII dimerization/docking (R2D2) domain, suggesting all four proteins may interact with all AKAPs in a manner similar to RII. All four of these proteins were originally detected in the flagellum of mammalian sperm. In this report, we demonstrate that all four R2D2 proteins are expressed in a wide variety of tissues and three of the proteins SP17, CABYR, and ASP are located in motile cilia of human bronchus and fallopian tubes. In addition, we detect SP17 in primary cilia. We also provide evidence that ROPN1 and ASP bind to a variety of AKAPs and this interaction can be disrupted with anchoring inhibitor peptides. The interaction of SP17 and CABYR with AKAPs appears to be much more limited. None of the R2D2 proteins appears to bind cAMP, a fundamental characteristic of the regulatory subunits of PKA. These observations suggest that R2D2 proteins utilize docking interactions with AKAPs to accomplish their function of regulating cilia and flagella. Based on location, affinity for AKAPs and lack of affinity for cAMP, it appears that each R2D2 protein has a unique role in this process.

  18. Isolation, identification and characterisation of starch-interacting proteins by 2-D affinity electrophoresis.

    PubMed

    Kosar-Hashemi, Behjat; Irwin, Jennifer A; Higgins, Jody; Rahman, Sadequr; Morell, Matthew K

    2006-05-01

    A 2-D affinity electrophoretic technique (2-DAE) has been used to isolate proteins that interact with various starch components from total barley endosperm extracts. In the first dimension, proteins are separated by native PAGE. The second-dimensional gel contains polysaccharides such as amylopectin and glycogen. The migration of starch-interacting proteins in this dimension is determined by their affinity towards a particular polysaccharide and these proteins are therefore spatially separated from the bulk of proteins in the crude extract. Four distinct proteins demonstrate significant affinity for amylopectin and have been identified as starch branching enzyme I (SBEI), starch branching enzyme IIa (SBEIIa), SBEIIb and starch phosphorylase using polyclonal antibodies and zymogram activity analysis. In the case of starch phosphorylase, a protein spot was excised from a 2-DAE polyacrylamide gel and analysed using Q-TOF MS/MS, resulting in the alignment of three internal peptide sequences with the known sequence of the wheat plastidic starch phosphorylase isoform. This assignment was confirmed by the determination of the enzyme's function using zymogram analysis. Dissociation constants (Kd) were calculated for the three enzymes at 4 degrees C and values of 0.20, 0.21 and 1.3 g/L were determined for SBEI, SBEIIa and starch phosphorylase, respectively. Starch synthase I could also be resolved from the other proteins in the presence of glycogen and its identity was confirmed using a polyclonal antibody and by activity analysis. The 2-DAE method described here is simple, though powerful, enabling protein separation from crude extracts on the basis of function.

  19. Web-based interactive 2D/3D medical image processing and visualization software.

    PubMed

    Mahmoudi, Seyyed Ehsan; Akhondi-Asl, Alireza; Rahmani, Roohollah; Faghih-Roohi, Shahrooz; Taimouri, Vahid; Sabouri, Ahmad; Soltanian-Zadeh, Hamid

    2010-05-01

    There are many medical image processing software tools available for research and diagnosis purposes. However, most of these tools are available only as local applications. This limits the accessibility of the software to a specific machine, and thus the data and processing power of that application are not available to other workstations. Further, there are operating system and processing power limitations which prevent such applications from running on every type of workstation. By developing web-based tools, it is possible for users to access the medical image processing functionalities wherever the internet is available. In this paper, we introduce a pure web-based, interactive, extendable, 2D and 3D medical image processing and visualization application that requires no client installation. Our software uses a four-layered design consisting of an algorithm layer, web-user-interface layer, server communication layer, and wrapper layer. To compete with extendibility of the current local medical image processing software, each layer is highly independent of other layers. A wide range of medical image preprocessing, registration, and segmentation methods are implemented using open source libraries. Desktop-like user interaction is provided by using AJAX technology in the web-user-interface. For the visualization functionality of the software, the VRML standard is used to provide 3D features over the web. Integration of these technologies has allowed implementation of our purely web-based software with high functionality without requiring powerful computational resources in the client side. The user-interface is designed such that the users can select appropriate parameters for practical research and clinical studies.

  20. Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

    SciTech Connect

    Osiry, H.; Cano, A.; Reguera, L.; Lemus-Santana, A.A.; Reguera, E.

    2015-01-15

    The pentacyanonitrosylferrate complex anion, [Fe(CN){sub 5}NO]{sup 2−}, forms an insoluble solid with Hg(I) ion, of formula unit Hg{sub 2}[Fe(CN){sub 5}NO]·2H{sub 2}O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV–vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P−1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg{sub 2}[Fe(CN){sub 5}NO] building units remain linked through four relatively strong Hg–Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg–Hg bond. In the Raman spectrum, that metal–metal bond is detected as a stretching vibration band at 167 cm{sup −1}. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework. - Graphical abstract: Assembling of Hg{sub 2}[Fe(CN){sub 5}NO] units through Hg–Hg interactions. - Highlights: • Homometallic Hg–Hg interactions in metal nitroprusside. • 2D structure supported on metal–metal interactions. • Crystal

  1. Regulation of cerebral CYP2D alters tramadol metabolism in the brain: interactions of tramadol with propranolol and nicotine.

    PubMed

    Wang, Qiaoli; Han, Xiaotong; Li, Jian; Gao, Xinghui; Wang, Yan; Liu, Mingzhou; Dong, Guicheng; Yue, Jiang

    2015-04-01

    1. Cytochrome P450 2D (CYP2D) protein is widely expressed across brain regions in human and rodents. We investigated the interactions between tramadol, a clinically used analgesic, and brain CYP2D regulators, by establishing concentration-time curves of tramadol and O-desmethyltramadol (M1) in rat cerebrospinal fluid (CSF) and plasma, as well as by analyzing the analgesia-time course of tramadol. 2. Propranolol (20 μg, intracerebroventricular injection), CYP2D inhibitor, prolonged the elimination t1/2 of tramadol (40 mg/kg, intraperitoneal injection) in the CSF; meanwhile, lower Cmax and AUC0-∞ values of M1 were observed. Nicotine (1 mg base/kg, subcutaneous injection, seven days), brain CYP2D inducer, induced a shorter Tmax and elevated Cmax of M1 in CSF. No differences in the peripheral metabolism of tramadol were observed following propranolol and nicotine pretreatment. Nicotine increased areas under the analgesia-time curve (AUC) for 0-45 min and 0-90 min of tramadol, which was attenuated by propranolol administration. The analgesic actions of tramadol positively correlated with cerebral M1 concentration. 3. The results suggest that the regulation of brain CYP2D by xenobiotics may cause drug-drug interactions (DDIs) of tramadol. Brain CYPs may play an important role in DDIs of centrally active substances.

  2. MAG2D: Interactive 2-1/2-dimensional magnetic modeling program (User's Guide and Documentation for Rev. 1)

    SciTech Connect

    Nutter, C.

    1981-04-01

    MAG2D is an interactive computer program used for modeling 2-1/2-dimensional magnetic data. A forward algorithm is used to give the theoretical attraction of magnetic intensity at a station due to a perturbing body given by the initial model. The resultant model can then be adjusted for a better fit by a combination of manual adjustment, one-dimensional automatic search, and Marquardt inversion. MAG2D has an interactive data management system for data manipulation and display built around subroutines to do a forward problem, a one-dimensional direct search and an inversion. These subroutines were originally separate batch-mode programs.

  3. Interactive Boundary Detection for Automatic Definition of 2D Opacity Transfer Function

    NASA Astrophysics Data System (ADS)

    Rauberger, Martin; Overhoff, Heinrich Martin

    In computer assisted diagnostics nowadays, high-value 3-D visualization intake a supporting role to the traditional 2-D slice wise visualization. 3-D visualization may create intuitive visual appearances of the spatial relations of anatomical structures, based upon transfer functions mapping data values to visual parameters, e.g. color or opacity. Manual definition of these transfer functions however requires expert knowledge and can be tedious. In this paper an approach to automatizing 2-D opacity transfer function definition is presented. Upon few parameters characterizing the image volume and an user-depicted area of interest, the procedure detects organ surfaces automatically, upon which transfer functions may automatically be defined. Parameter setting still requires experience about the imaging properties of modalities, and improper setting can cause falsely detected organ surfaces. Procedure tests with CT and MRI image volumes show, that real time structure detection is even possible for noisy image volumes.

  4. Exploring the possible metabolism mediated interaction of Glycyrrhiza glabra extract with CYP3A4 and CYP2D6.

    PubMed

    Pandit, Subrata; Ponnusankar, Sivasankaran; Bandyopadhyay, Arun; Ota, Sarda; Mukherjee, Pulok K

    2011-10-01

    The rhizome of Glycyrrhiza glabra L. (licorice) is used very widely in Indian and Chinese traditional medicine, and it is a popular flavor ingredient of drinks, sweets and candies. Its medicinal uses include treating bronchitis, dry cough, respiratory infections, liver disorders and diabetes. Glycyrrhizin is normally considered to be its biologically active marker, so a rapid RP-HPLC method was developed for the quantitative estimation of glycyrrhizin in the extract. The effect of the standardized extract and its marker on drug metabolizing enzymes was evaluated through CYP3A4 and CYP2D6 inhibition assays to evaluate the safety through its drug interaction potential. The inhibition of CYP3A4 and CYP2D6 isozymes was analysed by the fluorescent product formation method. In the CYP450-CO assay, the interaction potential of the standardized extract and pooled microsomes (percentage inhibition 23.23 ± 1.84%), was found to be less than the standard inhibitor. In the fluorimetric assay, G. glabra extracts showed higher IC(50) values than their positive inhibitors, ketoconazole and quinidine for CYP3A4 and CYP2D6, respectively. Furthermore, the interaction potential of the plant extract was greater than the pure compound. The results demonstrate that G. glabra and its principle bioactive compound, glycyrrhizin, when co-administered with conventional medicines showed only a weak interaction potential with drug metabolizing enzymes.

  5. In silico and in vivo evaluation of flavonoid extracts on CYP2D6-mediated herb-drug interaction.

    PubMed

    Su, Zhe; Zhang, Bo; Zhu, Wenliang; Du, Zhimin

    2012-10-01

    Flavonoid extracts are widely used for preventing and treating ischemic heart disease. However, because many flavonoid extracts have been verified to inhibit CYP2D6 the main metabolic enzyme for the majority of antiarrhythmics and beta-blockers, co-administration of flavonoid extracts with these drugs may cause adverse herb-drug interaction in clinic. Here, we evaluated 43 common flavonoids on CYP2D6 inhibition in sillico and four commercial flavonoid extracts in vivo on the pharmacokinetics and pharmacodynamics of metoprolol in rats. Surprisingly, we found that the core skeletons of flavonoids instead of their substituents determine the extent of inhibiting CYP2D6 by a flavonoid extract. Isoflavones are less likely to inhibit CYP2D6, compared with other categories of flavonoids. Consistently, co-administration of soy extract that mainly contains isoflavones did not significantly increase plasma concentration of metoprolol and alter the systolic blood pressure of rats. Our results have implication in rationally selecting flavonoid extracts for therapeutic application.

  6. A 2D suspension of active agents: the role of fluid mediated interactions.

    PubMed

    Behmadi, Hojjat; Fazli, Zahra; Najafi, Ali

    2017-03-22

    Taking into account both the Vicsek short-range ordering and the far-field hydrodynamic interactions mediated by the ambient fluid, we investigate the role of long-range interactions in the ordering phenomena in a quasi 2-dimensional active suspension. By studying the number fluctuations, the velocity correlation functions and cluster size distribution function, we show that depending on the number density of swimmers and the strength of noise, the hydrodynamic interactions can have significant effects in a suspension. For a fixed value of noise, at larger density of particles, long-range interactions enhance the particle pairing and cluster formation in the system.

  7. A 2D suspension of active agents: the role of fluid mediated interactions

    NASA Astrophysics Data System (ADS)

    Behmadi, Hojjat; Fazli, Zahra; Najafi, Ali

    2017-03-01

    Taking into account both the Vicsek short-range ordering and the far-field hydrodynamic interactions mediated by the ambient fluid, we investigate the role of long-range interactions in the ordering phenomena in a quasi 2-dimensional active suspension. By studying the number fluctuations, the velocity correlation functions and cluster size distribution function, we show that depending on the number density of swimmers and the strength of noise, the hydrodynamic interactions can have significant effects in a suspension. For a fixed value of noise, at larger density of particles, long-range interactions enhance the particle pairing and cluster formation in the system.

  8. Directional statistics for realistic weakly interacting massive particle direct detection experiments. II. 2D readout

    NASA Astrophysics Data System (ADS)

    Morgan, Ben; Green, Anne M.

    2005-12-01

    The direction dependence of the WIMP direct detection rate provides a powerful tool for distinguishing a WIMP signal from possible backgrounds. We study the number of events required to discriminate a WIMP signal from an isotropic background for a detector with 2-d readout using nonparametric circular statistics. We also examine the number of events needed to (i) detect a deviation from rotational symmetry, due to flattening of the Milky Way halo and (ii) detect a deviation in the mean direction due to a tidal stream. If the senses of the recoils are measured then of order 20--70 events (depending on the plane of the 2-d readout and the detector location) will be sufficient to reject isotropy of the raw recoil angles at 90% confidence. If the senses can not be measured these number increase by roughly 2 orders of magnitude (compared with an increase of 1 order of magnitude for the case of full 3-d readout). The distributions of the reduced angles, with the (time-dependent) direction of solar motion subtracted, are far more anisotropic, however, and if the isotropy tests are applied to these angles then the numbers of events required are similar to the case of 3-d readout. A deviation from rotational symmetry will only be detectable if the Milky Way halo is significantly flattened. The deviation in the mean direction due to a tidal stream is potentially detectable, however, depending on the density and direction of the stream. The meridian plane (which contains the Earth’s spin axis) is, for all detector locations, the optimum readout plane for rejecting isotropy. However readout in this plane can not be used for detecting flattening of the Milky Way halo or a stream with direction perpendicular to the galactic plane. In these cases the optimum readout plane depends on the detector location.

  9. Delocalization of two interacting particles in the 2D Harper model

    NASA Astrophysics Data System (ADS)

    Frahm, Klaus M.; Shepelyansky, Dima L.

    2016-01-01

    We study the problem of two interacting particles in a two-dimensional quasiperiodic potential of the Harper model. We consider an amplitude of the quasiperiodic potential such that in absence of interactions all eigenstates are exponentially localized while the two interacting particles are delocalized showing anomalous subdiffusive spreading over the lattice with the spreading exponent b ≈ 0.5 instead of a usual diffusion with b = 1. This spreading is stronger than in the case of a correlated disorder potential with a one particle localization length as for the quasiperiodic potential. At the same time we do not find signatures of ballistic pairs existing for two interacting particles in the localized phase of the one-dimensional Harper model.

  10. Contributions of ionic interactions and protein dynamics to cytochrome P450 2D6 (CYP2D6) substrate and inhibitor binding.

    PubMed

    Wang, An; Stout, C David; Zhang, Qinghai; Johnson, Eric F

    2015-02-20

    P450 2D6 contributes significantly to the metabolism of >15% of the 200 most marketed drugs. Open and closed crystal structures of P450 2D6 thioridazine complexes were obtained using different crystallization conditions. The protonated piperidine moiety of thioridazine forms a charge-stabilized hydrogen bond with Asp-301 in the active sites of both complexes. The more open conformation exhibits a second molecule of thioridazine bound in an expanded substrate access channel antechamber with its piperidine moiety forming a charge-stabilized hydrogen bond with Glu-222. Incubation of the crystalline open thioridazine complex with alternative ligands, prinomastat, quinidine, quinine, or ajmalicine, displaced both thioridazines. Quinine and ajmalicine formed charge-stabilized hydrogen bonds with Glu-216, whereas the protonated nitrogen of quinidine is equidistant from Asp-301 and Glu-216 with protonated nitrogen H-bonded to a water molecule in the access channel. Prinomastat is not ionized. Adaptations of active site side-chain rotamers and polypeptide conformations were evident between the complexes, with the binding of ajmalicine eliciting a closure of the open structure reflecting in part the inward movement of Glu-216 to form a hydrogen bond with ajmalicine as well as sparse lattice restraints that would hinder adaptations. These results indicate that P450 2D6 exhibits sufficient elasticity within the crystal lattice to allow the passage of compounds between the active site and bulk solvent and to adopt a more closed form that adapts for binding alternative ligands with different degrees of closure. These crystals provide a means to characterize substrate and inhibitor binding to the enzyme after replacement of thioridazine with alternative compounds.

  11. Experimental Investigation of Shock-Shock Interactions Over a 2-D Wedge at M=6

    NASA Technical Reports Server (NTRS)

    Jones, Michelle L.

    2013-01-01

    The effects of fin-leading-edge radius and sweep angle on peak heating rates due to shock-shock interactions were investigated in the NASA Langley Research Center 20-inch Mach 6 Air Tunnel. The fin model leading edges, which represent cylindrical leading edges or struts on hypersonic vehicles, were varied from 0.25 inches to 0.75 inches in radius. A 9deg wedge generated a planar oblique shock at 16.7deg to the flow that intersected the fin bow shock, producing a shock-shock interaction that impinged on the fin leading edge. The fin angle of attack was varied from 0deg (normal to the free-stream) to 15deg and 25deg swept forward. Global temperature data was obtained from the surface of the fused silica fins through phosphor thermography. Metal oil flow models with the same geometries as the fused silica models were used to visualize the streamline patterns for each angle of attack. High-speed zoom-schlieren videos were recorded to show the features and temporal unsteadiness of the shock-shock interactions. The temperature data were analyzed using one-dimensional semi-infinite as well as one- and two-dimensional finite-volume methods to determine the proper heat transfer analysis approach to minimize errors from lateral heat conduction due to the presence of strong surface temperature gradients induced by the shock interactions. The general trends in the leading-edge heat transfer behavior were similar for the three shock-shock interactions, respectively, between the test articles with varying leading-edge radius. The dimensional peak heat transfer coefficient augmentation increased with decreasing leading-edge radius. The dimensional peak heat transfer output from the two-dimensional code was about 20% higher than the value from a standard, semi-infinite one-dimensional method.

  12. Dynamically Tuning Particle Interactions and Assemblies at Soft Interfaces: Reversible Order-Disorder Transitions in 2D Particle Monolayers.

    PubMed

    Park, Bum Jun; Lee, Daeyeon

    2015-09-16

    Particles trapped at fluid interfaces experience long-range interactions that determine their assembly behavior. Because particle interactions at fluid interfaces tend to be unusually strong, once particles organize themselves into a 2D assembly, it is challenging to induce changes in their microstructure. In this report, a new approach is presented to induce reversible order-disorder transitions (ODTs) in the 2D monolayer of colloidal particles trapped at a soft gel-fluid interface. Particles at the soft interface, consisting of a nonpolar superphase and a weakly gelled subphase, initially form a monolayer with a highly ordered structure. The structure of this monolayer can be dynamically varied by the addition or removal of the oil phase. Upon removing the oil via evaporation, the initially ordered particle monolayer undergoes ODT, driven by capillary attractions. The ordered monolayer can be recovered through disorder-to-order transition by simply adding oil atop the particle-laden soft interface. The possibility to dynamically tune the interparticle interactions using soft interfaces can potentially enable control of the transport and mechanical properties of particle-laden interfaces and provide model systems to study particle-laden soft interfaces that are relevant to biological tissues or organs.

  13. Rayleigh surface wave interaction with the 2D exciton Bose-Einstein condensate

    SciTech Connect

    Boev, M. V.; Kovalev, V. M.

    2015-06-15

    We describe the interaction of a Rayleigh surface acoustic wave (SAW) traveling on the semiconductor substrate with the excitonic gas in a double quantum well located on the substrate surface. We study the SAW attenuation and its velocity renormalization due to the coupling to excitons. Both the deformation potential and piezoelectric mechanisms of the SAW-exciton interaction are considered. We focus on the frequency and excitonic density dependences of the SAW absorption coefficient and velocity renormalization at temperatures both above and well below the critical temperature of Bose-Einstein condensation of the excitonic gas. We demonstrate that the SAW attenuation and velocity renormalization are strongly different below and above the critical temperature.

  14. A viscous-inviscid interaction method for 2-D unsteady, compressible flows

    NASA Technical Reports Server (NTRS)

    Tuncer, Ismail H.; Ekaterinaris, John A.; Platzer, Max F.

    1993-01-01

    A Navier-Stokes/potentia/flow interactive solution method suitable for the solution of steady-state and unsteady flowfields around airfoils has been developed. The Navier-Stokes equations are solved in the close proximity of an airfoil and in its wake. The inviscid flowfield surrounding the viscous flow regions is assumed to be irrotational and isentropic. In the inviscid flow region, the potential flow equations, which are based on distributed sources and vortices, are solved. The two solutions are strongly coupled through the application of their boundary conditions. The strongly coupled Navier-Stokes/potential flow interactive solution method confines computations to a small domain in the proximity of an airfoil. For steady flow solutions, the computational domain may be confined to a region which extends less than one-fifth of a chord length distance away from the airfoil surface. Computed solutions have the same accuracy as the full domain NavierStokes solutions. Yet, as a result of the significantly reduced computational domain and increased convergence rates, the Navier-Stokes/potential flow interactive solution method is about 40 percent more efficient computationally.

  15. Engineering 2D Ising Interactions in a Large (N>100) Ensemble of Trapped Ions

    NASA Astrophysics Data System (ADS)

    Sawyer, Brian; Britton, Joseph; Keith, Adam; Wang, Joseph; Freericks, James; Uys, Hermann; Biercuk, Michael; Bollinger, John

    2012-06-01

    Experimental progress in atomic, molecular, and optical physics has enabled exquisite control over ensembles of cold trapped ions. We have recently engineered long-range Ising interactions in a two-dimensional, 1-mK Coulomb crystal of hundreds of ^9Be^+ ions confined within a Penning trap. Interactions between the ^9Be^+ valence spins are mediated via spin-dependent optical dipole forces (ODFs) coupling to transverse motional modes of the planar crystal. A continuous range of inverse power-law spin-spin interactions from infinite (1/r^0) to dipolar (1/r^3) are accessible by varying the ODF drive frequency relative to the transverse modes. The ions naturally form a triangular lattice structure within the planar array, allowing for simulation of spin frustration using our generated antiferromagnetic couplings. We report progress toward simulating the ferromagnetic/antiferromagnetic transverse quantum Ising Hamiltonians in this large ensemble. We also report spectroscopy, thermometry, and sensitive displacement detection (˜100 pm) via entanglement of valence spin and drumhead oscillations.

  16. Effect of wing-wake interaction on aerodynamic force generation on a 2D flapping wing

    NASA Astrophysics Data System (ADS)

    Lua, K. B.; Lim, T. T.; Yeo, K. S.

    2011-07-01

    This paper is motivated by the works of Dickinson et al. (Science 284:1954-1960, 1999) and Sun and Tang (J Exp Biol 205:55-70, 2002) which provided two different perspectives on the influence of wing-wake interaction (or wake capture) on lift generation during flapping motion. Dickinson et al. (Science 284:1954-1960, 1999) hypothesize that wake capture is responsible for the additional lift generated at the early phase of each stroke, while Sun and Tang (J Exp Biol 205:55-70, 2002) believe otherwise. Here, we take a more fundamental approach to study the effect of wing-wake interaction on the aerodynamic force generation by carrying out simultaneous force and flow field measurements on a two-dimensional wing subjected to two different types of motion. In one of the motions, the wing at a fixed angle of attack was made to follow a motion profile described by "acceleration-constant velocity-deceleration". Here, the wing was first linearly accelerated from rest to a predetermined maximum velocity and remains at that speed for set duration before linearly decelerating to a stop. The acceleration and deceleration phase each accounted for only 10% of the stroke, and the stroke covered a total distance of three chord lengths. In another motion, the wing was subjected to the same above-mentioned movement, but in a back and forth manner over twenty strokes. Results show that there are two possible outcomes of wing-wake interaction. The first outcome occurs when the wing encounters a pair of counter-rotating wake vortices on the reverse stroke, and the induced velocity of these vortices impinges directly on the windward side of the wing, resulting in a higher oncoming flow to the wing, which translates into a higher lift. Another outcome is when the wing encounters one vortex on the reverse stroke, and the close proximity of this vortex to the windward surface of the wing, coupled with the vortex suction effect (caused by low pressure region at the center of the vortex

  17. Band formation in a molecular quantum well via 2D superatom orbital interactions.

    PubMed

    Dougherty, Daniel B; Feng, Min; Petek, Hrvoje; Yates, John T; Zhao, Jin

    2012-12-28

    By scanning tunneling microscopy and spectroscopy, we study nearly free electron band formation of the σ* lowest unoccupied molecular orbital of C6F6 on a Cu(111) surface. In fractal islands, the lowest unoccupied molecular orbital energy systematically stabilizes with the number of interacting near-neighbor C6F6 molecules. Density functional theory calculations reveal the origin of effective intermolecular orbital overlap in the previously unrecognized superatom character of the σ* orbital of C6F6 molecules. The discovery of superatom orbitals in planar molecules offers a new universal principle for effective band formation, which can be exploited in designing organic semiconductors with nearly free electron properties.

  18. Engineered long-range interactions on a 2D array of trapped ions

    NASA Astrophysics Data System (ADS)

    Britton, Joseph W.; Sawyer, Brian C.; Bollinger, John J.; Freericks, James K.

    2014-03-01

    Ising interactions are one paradigm used to model quantum magnetism in condensed matter systems. At NIST Boulder we confine and Doppler laser cool hundreds of 9Be+ ions in a Penning trap. The valence electron of each ion behaves as an ideal spin-1/2 particle and, in the limit of weak radial confinement relative to axial confinement, the ions naturally form a two-dimensional triangular lattice. A variable-range anti-ferromagnetic Ising interaction is engineered with a spin-dependent optical dipole force (ODF) through spin-dependent excitation of collective modes of ion motion. We have also exploited this spin-dependent force to perform spectroscopy and thermometry of the normal modes of the trapped ion crystal. The high spin-count and long-range spin-spin couplings achievable in the NIST Penning trap brings within reach simulation of computationally intractable problems in quantum magnetism. Examples include modeling quantum magnetic phase transitions and propagation of spin correlations resulting from a quantum quench. The Penning system may also be amenable to observation of spin-liquid behavior thought to arise in systems where the underlying lattice structure can frustrate long-range ordering. Supported by DARPA OLE and NIST.

  19. TIGGERC: Turbomachinery Interactive Grid Generator for 2-D Grid Applications and Users Guide

    NASA Technical Reports Server (NTRS)

    Miller, David P.

    1994-01-01

    A two-dimensional multi-block grid generator has been developed for a new design and analysis system for studying multiple blade-row turbomachinery problems. TIGGERC is a mouse driven, interactive grid generation program which can be used to modify boundary coordinates and grid packing and generates surface grids using a hyperbolic tangent or algebraic distribution of grid points on the block boundaries. The interior points of each block grid are distributed using a transfinite interpolation approach. TIGGERC can generate a blocked axisymmetric H-grid, C-grid, I-grid or O-grid for studying turbomachinery flow problems. TIGGERC was developed for operation on Silicon Graphics workstations. Detailed discussion of the grid generation methodology, menu options, operational features and sample grid geometries are presented.

  20. Bcs-Bose Crossover Picture for a 2d Electron Gas with a Finite-Range Attractive Interfermion Interaction

    NASA Astrophysics Data System (ADS)

    Solís, Miguel A.; Sevilla, Francisco J.; Fortes, Mauricio; de Llano, Manuel

    2002-03-01

    Cooper pair formation is studied in a 2D electron gas interacting pairwise through a finite-range, separable interfermion potential in wavevector space V_ kk^' =-(v_0/L^2)g_kg_k^' , where L^2 is the system area, v0 >= 0 the interaction strength, g_k≡ (1+k^2/k_0^2)-1/2 with k0 the inverse interaction range. The interaction strength v0 is eliminated [1] in favor of the (positive) binding energy B2 of an electron pair in vacuum under the same interfermion interaction. For finite range, i.e., 1/k_0>0, we report numerical calculations of the gap, the critical temperature and the chemical potential as functions of B2 and 1/k_0. For k_0= ∞ or zero-range (viz., a delta potential well) we recover at T=0 the well-known Miyake [2] results. Finally, the gap-to-Tc ratio is exhibited as a function of B2 and compared with other calculations as well as with empirical values for cuprate superconductors. [1] S.K. Adhikari, M. Casas, A. Puente, A. Rigo, M. Fortes, M.A. Solís, M. de Llano, A.A. Valladares and O. Rojo, Phys. Rev. B 62, 8671 (2000). [2] K. Miyake, Prog. Theor. Phys. 69, 1794 (1983). We thank UNAM-DGAPA-PAPIIT # IN102198 and CONACyT # 27828E for partial support.

  1. Application of Mice Humanized for CYP2D6 to the Study of Tamoxifen Metabolism and Drug–Drug Interaction with Antidepressants

    PubMed Central

    MacLeod, A. Kenneth; McLaughlin, Lesley A.; Henderson, Colin J.

    2017-01-01

    Tamoxifen is an estrogen receptor antagonist used in the treatment of breast cancer. It is a prodrug that is converted by several cytochrome P450 enzymes to a primary metabolite, N-desmethyltamoxifen (NDT), which is then further modified by CYP2D6 to a pharmacologically potent secondary metabolite, 4-hydroxy-N-desmethyltamoxifen (endoxifen). Antidepressants (ADs), which are often coprescribed to patients receiving tamoxifen, are also metabolized by CYP2D6 and evidence suggests that a drug–drug interaction between these agents adversely affects the outcome of tamoxifen therapy by inhibiting endoxifen formation. We evaluated this potentially important drug–drug interaction in vivo in mice humanized for CYP2D6 (hCYP2D6). The rate of conversion of NDT to endoxifen by hCYP2D6 mouse liver microsomes (MLMs) in vitro was similar to that of the most active members of a panel of 13 individual human liver microsomes. Coincubation with quinidine, a CYP2D6 inhibitor, ablated endoxifen generation by hCYP2D6 MLMs. The NDT-hydroxylation activity of wild-type MLMs was 7.4 times higher than that of hCYP2D6, whereas MLMs from Cyp2d knockout animals were inactive. Hydroxylation of NDT correlated with that of bufuralol, a CYP2D6 probe substrate, in the human liver microsome panel. In vitro, ADs of the selective serotonin reuptake inhibitor class were, by an order of magnitude, more potent inhibitors of NDT hydroxylation by hCYP2D6 MLMs than were compounds of the tricyclic class. At a clinically relevant dose, paroxetine pretreatment inhibited the generation of endoxifen from NDT in hCYP2D6 mice in vivo. These data demonstrate the potential of ADs to affect endoxifen generation and, thereby, the outcome of tamoxifen therapy. PMID:27756789

  2. Experimental Database with Baseline CFD Solutions: 2-D and Axisymmetric Hypersonic Shock-Wave/Turbulent-Boundary-Layer Interactions

    NASA Technical Reports Server (NTRS)

    Marvin, Joseph G.; Brown, James L.; Gnoffo, Peter A.

    2013-01-01

    A database compilation of hypersonic shock-wave/turbulent boundary layer experiments is provided. The experiments selected for the database are either 2D or axisymmetric, and include both compression corner and impinging type SWTBL interactions. The strength of the interactions range from attached to incipient separation to fully separated flows. The experiments were chosen based on criterion to ensure quality of the datasets, to be relevant to NASA's missions and to be useful for validation and uncertainty assessment of CFD Navier-Stokes predictive methods, both now and in the future. An emphasis on datasets selected was on surface pressures and surface heating throughout the interaction, but include some wall shear stress distributions and flowfield profiles. Included, for selected cases, are example CFD grids and setup information, along with surface pressure and wall heating results from simulations using current NASA real-gas Navier-Stokes codes by which future CFD investigators can compare and evaluate physics modeling improvements and validation and uncertainty assessments of future CFD code developments. The experimental database is presented tabulated in the Appendices describing each experiment. The database is also provided in computer-readable ASCII files located on a companion DVD.

  3. Electromagnetic 2D/3D Particle-in-Cell simulations of the solar wind interaction with lunar crustal anomalies.

    NASA Astrophysics Data System (ADS)

    Deca, Jan; Lapenta, Giovanni; Lembège, Bertrand; Divin, Andrey; Markidis, Stefano; Amaya, Jorge

    2013-04-01

    We present the first 2D/3D fully kinetic Particle-in-Cell simulations of the solar wind interaction with lunar crustal magnetic anomalies. The simulations are performed using the implicit electromagnetic Particle-in-Cell code iPIC3D [Markidis, Lapenta & Rizwan-uddin, 2010]. Multiscale physics is resolved for all plasma components (heavy ions, protons and electrons) in the code, recently updated with a set of open boundary conditions designed for solar wind-body interactions. We use a dipole to model the crustal anomaly. The dipole center is located outside the computational domain and the boundary representing the lunar surface is modeled as a particle-absorbing plane. Photo-emission from the lunar surface is at this point not included, but will be in future work. We study the behaviour of the dipole model with variable surface magnetic field strength under changing solar wind conditions and confirm that lunar crustal magnetic fields may indeed be strong enough to stand off the solar wind and form a mini-magnetosphere, as suggested by MHD simulations [Harnett & Winglee, 2000, 2002, 2003] and spacecraft observations [Kurata et al., 2005; Halekas et al., 2008; Wieser et al., 2010]. 3D-PIC simulations reveal to be very helpful to analyze the diversion/braking of the particle flux and the characteristics of the resulting particles accumulation. The particle flux to the surface is significantly reduced at the magnetic anomaly, surrounded by a region of enhanced density due to the magnetic mirror effect. Finally we will present preliminary results on the interaction of the solar wind with weaker magnetic anomalies in which highly non-adiabatic interactions are expected.

  4. Hartree-Fock Solutions of 2d Interacting Tight-Binding Electrons: Mott Properties and Room Temperature Superconductivity Indications

    NASA Astrophysics Data System (ADS)

    Cabo Montes de Oca, A.; March, N. H.; Cabo-Bizet, A.

    2014-12-01

    Former results for a tight-binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main strongly correlated electron system (SCES) properties, when they are solved in the HF approximation, by also allowing crystal symmetry breaking effects and noncollinear spin orientations of the HF orbitals. It is argued how a simple 2D square lattice system of Coulomb interacting electrons can exhibit insulator gaps and pseudogap states, and quantum phase transitions as illustrated by the mentioned former works. A discussion is also presented here indicating the possibility of attaining room temperature superconductivity, by means of a surface coating with water molecules of cleaved planes of graphite, being orthogonal to its c-axis. The possibility that 2D arrays of quantum dots can give rise to the same effect is also proposed to consideration. The analysis also furnishes theoretical insight to solve the Mott-Slater debate, at least for the La2CuO4 and TMO band structures. The idea is to apply a properly noncollinear GW scheme to the electronic structure calculation of these materials. The fact is that the GW approach can be viewed as a HF procedure in which the screening polarization is also determined. This directly indicates the possibility of predicting the assumed dielectric constant in the previous works. Thus, the results seem to identify that the main correlation properties in these materials are determined by screening. Finally, the conclusions also seem to be of help for the description of the experimental observations of metal-insulator transitions and Mott properties in atoms trapped in planar photonic lattices.

  5. 2D NMR-based metabolomics uncovers interactions between conserved biochemical pathways in the model organism Caenorhabditis elegans.

    PubMed

    Izrayelit, Yevgeniy; Robinette, Steven L; Bose, Neelanjan; von Reuss, Stephan H; Schroeder, Frank C

    2013-02-15

    Ascarosides are small-molecule signals that play a central role in C. elegans biology, including dauer formation, aging, and social behaviors, but many aspects of their biosynthesis remain unknown. Using automated 2D NMR-based comparative metabolomics, we identified ascaroside ethanolamides as shunt metabolites in C. elegans mutants of daf-22, a gene with homology to mammalian 3-ketoacyl-CoA thiolases predicted to function in conserved peroxisomal lipid β-oxidation. Two groups of ethanolamides feature β-keto functionalization confirming the predicted role of daf-22 in ascaroside biosynthesis, whereas α-methyl substitution points to unexpected inclusion of methylmalonate at a late stage in the biosynthesis of long-chain fatty acids in C. elegans. We show that ascaroside ethanolamide formation in response to defects in daf-22 and other peroxisomal genes is associated with severe depletion of endocannabinoid pools. These results indicate unexpected interaction between peroxisomal lipid β-oxidation and the biosynthesis of endocannabinoids, which are major regulators of lifespan in C. elegans. Our study demonstrates the utility of unbiased comparative metabolomics for investigating biochemical networks in metazoans.

  6. 2D NMR-based metabolomics uncovers interactions between conserved biochemical pathways in the model organism Caenorhabditis elegans

    PubMed Central

    Izrayelit, Yevgeniy; Robinette, Steven L.; Bose, Neelanjan; von Reuss, Stephan H.; Schroeder, Frank C.

    2012-01-01

    Ascarosides are small-molecule signals that play a central role in C. elegans biology, including dauer formation, aging, and social behaviors, but many aspects of their biosynthesis remain unknown. Using automated 2D NMR-based comparative metabolomics, we identified ascaroside ethanolamides as shunt metabolites in C. elegans mutants of daf-22, a gene with homology to mammalian 3-ketoacyl-CoA thiolases predicted to function in conserved peroxisomal lipid β-oxidation. Two groups of ethanolamides feature β-keto functionalization confirming the predicted role of daf-22 in ascaroside biosynthesis, whereas α-methyl substitution points to unexpected inclusion of methylmalonte at a late stage in the biosynthesis of long-chain fatty acids in C. elegans. We show that ascaroside ethanolamide formation in response to defects in daf-22 and other peroxisomal genes is associated with severe depletion of endocannabinoid pools. These results indicate unexpected interaction between peroxisomal lipid β-oxidation and the biosynthesis of endocannabinoids, which are major regulators of lifespan in C. elegans. Our study demonstrates the utility of unbiased comparative metabolomics for investigating biochemical networks in metazoans. PMID:23163760

  7. Spin-Orbit Interaction in High-κ Dielectric Gated Rashba-2D Electron Gas and Mesoscopic Rings

    NASA Astrophysics Data System (ADS)

    Dai, Yanhua; Yuan, Zhuoquan; Stone, Kristjan; Du, Rui-Rui; Xu, Min; Ye, Peide

    2008-03-01

    There is increasing current interest in the quantum interference effect in mesoscopic devices fabricated on a Rashba-2D electron gas (2DEG), where the spin-orbit interaction parameters can be tuned by a potential gate. We explore ring structures that use a gate consisting of thin (5nm-50nm) high-κ dielectric Al2O3 or HfO2 layer and nano-patterned metals. The 2DEG is provided by lattice-matched In0.52Al0.48As/In0.53Ga0.47As/In0.52Al0.48As quantum wells that have a typical electron density n of 1.5x10^12/cm^2 and mobility μ>=2x10^4cm^2/Vs. The dielectric material was grown by atomic layer deposition. We will present the gate characteristics of Hall bars as well as magnetic transport data from gated mesoscopic rings. The work at Rice is funded by NSF DMR-0706634. Reference: M. Konig et al, Phys. Rev. Lett. 96, 076804 (2006); T. Bergsten et al, Phys. Rev. Lett. 97, 196803 (2006); B. Grbic et al, Phys. Rev. Lett. 99, 176803 (2007).

  8. Coriolis interaction of the ν12 and 2ν10 bands of ethylene-cis-1,2-d2 (cis-C2H2D2) by high-resolution FTIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Ng, L. L.; Tan, T. L.; Gabona, M. G.

    2015-10-01

    The spectrum of the A-type ν12 band of ethylene-cis-1,2-d2 (cis-C2H2D2) was recorded at an unapodized resolution of 0.0063 cm-1 in the wavenumber range of 1270-1410 cm-1. The band is perturbed through a c-type Coriolis resonance with the unobserved B-type 2ν10 band which is situated approximately 11 cm-1 below the ν12 band center. In this work, a total of 73 new infrared transitions of high J and Ka values of the ν12 band were identified and assigned for a rovibrational analysis. Finally, a total of 844 perturbed and unperturbed infrared transitions (including those previously reported) of ν12 were assigned and fitted using Watson's A-reduced Hamiltonian in the Ir representation with the inclusion of a second-order c-type Coriolis interaction term to derive a set of rovibrational constants of better accuracy for the ν12 = 1 state up to two sextic terms. Improved rotational and two quartic centrifugal distortion constants were also derived for the ν10 = 2 state of cis-C2H2D2 from the analysis of the Coriolis interaction between the two perturbing bands. The ν12 band is found to be centered at 1341.150877 ± 0.000088 cm-1 while that of 2ν10 is 1330.6360 ± 0.0113 cm-1. By fitting the infrared lines of ν12 with an rms deviation of 0.00067 cm-1, a second-order c-Coriolis coupling constant was accurately determined. A set of ground state rovibrational constants up to two sextic terms of comparable accuracy to those previously reported was also derived from a simultaneous fit of a total of 1728 ground state combination differences (GSCDs) from the infrared transitions of the present analysis and those of the ν7 band of cis-C2H2D2 together with 22 microwave transitions. The root-mean-square deviation of the GSCD fit was 0.00030 cm-1.

  9. Physical properties of core-concrete systems: Al2O3-ZrO2 molten materials measured by aerodynamic levitation

    NASA Astrophysics Data System (ADS)

    Ohishi, Yuji; Kargl, F.; Nakamori, F.; Muta, Hiroaki; Kurosaki, Ken; Yamanaka, Shinsuke

    2017-04-01

    During a molten core-concrete interaction, molten oxides consisting of molten core materials (UO2 and ZrO2) and concrete (Al2O3, SiO2, CaO) are formed. Reliable data on the physical properties of the molten oxides will allow us to accurately predict the progression of a nuclear reactor core meltdown accident. In this study, the viscosities and densities of molten (ZrO2)x(Al2O3)1-x (x = 0.356 and 0.172) were measured using an aerodynamic levitation technique. The densities of two small samples were estimated from their masses and their volumes (calculated from recorded images of the molten samples). The droplets were forced to oscillate using speakers, and their viscosities were evaluated from the damping behaviors of their oscillations. The results showed that the viscosity of molten (ZrO2)x(Al2O3)1-x compared to that of pure molten Al2O3 is 25% lower for x = 0.172, while it is unexpectedly 20% higher for x = 0.356.

  10. Complex Disease–, Gene–, and Drug–Drug Interactions: Impacts of Renal Function, CYP2D6 Phenotype, and OCT2 Activity on Veliparib Pharmacokinetics

    PubMed Central

    Li, Jing; Kim, Seongho; Sha, Xianyi; Wiegand, Richard; Wu, Jianmei; LoRusso, Patricia

    2014-01-01

    Purpose Veliparib, a poly (ADP-ribose) polymerase (PARP) inhibitor, undergoes renal excretion and liver metabolism. This study quantitatively assessed the interactions of veliparib with metabolizing enzyme (CYP2D6) and transporter (OCT2) in disease settings (renal impairment). Experimental Design Veliparib in vitro metabolism was examined in human liver microsomes and recombinant enzymes carrying wild-type CYP2D6 or functional defect variants (CYP2D6*10 and *4). Plasma pharmacokinetics were evaluated in 27 patients with cancer. A parent–metabolite joint population model was developed to characterize veliparib and metabolite (M8) pharmacokinetics and to identify patient factors influencing veliparib disposition. A physiologically based pharmacokinetic model integrated with a mechanistic kidney module was developed to quantitatively predict the individual and combined effects of renal function, CYP2D6 phenotype, and OCT2 activity on veliparib pharmacokinetics. Results In vitro intrinsic clearance of CYP2D6.1 and CYP2D6.10 for veliparib metabolism were 0.055 and 0.017 μL/min/pmol CYP, respectively. Population mean values for veliparib oral clearance and M8 clearance were 13.3 and 8.6 L/h, respectively. Creatinine clearance was identified as the significant covariate on veliparib oral clearance. Moderate renal impairment, CYP2D6 poor metabolizer, and co-administration of OCT2 inhibitor (cimetidine) increased veliparib steady-state exposure by 80%, 20%, and 30%, respectively. These factors collectively led to >2-fold increase in veliparib exposure. Conclusions Renal function (creatinine clearance) is a significant predictor for veliparib exposure in patients with cancer. Although a single factor (i.e., renal impairment, CYP2D6 deficiency, and reduced OCT2 activity) shows a moderate impact, they collectively could result in a significant and potentially clinically relevant increase in veliparib exposure. PMID:24947923

  11. Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs.

    PubMed

    Allain, Ariane; Chauvot de Beauchêne, Isaure; Langenfeld, Florent; Guarracino, Yann; Laine, Elodie; Tchertanov, Luba

    2014-01-01

    Allostery is a universal phenomenon that couples the information induced by a local perturbation (effector) in a protein to spatially distant regulated sites. Such an event can be described in terms of a large scale transmission of information (communication) through a dynamic coupling between structurally rigid (minimally frustrated) and plastic (locally frustrated) clusters of residues. To elaborate a rational description of allosteric coupling, we propose an original approach - MOdular NETwork Analysis (MONETA) - based on the analysis of inter-residue dynamical correlations to localize the propagation of both structural and dynamical effects of a perturbation throughout a protein structure. MONETA uses inter-residue cross-correlations and commute times computed from molecular dynamics simulations and a topological description of a protein to build a modular network representation composed of clusters of residues (dynamic segments) linked together by chains of residues (communication pathways). MONETA provides a brand new direct and simple visualization of protein allosteric communication. A GEPHI module implemented in the MONETA package allows the generation of 2D graphs of the communication network. An interactive PyMOL plugin permits drawing of the communication pathways between chosen protein fragments or residues on a 3D representation. MONETA is a powerful tool for on-the-fly display of communication networks in proteins. We applied MONETA for the analysis of communication pathways (i) between the main regulatory fragments of receptors tyrosine kinases (RTKs), KIT and CSF-1R, in the native and mutated states and (ii) in proteins STAT5 (STAT5a and STAT5b) in the phosphorylated and the unphosphorylated forms. The description of the physical support for allosteric coupling by MONETA allowed a comparison of the mechanisms of (a) constitutive activation induced by equivalent mutations in two RTKs and (b) allosteric regulation in the activated and non

  12. The Coriolis-interacting ν6 and ν4 bands of ethylene-cis-1,2-d2 (cis-C2H2D2) by high-resolution synchrotron Fourier transform infrared (FTIR) spectroscopy

    NASA Astrophysics Data System (ADS)

    Tan, T. L.; Gabona, M. G.; Wong, Andy; Appadoo, Dominique R. T.; McNaughton, Don

    2016-11-01

    The infrared spectrum of the ν6 band of ethylene-cis-1,2-d2 (cis-C2H2D2) was recorded at the Australian Synchrotron in the 980-1100 cm-1 region at an unapodized resolution of 0.00096 cm-1. Some of the transitions of the ν6 band centered at 1039.768335(30) cm-1 were perturbed by the upper energy levels of the infrared inactive ν4 band at 980.364(24) cm-1 by an a-type Coriolis interaction. Rovibrational analysis of a total of 941 unperturbed and perturbed infrared transitions of the ν6 band was carried out using an asymmetric rotor fitting program based on the Watson's A-reduced Hamiltonian in the Ir representation to derive up to 2 sextic constants for the ν6 = 1 state and 3 rotational constants (A, B, and C) for the ν4 = 1 state with a rms deviation of 0.00028 cm-1. From the perturbed analysis, the a-type Coriolis resonance parameter Z6,4a for the ν6 and ν4 interacting bands was determined to be 0.5249(14) cm-1. The band center and the rotational constants of the ν6 = 1 state were found to agree within 1% to the calculated values using B3LYP/cc-pVTZ and MP2/cc-pVTZ levels of theory. Furthermore, the a-type Coriolis coupling constant of these two bands derived from this work were compared to those experimentally determined previously and presently calculated.

  13. Pharmacokinetic interactions between monoamine oxidase A inhibitor harmaline and 5-methoxy-N,N-dimethyltryptamine, and the impact of CYP2D6 status.

    PubMed

    Jiang, Xi-Ling; Shen, Hong-Wu; Mager, Donald E; Yu, Ai-Ming

    2013-05-01

    5-Methoxy-N,N-dimethyltryptamine (5-MeO-DMT or street name "5-MEO") is a newer designer drug belonging to a group of naturally occurring indolealkylamines. Our recent study has demonstrated that coadministration of monoamine oxidase A (MAO-A) inhibitor harmaline (5 mg/kg) increases systemic exposure to 5-MeO-DMT (2 mg/kg) and active metabolite bufotenine. This study is aimed at delineating harmaline and 5-MeO-DMT pharmacokinetic (PK) interactions at multiple dose levels, as well as the impact of CYP2D6 that affects harmaline PK and determines 5-MeO-DMT O-demethylation to produce bufotenine. Our data revealed that inhibition of MAO-A-mediated metabolic elimination by harmaline (2, 5, and 15 mg/kg) led to a sharp increase in systemic and cerebral exposure to 5-MeO-DMT (2 and 10 mg/kg) at all dose combinations. A more pronounced effect on 5-MeO-DMT PK was associated with greater exposure to harmaline in wild-type mice than CYP2D6-humanized (Tg-CYP2D6) mice. Harmaline (5 mg/kg) also increased blood and brain bufotenine concentrations that were generally higher in Tg-CYP2D6 mice. Surprisingly, greater harmaline dose (15 mg/kg) reduced bufotenine levels. The in vivo inhibitory effect of harmaline on CYP2D6-catalyzed bufotenine formation was confirmed by in vitro study using purified CYP2D6. Given these findings, a unified PK model including the inhibition of MAO-A- and CYP2D6-catalyzed 5-MeO-DMT metabolism by harmaline was developed to describe blood harmaline, 5-MeO-DMT, and bufotenine PK profiles in both wild-type and Tg-CYP2D6 mouse models. This PK model may be further employed to predict harmaline and 5-MeO-DMT PK interactions at various doses, define the impact of CYP2D6 status, and drive harmaline-5-MeO-DMT pharmacodynamics.

  14. Investigation of CYP3A4 and CYP2D6 Interactions of Withania somnifera and Centella asiatica in Human Liver Microsomes.

    PubMed

    Savai, Jay; Varghese, Alice; Pandita, Nancy; Chintamaneni, Meena

    2015-05-01

    Withania somnifera is commonly used as a rejuvenator, whereas Centella asiatica is well known for its anxiolytic and nootropic effects. The present study aims at investigating the effect of crude extracts and principal phytoconstituents of both the medicinal plants with CYP3A4 and CYP2D6 enzyme activity in human liver microsomes (HLM). Phytoconstituents were quantified in the crude extracts of both the medicinal plants using reverse phase HPLC. Crude extracts and phytoconstituents of W. somnifera showed no significant interaction with both CYP3A4 and CYP2D6 enzymes in HLM. Of the crude extracts of C. asiatica screened in vitro, methanolic extract showed potent noncompetitive inhibition of only CYP3A4 enzyme (Ki-64.36 ± 1.82 µg/mL), whereas ethanol solution extract showed potent noncompetitive inhibition of only CYP2D6 enzyme (Ki-36.3 ± 0.44 µg/mL). The flavonoids, quercetin, and kaempferol showed potent (IC50 values less than 100 μM) inhibition of CYP3A4 activity, whereas quercetin alone showed potent inhibition of CYP2D6 activity in HLM. Because methanolic extract of C. asiatica showed a relatively high percentage content of quercetin and kaempferol than ethanol solution extract, the inhibitory effect of methanolic extract on CYP3A4 enzyme activity could be attributed to the flavonoids. Thus, co-administration of the alcoholic extracts of C. asiatica with drugs that are substrates of CYP3A4 and CYP2D6 enzymes may lead to undesirable herb-drug interactions in humans.

  15. Acousto-exciton interaction in a gas of 2D indirect dipolar excitons in the presence of disorder

    NASA Astrophysics Data System (ADS)

    Kovalev, V. M.; Chaplik, A. V.

    2016-03-01

    A theory for the linear and quadratic responses of a 2D gas of indirect dipolar excitons to an external surface acoustic wave perturbation in the presence of a static random potential is considered. The theory is constructed both for high temperatures, definitely greater than the exciton gas condensation temperature, and at zero temperature by taking into account the Bose-Einstein condensation effects. The particle Green functions, the density-density correlation function, and the quadratic response function are calculated by the "cross" diagram technique. The results obtained are used to calculate the absorption of Rayleigh surface waves and the acoustic exciton gas drag by a Rayleigh wave. The damping of Bogoliubov excitations in an exciton condensate due to theirs scattering by a random potential has also been determined.

  16. In silico study on the inhibitory interaction of drugs with wild-type CYP2D6.1 and the natural variant CYP2D6.17.

    PubMed

    Handa, Koichi; Nakagome, Izumi; Yamaotsu, Noriyuki; Gouda, Hiroaki; Hirono, Shuichi

    2014-01-01

    The natural variant of the cytochrome P450 enzyme CYP2D6.1, CYP2D6.17, is most common in African populations, has three amino acid substitutions (T107I, R296C, and S486T) compared to the wild-type, and is known to have a different ligand preference from CYP2D6.1. It is becoming increasingly important to understand differences in the metabolism of medicines in different ethnic groups in order to assess the relevance of clinical data from different countries. This study investigated differences in the inhibition profiles of drugs for CYP2D6 with respect to gene polymorphisms. Firstly, we used computer docking with six drugs to several CYP2D6.1 structures, sampled from the trajectory of MD simulations, and calculated MM-GB/SA scores representing binding free energies. We then used regression analysis to predict the potency with which drugs inhibited CYP2D6.1 based on MM-GB/SA scores. The pKi-values obtained were in good agreement with experimental values measured for the six drugs (r(2) = 0.81). We carried out the same analysis for CYP2D6.17 and the pKi-values calculated were also in good agreement with experimental values (r(2) = 0.92). Finally, we were able to successfully explain the different abilities of CYP2D6.1 and CYP2D6.17 to metabolize drugs in different ethnic groups with reference to their 3D-structures.

  17. Interaction Between Tropical Convection and its Embedding Environment: An Energetics Analysis of a 2-D Cloud Resolving Simulation

    NASA Technical Reports Server (NTRS)

    Li, Xiaofan; Sui, C.-H.; Lau, K.-M.

    1999-01-01

    The phase relation between the perturbation kinetic energy (K') associated with the tropical convection and the horizontal-mean moist available potential energy (bar-P) associated with environmental conditions is investigated by an energetics analysis of a numerical experiment. This experiment is performed using a 2-D cloud resolving model forced by the TOGA-COARE derived vertical velocity. The imposed upward motion leads to a decrease of bar-P directly through the associated vertical advective cooling, and to an increase of K' directly through cloud related processes, feeding the convection. The maximum K' and its maximum growth rate lags and leads, respectively, the maximum imposed large-scale upward motion by about 1-2 hours, indicating that convection is phase locked with large-scale forcing. The dominant life cycle of the simulated convection is about 9 hours, whereas the time scales of the imposed large-scale forcing are longer than the diurnal cycle. In the convective events, maximum growth of K' leads maximum decay of the perturbation moist available potential energy (P') by about 3 hours through vertical heat transport by perturbation circulation, and perturbation cloud heating. Maximum decay of P' leads maximum decay of bar-P by about one hour through the perturbation radiative, processes, the horizontal-mean cloud heating, and the large-scale vertical advective cooling. Therefore, maximum gain of K' occurs about 4-5 hours before maximum decay of bar-P.

  18. Coupled 2-dimensional cascade theory for noise an d unsteady aerodynamics of blade row interaction in turbofans. Volume 2: Documentation for computer code CUP2D

    NASA Technical Reports Server (NTRS)

    Hanson, Donald B.

    1994-01-01

    A two dimensional linear aeroacoustic theory for rotor/stator interaction with unsteady coupling was derived and explored in Volume 1 of this report. Computer program CUP2D has been written in FORTRAN embodying the theoretical equations. This volume (Volume 2) describes the structure of the code, installation and running, preparation of the input file, and interpretation of the output. A sample case is provided with printouts of the input and output. The source code is included with comments linking it closely to the theoretical equations in Volume 1.

  19. Uncertainty Assessments of 2D and Axisymmetric Hypersonic Shock Wave - Turbulent Boundary Layer Interaction Simulations at Compression Corners

    NASA Technical Reports Server (NTRS)

    Gnoffo, Peter A.; Berry, Scott A.; VanNorman, John W.

    2011-01-01

    This paper is one of a series of five papers in a special session organized by the NASA Fundamental Aeronautics Program that addresses uncertainty assessments for CFD simulations in hypersonic flow. Simulations of a shock emanating from a compression corner and interacting with a fully developed turbulent boundary layer are evaluated herein. Mission relevant conditions at Mach 7 and Mach 14 are defined for a pre-compression ramp of a scramjet powered vehicle. Three compression angles are defined, the smallest to avoid separation losses and the largest to force a separated flow engaging more complicated flow physics. The Baldwin-Lomax and the Cebeci-Smith algebraic models, the one-equation Spalart-Allmaras model with the Catrix-Aupoix compressibility modification and two-equation models including Menter SST, Wilcox k-omega 98, and Wilcox k-omega 06 turbulence models are evaluated. Each model is fully defined herein to preclude any ambiguity regarding model implementation. Comparisons are made to existing experimental data and Van Driest theory to provide preliminary assessment of model form uncertainty. A set of coarse grained uncertainty metrics are defined to capture essential differences among turbulence models. Except for the inability of algebraic models to converge for some separated flows there is no clearly superior model as judged by these metrics. A preliminary metric for the numerical component of uncertainty in shock-turbulent-boundary-layer interactions at compression corners sufficiently steep to cause separation is defined as 55%. This value is a median of differences with experimental data averaged for peak pressure and heating and for extent of separation captured in new, grid-converged solutions presented here. This value is consistent with existing results in a literature review of hypersonic shock-turbulent-boundary-layer interactions by Roy and Blottner and with more recent computations of MacLean.

  20. 2D Computational Fluid Dynamic Modeling of Human Ventricle System Based on Fluid-Solid Interaction and Pulsatile Flow.

    PubMed

    Masoumi, Nafiseh; Framanzad, F; Zamanian, Behnam; Seddighi, A S; Moosavi, M H; Najarian, S; Bastani, Dariush

    2013-01-01

    Many diseases are related to cerebrospinal fluid (CSF) hydrodynamics. Therefore, understanding the hydrodynamics of CSF flow and intracranial pressure is helpful for obtaining deeper knowledge of pathological processes and providing better treatments. Furthermore, engineering a reliable computational method is promising approach for fabricating in vitro models which is essential for inventing generic medicines. A Fluid-Solid Interaction (FSI)model was constructed to simulate CSF flow. An important problem in modeling the CSF flow is the diastolic back flow. In this article, using both rigid and flexible conditions for ventricular system allowed us to evaluate the effect of surrounding brain tissue. Our model assumed an elastic wall for the ventricles and a pulsatile CSF input as its boundary conditions. A comparison of the results and the experimental data was done. The flexible model gave better results because it could reproduce the diastolic back flow mentioned in clinical research studies. The previous rigid models have ignored the brain parenchyma interaction with CSF and so had not reported the back flow during the diastolic time. In this computational fluid dynamic (CFD) analysis, the CSF pressure and flow velocity in different areas were concordant with the experimental data.

  1. 2D Computational Fluid Dynamic Modeling of Human Ventricle System Based on Fluid-Solid Interaction and Pulsatile Flow

    PubMed Central

    Masoumi, Nafiseh; Framanzad, F.; Zamanian, Behnam; Seddighi, A.S.; Moosavi, M.H.; Najarian, S.; Bastani, Dariush

    2013-01-01

    Many diseases are related to cerebrospinal fluid (CSF) hydrodynamics. Therefore, understanding the hydrodynamics of CSF flow and intracranial pressure is helpful for obtaining deeper knowledge of pathological processes and providing better treatments. Furthermore, engineering a reliable computational method is promising approach for fabricating in vitro models which is essential for inventing generic medicines. A Fluid-Solid Interaction (FSI)model was constructed to simulate CSF flow. An important problem in modeling the CSF flow is the diastolic back flow. In this article, using both rigid and flexible conditions for ventricular system allowed us to evaluate the effect of surrounding brain tissue. Our model assumed an elastic wall for the ventricles and a pulsatile CSF input as its boundary conditions. A comparison of the results and the experimental data was done. The flexible model gave better results because it could reproduce the diastolic back flow mentioned in clinical research studies. The previous rigid models have ignored the brain parenchyma interaction with CSF and so had not reported the back flow during the diastolic time. In this computational fluid dynamic (CFD) analysis, the CSF pressure and flow velocity in different areas were concordant with the experimental data. PMID:25337330

  2. Social Security and divorce or death benefits storyboard (S(2)D(2)BS): an interactive participant learning exercise.

    PubMed

    Brown, Pamela Pitman

    2014-01-01

    Using the concept of an interactive or living storyboard, the author discusses the use of seven case narratives constructed for the sole purpose of teaching introductory gerontology or geriatric students about the distribution of Social Security benefits after spousal death. Additional information is included pertaining to Social Security benefits payable to divorced persons after the death of the former spouse, including the status of married same-sex couples. Narratives include representations of a male breadwinner model couple, a two-earner couple who have similar/dissimilar earnings prior to retirement, a divorced couple with a remarriage after a death, a gay couple with and without children, and a female primary breadwinner couple. Updated information from the Social Security Administration, as well as information on game preparation, scripts, and debriefing questions are included.

  3. On Parametric Sensitivity of Reynolds-Averaged Navier-Stokes SST Turbulence Model: 2D Hypersonic Shock-Wave Boundary Layer Interactions

    NASA Technical Reports Server (NTRS)

    Brown, James L.

    2014-01-01

    Examined is sensitivity of separation extent, wall pressure and heating to variation of primary input flow parameters, such as Mach and Reynolds numbers and shock strength, for 2D and Axisymmetric Hypersonic Shock Wave Turbulent Boundary Layer interactions obtained by Navier-Stokes methods using the SST turbulence model. Baseline parametric sensitivity response is provided in part by comparison with vetted experiments, and in part through updated correlations based on free interaction theory concepts. A recent database compilation of hypersonic 2D shock-wave/turbulent boundary layer experiments extensively used in a prior related uncertainty analysis provides the foundation for this updated correlation approach, as well as for more conventional validation. The primary CFD method for this work is DPLR, one of NASA's real-gas aerothermodynamic production RANS codes. Comparisons are also made with CFL3D, one of NASA's mature perfect-gas RANS codes. Deficiencies in predicted separation response of RANS/SST solutions to parametric variations of test conditions are summarized, along with recommendations as to future turbulence approach.

  4. Interactions by 2D Gel Electrophoresis Overlap (iGEO): a novel high fidelity approach to identify constituents of protein complexes

    PubMed Central

    2013-01-01

    Background Here we describe a novel approach used to identify the constituents of protein complexes with high fidelity, using the integrin-associated scaffolding protein PINCH as a test case. PINCH is comprised of five LIM domains, zinc-finger protein interaction modules. In Drosophila melanogaster, PINCH has two known high-affinity binding partners—Integrin-linked kinase (ILK) that binds to LIM1 and Ras Suppressor 1 (RSU1) that binds to LIM5—but has been postulated to bind additional proteins as well. Results To purify PINCH complexes, in parallel we fused different affinity tags (Protein A and Flag) to different locations within the PINCH sequence (N- and C-terminus). We expressed these tagged versions of PINCH both in cell culture (overexpressed in Drosophila S2 cell culture in the presence of endogenous PINCH) and in vivo (at native levels in Drosophila lacking endogenous PINCH). After affinity purification, we analyzed PINCH complexes by a novel 2D-gel electrophoresis analysis, iGEO (interactions by 2D Gel Electrophoresis Overlap), with mass spectrometric identification of individual spots of interest. iGEO allowed the identification of protein partners that associate with PINCH under two independent purification strategies, providing confidence in the significance of the interaction. Proteins identified by iGEO were validated against a highly inclusive list of candidate PINCH interacting proteins identified in previous analyses by MuDPIT mass spectrometry. Conclusions The iGEO strategy confirmed a core complex comprised of PINCH, RSU1, ILK, and ILK binding partner Parvin. Our iGEO method also identified five novel protein partners that specifically interacted with PINCH in Drosophila S2 cell culture. Because of the improved reproducibility of 2D-GE methodology and the increasing affordability of the required labeling reagents, iGEO is a method that is accessible to most moderately well-equipped biological laboratories. The biochemical co

  5. Overexpression of LLT1 (OCIL, CLEC2D) on prostate cancer cells inhibits NK cell-mediated killing through LLT1-NKRP1A (CD161) interaction.

    PubMed

    Mathew, Stephen O; Chaudhary, Pankaj; Powers, Sheila B; Vishwanatha, Jamboor K; Mathew, Porunelloor A

    2016-10-18

    Prostate cancer is the most common type of cancer diagnosed and the second leading cause of cancer-related death in American men. Natural Killer (NK) cells are the first line of defense against cancer and infections. NK cell function is regulated by a delicate balance between signals received through activating and inhibitory receptors. Previously, we identified Lectin-like transcript-1 (LLT1/OCIL/CLEC2D) as a counter-receptor for the NK cell inhibitory receptor NKRP1A (CD161). Interaction of LLT1 expressed on target cells with NKRP1A inhibits NK cell activation. In this study, we have found that LLT1 was overexpressed on prostate cancer cell lines (DU145, LNCaP, 22Rv1 and PC3) and in primary prostate cancer tissues both at the mRNA and protein level. We further showed that LLT1 is retained intracellularly in normal prostate cells with minimal cell surface expression. Blocking LLT1 interaction with NKRP1A by anti-LLT1 mAb on prostate cancer cells increased the NK-mediated cytotoxicity of prostate cancer cells. The results indicate that prostate cancer cells may evade immune attack by NK cells by expressing LLT1 to inhibit NK cell-mediated cytolytic activity through LLT1-NKRP1A interaction. Blocking LLT1-NKRP1A interaction will make prostate cancer cells susceptible to killing by NK cells and therefore may be a new therapeutic option for treatment of prostate cancer.

  6. Natural killer cells recognize friend retrovirus-infected erythroid progenitor cells through NKG2D-RAE-1 interactions In Vivo.

    PubMed

    Ogawa, Tatsuya; Tsuji-Kawahara, Sachiyo; Yuasa, Takae; Kinoshita, Saori; Chikaishi, Tomomi; Takamura, Shiki; Matsumura, Haruo; Seya, Tsukasa; Saga, Toshihiko; Miyazawa, Masaaki

    2011-06-01

    Natural killer (NK) cells function as early effector cells in the innate immune defense against viral infections and also participate in the regulation of normal and malignant hematopoiesis. NK cell activities have been associated with early clearance of viremia in experimental simian immunodeficiency virus and clinical human immunodeficiency virus type 1 (HIV-1) infections. We have previously shown that NK cells function as major cytotoxic effector cells in vaccine-induced immune protection against Friend virus (FV)-induced leukemia, and NK cell depletion totally abrogates the above protective immunity. However, how NK cells recognize retrovirus-infected cells remains largely unclear. The present study demonstrates a correlation between the expression of the products of retinoic acid early transcript-1 (RAE-1) genes in target cells and their susceptibility to killing by NK cells isolated from FV-infected animals. This killing was abrogated by antibodies blocking the NKG2D receptor in vitro. Further, the expression of RAE-1 proteins on erythroblast surfaces increased early after FV inoculation, and administration of an RAE-1-blocking antibody resulted in increased spleen infectious centers and exaggerated pathology, indicating that FV-infected erythroid cells are recognized by NK cells mainly through the NKG2D-RAE-1 interactions in vivo. Enhanced retroviral replication due to host gene-targeting resulted in markedly increased RAE-1 expression in the absence of massive erythroid cell proliferation, indicating a direct role of retroviral replication in RAE-1 upregulation.

  7. Xanthomonas citri subsp. citri surface proteome by 2D-DIGE: Ferric enterobactin receptor and other outer membrane proteins potentially involved in citric host interaction.

    PubMed

    Carnielli, Carolina Moretto; Artier, Juliana; de Oliveira, Julio Cezar Franco; Novo-Mansur, Maria Teresa Marques

    2017-01-16

    Xanthomonas citri subsp. citri (XAC) is the causative agent of citrus canker, a disease of great economic impact around the world. Understanding the role of proteins on XAC cellular surface can provide new insights on pathogen-plant interaction. Surface proteome was performed in XAC grown in vivo (infectious) and in vitro (non-infectious) conditions, by labeling intact cells followed by cellular lysis and direct 2D-DIGE analysis. Seventy-nine differential spots were analyzed by mass spectrometry. Highest relative abundance for in vivo condition was observed for spots containing DnaK protein, 60kDa chaperonin, conserved hypothetical proteins, malate dehydrogenase, phosphomannose isomerase, and ferric enterobactin receptors. Elongation factor Tu, OmpA-related proteins, Oar proteins and some Ton-B dependent receptors were found in spots decreased in vivo. Some proteins identified on XAC's surface in infectious condition and predicted to be cytoplasmic, such as DnaK and 60KDa chaperonin, have also been previously found at cellular surface in other microorganisms. This is the first study on XAC surface proteome and results point to mediation of molecular chaperones in XAC-citrus interaction. The approach utilized here can be applied to other pathogen-host interaction systems and help to achieve new insights in bacterial pathogenicity toward promising targets of biotechnological interest.

  8. NeuroMap: A Spline-Based Interactive Open-Source Software for Spatiotemporal Mapping of 2D and 3D MEA Data.

    PubMed

    Abdoun, Oussama; Joucla, Sébastien; Mazzocco, Claire; Yvert, Blaise

    2011-01-01

    A major characteristic of neural networks is the complexity of their organization at various spatial scales, from microscopic local circuits to macroscopic brain-scale areas. Understanding how neural information is processed thus entails the ability to study them at multiple scales simultaneously. This is made possible using microelectrodes array (MEA) technology. Indeed, high-density MEAs provide large-scale coverage (several square millimeters) of whole neural structures combined with microscopic resolution (about 50 μm) of unit activity. Yet, current options for spatiotemporal representation of MEA-collected data remain limited. Here we present NeuroMap, a new interactive Matlab-based software for spatiotemporal mapping of MEA data. NeuroMap uses thin plate spline interpolation, which provides several assets with respect to conventional mapping methods used currently. First, any MEA design can be considered, including 2D or 3D, regular or irregular, arrangements of electrodes. Second, spline interpolation allows the estimation of activity across the tissue with local extrema not necessarily at recording sites. Finally, this interpolation approach provides a straightforward analytical estimation of the spatial Laplacian for better current sources localization. In this software, coregistration of 2D MEA data on the anatomy of the neural tissue is made possible by fine matching of anatomical data with electrode positions using rigid-deformation-based correction of anatomical pictures. Overall, NeuroMap provides substantial material for detailed spatiotemporal analysis of MEA data. The package is distributed under GNU General Public License and available at http://sites.google.com/site/neuromapsoftware.

  9. In vitro metabolism of the opioid tilidine and interaction of tilidine and nortilidine with CYP3A4, CYP2C19, and CYP2D6.

    PubMed

    Weiss, Johanna; Sawa, Evelyn; Riedel, Klaus-Dieter; Haefeli, Walter Emil; Mikus, Gerd

    2008-09-01

    Tilidine is one of the most widely used narcotics in Germany and Belgium. The compound's active metabolite nortilidine easily penetrates the blood-brain barrier and activates the mu-opioid receptor. Thus far, the enzymes involved in tilidine metabolism are unknown. Therefore, the aim of our study was to identify the cytochrome P450 isozymes (CYPs) involved in N-demethylation of tilidine in vitro. We used human liver microsomes as well as recombinant CYPs to investigate the demethylation of tilidine to nortilidine and quantified nortilidine by liquid chromatography-tandem mass spectrometry. Inhibition of CYPs was quantified with commercial kits. Moreover, inhibition of ABCB1 and ABCG2 was investigated. Our results demonstrated that N-demethylation of tilidine to nortilidine followed a Michaelis-Menten kinetic with a K(m) value of 36 +/- 13 microM and a v(max) value of 85 +/- 18 nmol/mg/h. This metabolic step was inhibited by CYP3A4 and CYP2C19 inhibitors. Investigations with recombinant CYP3A4 and CYP2C19 confirmed that the demethylation of tilidine occurs via these two CYPs. Inhibition assays demonstrated that tilidine and nortilidine can also inhibit CYP3A4, CYP2C19, CYP2D6, ABCB1, but not ABCG2, whereas inhibition of CYP2D6 and possibly also of CYP3A4 might be clinically relevant. By calculating the metabolic clearance based on the in vitro and published in vivo data, CYP3A4 and CYP2C19 were identified as the main elimination routes of tilidine. In vivo, drug-drug interactions of tilidine with CYP3A4 or CYP2C19 inhibitors are to be anticipated, whereas substrates of CYP2C19, ABCB1, or ABCG2 will presumably not be influenced by tilidine or nortilidine.

  10. The interaction of CCl4 with Ng (Ng = He, Ne, Ar), O2, D2O and ND3: rovibrational energies, spectroscopic constants and theoretical calculations.

    PubMed

    de Oliveira, Rhuiago M; Roncaratti, Luiz F; de Macedo, Luiz Guilherme M; Gargano, Ricardo

    2017-03-01

    This investigation generated rovibrational energies and spectroscopic constants for systems of CCl4 with Ng (Ng = He, Ne, Ar), O2, D2O and ND3 from scattering experimental data, and the results presented are of interest for microwave spectroscopy studies of small halogenated molecules. The rovibrational spectra were obtained through two different approaches (Dunham and DVR) within the improved Lennard Jones (ILJ) model. Spectra were also generated within ordinary Lennard Jones and deviations suggest that the ILJ model should be preferred due to interactions beyond dispersion forces presented in these systems. Data from the literature and additional high level quantum mechanical calculations presented in this work show that these systems should not be considered as van der Waals complexes due to halogen bonding (HB) interactions, and this is especially true for the CCl4-D2O and CCl4-ND3 complexes. The charge displacement from the latter systems are one order of magnitude higher than the values from literature for CCl4 and He, Ne, Ar and O2 systems, and show significant deviations between DFT and Hartree-Fock values not previously reported in the literature.

  11. Interaction between serotonin transporter and dopamine D2/D3 receptor radioligand measures is associated with harm avoidant symptoms in anorexia and bulimia nervosa

    PubMed Central

    Bailer, Ursula F.; Frank, Guido K.; Price, Julie C.; Meltzer, Carolyn C.; Becker, Carl; Mathis, Chester A.; Wagner, Angela; Barbarich-Marsteller, Nicole C.; Bloss, Cinnamon S.; Putnam, Karen; Schork, Nicholas J.; Gamst, Anthony; Kaye, Walter H.

    2013-01-01

    Rationale Individuals with anorexia nervosa (AN) and bulimia nervosa (BN) have alterations of measures of serotonin (5-HT) and dopamine (DA) function, which persist after long-term recovery and are associated with elevated harm avoidance (HA), a measure of anxiety and behavioral inhibition. Objective Based on theories that 5-HT is an aversive motivational system that may oppose a DA-related appetitive system, we explored interactions of positron emission tomography (PET) radioligand measures that reflect portions of these systems. Methods Twenty-seven individuals recovered (REC) from eating disorders (EDs) (7 AN-BN, 11 AN, 9 BN) and 9 control women (CW) were analyzed for correlations between [11C]McN5652 and [11C]raclopride binding. Results There was a positive correlation between [11C]McN5652 binding potential BPnon displaceable(ND)) and [11C]raclopride BPND for the dorsal caudate (r(27) = .62; p < .001), antero-ventral striatum (r(27) = .55, p = .003), middle caudate (r(27) = .68; p < .001), ventral (r(27) = .64; p < .001) and dorsal putamen (r(27) = .42; p = .03). No significant correlations were found in CW. [11C]raclopride BPND, but not [11C]McN5652 BPND, was significantly related to HA in REC EDs. A linear regression analysis showed that the interaction between [11C]McN5652 BPND and [11C]raclopride BPND in the dorsal putamen significantly (b = 140.04; t (22) = 2.21; p = .04) predicted HA. Conclusions This is the first study using PET and the radioligands [11C]McN5652 and [11C]raclopride to show a direct relationship between 5-HT transporter and striatal DA D2/D3 receptor binding in humans, supporting the possibility that 5-HT and DA interactions contribute to HA behaviors in EDs. PMID:23154100

  12. Prediction of Metabolic Interactions With Oxycodone via CYP2D6 and CYP3A Inhibition Using a Physiologically Based Pharmacokinetic Model

    PubMed Central

    Marsousi, N; Daali, Y; Rudaz, S; Almond, L; Humphries, H; Desmeules, J; Samer, C F

    2014-01-01

    Evaluation of a potential risk of metabolic drug–drug interactions (DDI) is of high importance in the clinical setting. In this study, a physiologically based pharmacokinetic (PBPK) model was developed for oxycodone and its two primary metabolites, oxymorphone and noroxycodone, in order to assess different DDI scenarios using published in vitro and in vivo data. Once developed and refined, the model was able to simulate pharmacokinetics of the three compounds and the DDI extent in case of coadministration with an inhibitor, as well as the oxymorphone concentration variation between CYP2D6 extensive metabolizers (EM) and poor metabolizers (PM). The reliability of the model was tested against published clinical studies monitoring different inhibitors and dose regimens, and all predicted area under the concentration–time curve (AUC) ratios were within the twofold acceptance range. This approach represents a strategy to evaluate the impact of coadministration of different CYP inhibitors using mechanistic incorporation of drug-dependent and system-dependent available in vitro and in vivo data. PMID:25518025

  13. Grid-Free 2D Plasma Simulations of the Complex Interaction Between the Solar Wind and Small, Near-Earth Asteroids

    NASA Technical Reports Server (NTRS)

    Zimmerman, M. I.; Farrell, W. M.; Poppe, A. R.

    2014-01-01

    We present results from a new grid-free 2D plasma simulation code applied to a small, unmagnetized body immersed in the streaming solar wind plasma. The body was purposely modeled as an irregular shape in order to examine photoemission and solar wind plasma flow in high detail on the dayside, night-side, terminator and surface-depressed 'pocket' regions. Our objective is to examine the overall morphology of the various plasma interaction regions that form around a small body like a small near-Earth asteroid (NEA). We find that the object obstructs the solar wind flow and creates a trailing wake region downstream, which involves the interplay between surface charging and ambipolar plasma expansion. Photoemission is modeled as a steady outflow of electrons from illuminated portions of the surface, and under direct illumination the surface forms a non-monotonic or ''double-sheath'' electric potential upstream of the body, which is important for understanding trajectories and equilibria of lofted dust grains in the presence of a complex asteroid geometry. The largest electric fields are found at the terminators, where ambipolar plasma expansion in the body-sized night-side wake merges seamlessly with the thin photoelectric sheath on the dayside. The pocket regions are found to be especially complex, with nearby sunlit regions of positive potential electrically connected to unlit negative potentials and forming adjacent natural electric dipoles. For objects near the surface, we find electrical dissipation times (through collection of local environmental solar wind currents) that vary over at least 5 orders of magnitude: from 39 Micro(s) inside the near-surface photoelectron cloud under direct sunlight to less than 1 s inside the particle-depleted night-side wake and shadowed pocket regions

  14. CD3(+) CD8(+) NKG2D(+) T Lymphocytes Induce Apoptosis and Necroptosis in HLA-negative Cells via FasL-Fas Interaction.

    PubMed

    Ivanova, O K; Sharapova, T N; Romanova, E A; Sashchenko, L P; Yashin, D V

    2017-03-15

    An important problem in cellular immunology is to identify new populations of cytotoxic lymphocytes capable of killing tumor cells that have lost classical components of MHC-machinery and to understand mechanisms of the death of these cells. We have previously found that CD4(+) CD25(+) lymphocytes appear in the lymphokine-activated killer (LAK) cell culture, which carry Tag7 (PGRP-S) and FasL proteins on their surface and can kill Hsp70- and Fas-expressing HLA-negative cells. In this work, we have continued to study the mechanisms of killing of the HLA-negative tumor cells, focusing this time on the CD8+ lymphocytes. We show that after a tumor antigen contact the IL-2 activated CD8+ lymphocytes acquire ability to lyse tumor cells bearing this antigen. However, activation of the CD8+ lymphocytes in the absence of antigen causes appearance of a cytotoxic population of CD8 + NKG2D+ lymphocytes, which are able to lyse HLA-negative cancer cells that have lost the classic mechanism of antigen presentation. These cells recognize the noncanonical MicA antigen on the surface of HLA-negative K562 cells but kill them via the FasL-Fas interaction, as do cytotoxic T lymphocytes. FasL presented on the lymphocyte surface can trigger both apoptosis and necroptosis. Unlike in the case of TNFR1, another cell death receptor, no switching to alternative processes has been observed upon induction of Fas-dependent cell death. It may well be that the apoptotic and necroptotic signals are transduced separately in the latter case, with the ability of FasL(+) lymphocytes to induce necroptosis allowing them to kill tumor cells that escape apoptosis. This article is protected by copyright. All rights reserved.

  15. Weakly Bound and Strongly Interacting: NbSe2 and 1T-TaS2 in the 2D Limit

    NASA Astrophysics Data System (ADS)

    Tsen, Adam

    The layered metallic dichalcogenides are known to exhibit rich collective electron phases such as charge density waves, spin density waves, and superconductivity. In the past, studies on graphene and various semiconducting dichalcogenides have shown that taking layered materials to their physical two-dimensional (2D) limit leads to fundamental changes in band structure, allowing for a powerful experimental knob to tune for electronic functionality. In contrast, due to their instability in the ambient environment, the effect of thickness control over such collective electron phases has been largely unexplored in metallic systems. We have recently demonstrated a new experimental platform for the isolation and assembly of environmentally sensitive 2D materials in inert atmosphere. I will discuss our recent studies of the charge density wave material 1T-TaS2 and superconducting NbSe2 in the atomically thin limit, made possible using this technique. For 1T-TaS2, we find that the lock-in transition to commensurate charge ordering becomes increasingly metastable for reduced thickness, allowing for all-electrical control over this phase transition in the 2D state. In NbSe2, a small magnetic field induces a transition to a quantum metallic phase, the resistivity of which obeys a unique field-scaling property. These methods and experiments open new doors for the study of other correlated 2D materials in the immediate future.

  16. Vertical 2D Heterostructures

    NASA Astrophysics Data System (ADS)

    Lotsch, Bettina V.

    2015-07-01

    Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.

  17. 2D semiconductor optoelectronics

    NASA Astrophysics Data System (ADS)

    Novoselov, Kostya

    The advent of graphene and related 2D materials has recently led to a new technology: heterostructures based on these atomically thin crystals. The paradigm proved itself extremely versatile and led to rapid demonstration of tunnelling diodes with negative differential resistance, tunnelling transistors, photovoltaic devices, etc. By taking the complexity and functionality of such van der Waals heterostructures to the next level we introduce quantum wells engineered with one atomic plane precision. Light emission from such quantum wells, quantum dots and polaritonic effects will be discussed.

  18. 2D quasiperiodic plasmonic crystals

    PubMed Central

    Bauer, Christina; Kobiela, Georg; Giessen, Harald

    2012-01-01

    Nanophotonic structures with irregular symmetry, such as quasiperiodic plasmonic crystals, have gained an increasing amount of attention, in particular as potential candidates to enhance the absorption of solar cells in an angular insensitive fashion. To examine the photonic bandstructure of such systems that determines their optical properties, it is necessary to measure and model normal and oblique light interaction with plasmonic crystals. We determine the different propagation vectors and consider the interaction of all possible waveguide modes and particle plasmons in a 2D metallic photonic quasicrystal, in conjunction with the dispersion relations of a slab waveguide. Using a Fano model, we calculate the optical properties for normal and inclined light incidence. Comparing measurements of a quasiperiodic lattice to the modelled spectra for angle of incidence variation in both azimuthal and polar direction of the sample gives excellent agreement and confirms the predictive power of our model. PMID:23209871

  19. Coriolis interaction of the ν2 + ν12 band with ν2 + 2ν10 of cis-C2H2D2 by high resolution FTIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Gabona, M. G.; Tan, T. L.

    2014-05-01

    The high resolution Fourier transform infrared (FTIR) absorption spectrum of the ν2 + ν12 band of cis-C2H2D2 was recorded in the frequency range of 2515-2960 cm-1 with an unapodized resolution of 0.0063 cm-1. This band was perturbed through c-type Coriolis interaction by the unobserved ν2 + 2ν10 band approximately 19 cm-1 below ν2 + ν12. A total of 751 unperturbed and perturbed infrared transitions of ν2 + ν12 were assigned and fitted using Watson's A-reduced Hamiltonian in the Ir representation with the inclusion of c-type Coriolis terms to give 11 rovibrational constants for the upper state (ν2 = 1, ν12 = 1) with improved accuracy. The ν2 + ν12A-type band is centred at 2898.8975 ± 0.0004 cm-1. From the Coriolis interaction analysis between the ν2 + ν12 and ν2 + 2ν10 bands of cis-C2H2D2, a higher order K-dependent c-type Coriolis coupling constant between the two bands was derived for the first time. Furthermore, rotational constants for the ν2 + 2ν10 band of cis-C2H2D2 centred at 2880.17 ± 0.06 cm-1 were also determined.

  20. Strengthening of Ceramic-based Artificial Nacre via Synergistic Interactions of 1D Vanadium Pentoxide and 2D Graphene Oxide Building Blocks

    NASA Astrophysics Data System (ADS)

    Knöller, Andrea; Lampa, Christian P.; Cube, Felix Von; Zeng, Tingying Helen; Bell, David C.; Dresselhaus, Mildred S.; Burghard, Zaklina; Bill, Joachim

    2017-01-01

    Nature has evolved hierarchical structures of hybrid materials with excellent mechanical properties. Inspired by nacre’s architecture, a ternary nanostructured composite has been developed, wherein stacked lamellas of 1D vanadium pentoxide nanofibres, intercalated with water molecules, are complemented by 2D graphene oxide (GO) nanosheets. The components self-assemble at low temperature into hierarchically arranged, highly flexible ceramic-based papers. The papers’ mechanical properties are found to be strongly influenced by the amount of the integrated GO phase. Nanoindentation tests reveal an out-of-plane decrease in Young’s modulus with increasing GO content. Furthermore, nanotensile tests reveal that the ceramic-based papers with 0.5 wt% GO show superior in-plane mechanical performance, compared to papers with higher GO contents as well as to pristine V2O5 and GO papers. Remarkably, the performance is preserved even after stretching the composite material for 100 nanotensile test cycles. The good mechanical stability and unique combination of stiffness and flexibility enable this material to memorize its micro- and macroscopic shape after repeated mechanical deformations. These findings provide useful guidelines for the development of bioinspired, multifunctional systems whose hierarchical structure imparts tailored mechanical properties and cycling stability, which is essential for applications such as actuators or flexible electrodes for advanced energy storage.

  1. Strengthening of Ceramic-based Artificial Nacre via Synergistic Interactions of 1D Vanadium Pentoxide and 2D Graphene Oxide Building Blocks

    PubMed Central

    Knöller, Andrea; Lampa, Christian P.; Cube, Felix von; Zeng, Tingying Helen; Bell, David C.; Dresselhaus, Mildred S.; Burghard, Zaklina; Bill, Joachim

    2017-01-01

    Nature has evolved hierarchical structures of hybrid materials with excellent mechanical properties. Inspired by nacre’s architecture, a ternary nanostructured composite has been developed, wherein stacked lamellas of 1D vanadium pentoxide nanofibres, intercalated with water molecules, are complemented by 2D graphene oxide (GO) nanosheets. The components self-assemble at low temperature into hierarchically arranged, highly flexible ceramic-based papers. The papers’ mechanical properties are found to be strongly influenced by the amount of the integrated GO phase. Nanoindentation tests reveal an out-of-plane decrease in Young’s modulus with increasing GO content. Furthermore, nanotensile tests reveal that the ceramic-based papers with 0.5 wt% GO show superior in-plane mechanical performance, compared to papers with higher GO contents as well as to pristine V2O5 and GO papers. Remarkably, the performance is preserved even after stretching the composite material for 100 nanotensile test cycles. The good mechanical stability and unique combination of stiffness and flexibility enable this material to memorize its micro- and macroscopic shape after repeated mechanical deformations. These findings provide useful guidelines for the development of bioinspired, multifunctional systems whose hierarchical structure imparts tailored mechanical properties and cycling stability, which is essential for applications such as actuators or flexible electrodes for advanced energy storage. PMID:28102338

  2. Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

    SciTech Connect

    Krishtopenko, S. S.

    2015-02-15

    The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

  3. Unparticle example in 2D.

    PubMed

    Georgi, Howard; Kats, Yevgeny

    2008-09-26

    We discuss what can be learned about unparticle physics by studying simple quantum field theories in one space and one time dimension. We argue that the exactly soluble 2D theory of a massless fermion coupled to a massive vector boson, the Sommerfield model, is an interesting analog of a Banks-Zaks model, approaching a free theory at high energies and a scale-invariant theory with nontrivial anomalous dimensions at low energies. We construct a toy standard model coupling to the fermions in the Sommerfield model and study how the transition from unparticle behavior at low energies to free particle behavior at high energies manifests itself in interactions with the toy standard model particles.

  4. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    DOE PAGES

    Brodney, Michael A.; Beck, Elizabeth M.; Butler, Christopher R.; ...

    2015-03-17

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Here in this paper, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, wemore » solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.« less

  5. Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug–Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors

    SciTech Connect

    Brodney, Michael A.; Beck, Elizabeth M.; Butler, Christopher R.; Barreiro, Gabriela; Johnson, Eric F.; Riddell, David; Parris, Kevin; Nolan, Charles E.; Fan, Ying; Atchison, Kevin; Gonzales, Cathleen; Robshaw, Ashley E.; Doran, Shawn D.; Bundesmann, Mark W.; Buzon, Leanne; Dutra, Jason; Henegar, Kevin; LaChapelle, Erik; Hou, Xinjun; Rogers, Bruce N.; Pandit, Jayvardhan; Lira, Ricardo; Martinez-Alsina, Luis; Mikochik, Peter; Murray, John C.; Ogilvie, Kevin; Price, Loren; Sakya, Subas M.; Yu, Aijia; Zhang, Yong; O’Neill, Brian T.

    2015-03-17

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer’s disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Here in this paper, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug–drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.

  6. Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.

    PubMed

    Brodney, Michael A; Beck, Elizabeth M; Butler, Christopher R; Barreiro, Gabriela; Johnson, Eric F; Riddell, David; Parris, Kevin; Nolan, Charles E; Fan, Ying; Atchison, Kevin; Gonzales, Cathleen; Robshaw, Ashley E; Doran, Shawn D; Bundesmann, Mark W; Buzon, Leanne; Dutra, Jason; Henegar, Kevin; LaChapelle, Erik; Hou, Xinjun; Rogers, Bruce N; Pandit, Jayvardhan; Lira, Ricardo; Martinez-Alsina, Luis; Mikochik, Peter; Murray, John C; Ogilvie, Kevin; Price, Loren; Sakya, Subas M; Yu, Aijia; Zhang, Yong; O'Neill, Brian T

    2015-04-09

    In recent years, the first generation of β-secretase (BACE1) inhibitors advanced into clinical development for the treatment of Alzheimer's disease (AD). However, the alignment of drug-like properties and selectivity remains a major challenge. Herein, we describe the discovery of a novel class of potent, low clearance, CNS penetrant BACE1 inhibitors represented by thioamidine 5. Further profiling suggested that a high fraction of the metabolism (>95%) was due to CYP2D6, increasing the potential risk for victim-based drug-drug interactions (DDI) and variable exposure in the clinic due to the polymorphic nature of this enzyme. To guide future design, we solved crystal structures of CYP2D6 complexes with substrate 5 and its corresponding metabolic product pyrazole 6, which provided insight into the binding mode and movements between substrate/inhibitor complexes. Guided by the BACE1 and CYP2D6 crystal structures, we designed and synthesized analogues with reduced risk for DDI, central efficacy, and improved hERG therapeutic margins.

  7. An evaluation of the CYP2D6 and CYP3A4 inhibition potential of metoprolol metabolites and their contribution to drug-drug and drug-herb interaction by LC-ESI/MS/MS.

    PubMed

    Borkar, Roshan M; Bhandi, Murali Mohan; Dubey, Ajay P; Ganga Reddy, V; Komirishetty, Prashanth; Nandekar, Prajwal P; Sangamwar, Abhay T; Kamal, Ahmed; Banerjee, Sanjay K; Srinivas, R

    2016-10-01

    The aim of the present study was to evaluate the contribution of metabolites to drug-drug interaction and drug-herb interaction using the inhibition of CYP2D6 and CYP3A4 by metoprolol (MET) and its metabolites. The peak concentrations of unbound plasma concentration of MET, α-hydroxy metoprolol (HM), O-desmethyl metoprolol (ODM) and N-desisopropyl metoprolol (DIM) were 90.37 ± 2.69, 33.32 ± 1.92, 16.93 ± 1.70 and 7.96 ± 0.94 ng/mL, respectively. The metabolites identified, HM and ODM, had a ratio of metabolic area under the concentration-time curve (AUC) to parent AUC of ≥0.25 when either total or unbound concentration of metabolite was considered. In vitro CYP2D6 and CYP3A4 inhibition by MET, HM and ODM study revealed that MET, HM and ODM were not inhibitors of CYP3A4-catalyzed midazolam metabolism and CYP2D6-catalyzed dextromethorphan metabolism. However, DIM only met the criteria of >10% of the total drug related material and <25% of the parent using unbound concentrations. If CYP inhibition testing is solely based on metabolite exposure, DIM metabolite would probably not be considered. However, the present study has demonstrated that DIM contributes significantly to in vitro drug-drug interaction. Copyright © 2016 John Wiley & Sons, Ltd.

  8. Brittle damage models in DYNA2D

    SciTech Connect

    Faux, D.R.

    1997-09-01

    DYNA2D is an explicit Lagrangian finite element code used to model dynamic events where stress wave interactions influence the overall response of the system. DYNA2D is often used to model penetration problems involving ductile-to-ductile impacts; however, with the advent of the use of ceramics in the armor-anti-armor community and the need to model damage to laser optics components, good brittle damage models are now needed in DYNA2D. This report will detail the implementation of four brittle damage models in DYNA2D, three scalar damage models and one tensor damage model. These new brittle damage models are then used to predict experimental results from three distinctly different glass damage problems.

  9. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L. A.; Hallquist, J. O.

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  10. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid

    NASA Astrophysics Data System (ADS)

    Wang, Z.; McKeown Walker, S.; Tamai, A.; Wang, Y.; Ristic, Z.; Bruno, F. Y.; de la Torre, A.; Riccò, S.; Plumb, N. C.; Shi, M.; Hlawenka, P.; Sánchez-Barriga, J.; Varykhalov, A.; Kim, T. K.; Hoesch, M.; King, P. D. C.; Meevasana, W.; Diebold, U.; Mesot, J.; Moritz, B.; Devereaux, T. P.; Radovic, M.; Baumberger, F.

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  11. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid.

    PubMed

    Wang, Z; McKeown Walker, S; Tamai, A; Wang, Y; Ristic, Z; Bruno, F Y; de la Torre, A; Riccò, S; Plumb, N C; Shi, M; Hlawenka, P; Sánchez-Barriga, J; Varykhalov, A; Kim, T K; Hoesch, M; King, P D C; Meevasana, W; Diebold, U; Mesot, J; Moritz, B; Devereaux, T P; Radovic, M; Baumberger, F

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  12. Modeling chemical interaction profiles: I. Spectral data-activity relationship and structure-activity relationship models for inhibitors and non-inhibitors of cytochrome P450 CYP3A4 and CYP2D6 isozymes.

    PubMed

    McPhail, Brooks; Tie, Yunfeng; Hong, Huixiao; Pearce, Bruce A; Schnackenberg, Laura K; Ge, Weigong; Valerio, Luis G; Fuscoe, James C; Tong, Weida; Buzatu, Dan A; Wilkes, Jon G; Fowler, Bruce A; Demchuk, Eugene; Beger, Richard D

    2012-03-15

    An interagency collaboration was established to model chemical interactions that may cause adverse health effects when an exposure to a mixture of chemicals occurs. Many of these chemicals--drugs, pesticides, and environmental pollutants--interact at the level of metabolic biotransformations mediated by cytochrome P450 (CYP) enzymes. In the present work, spectral data-activity relationship (SDAR) and structure-activity relationship (SAR) approaches were used to develop machine-learning classifiers of inhibitors and non-inhibitors of the CYP3A4 and CYP2D6 isozymes. The models were built upon 602 reference pharmaceutical compounds whose interactions have been deduced from clinical data, and 100 additional chemicals that were used to evaluate model performance in an external validation (EV) test. SDAR is an innovative modeling approach that relies on discriminant analysis applied to binned nuclear magnetic resonance (NMR) spectral descriptors. In the present work, both 1D ¹³C and 1D ¹⁵N-NMR spectra were used together in a novel implementation of the SDAR technique. It was found that increasing the binning size of 1D ¹³C-NMR and ¹⁵N-NMR spectra caused an increase in the tenfold cross-validation (CV) performance in terms of both the rate of correct classification and sensitivity. The results of SDAR modeling were verified using SAR. For SAR modeling, a decision forest approach involving from 6 to 17 Mold2 descriptors in a tree was used. Average rates of correct classification of SDAR and SAR models in a hundred CV tests were 60% and 61% for CYP3A4, and 62% and 70% for CYP2D6, respectively. The rates of correct classification of SDAR and SAR models in the EV test were 73% and 86% for CYP3A4, and 76% and 90% for CYP2D6, respectively. Thus, both SDAR and SAR methods demonstrated a comparable performance in modeling a large set of structurally diverse data. Based on unique NMR structural descriptors, the new SDAR modeling method complements the existing SAR

  13. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J. O.; Sanford, Larry

    1996-07-15

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  14. MAZE96. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Sanford, L.; Hallquist, J.O.

    1992-02-24

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  15. Radiofrequency Spectroscopy and Thermodynamics of Fermi Gases in the 2D to Quasi-2D Dimensional Crossover

    NASA Astrophysics Data System (ADS)

    Cheng, Chingyun; Kangara, Jayampathi; Arakelyan, Ilya; Thomas, John

    2016-05-01

    We tune the dimensionality of a strongly interacting degenerate 6 Li Fermi gas from 2D to quasi-2D, by adjusting the radial confinement of pancake-shaped clouds to control the radial chemical potential. In the 2D regime with weak radial confinement, the measured pair binding energies are in agreement with 2D-BCS mean field theory, which predicts dimer pairing energies in the many-body regime. In the qausi-2D regime obtained with increased radial confinement, the measured pairing energy deviates significantly from 2D-BCS theory. In contrast to the pairing energy, the measured radii of the cloud profiles are not fit by 2D-BCS theory in either the 2D or quasi-2D regimes, but are fit in both regimes by a beyond mean field polaron-model of the free energy. Supported by DOE, ARO, NSF, and AFOSR.

  16. 2D MI-DRAGON: a new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins.

    PubMed

    Prado-Prado, Francisco; García-Mera, Xerardo; Escobar, Manuel; Sobarzo-Sánchez, Eduardo; Yañez, Matilde; Riera-Fernandez, Pablo; González-Díaz, Humberto

    2011-12-01

    There are many pairs of possible Drug-Proteins Interactions that may take place or not (DPIs/nDPIs) between drugs with high affinity/non-affinity for different proteins. This fact makes expensive in terms of time and resources, for instance, the determination of all possible ligands-protein interactions for a single drug. In this sense, we can use Quantitative Structure-Activity Relationships (QSAR) models to carry out rational DPIs prediction. Unfortunately, almost all QSAR models predict activity against only one target. To solve this problem we can develop multi-target QSAR (mt-QSAR) models. In this work, we introduce the technique 2D MI-DRAGON a new predictor for DPIs based on two different well-known software. We use the software MARCH-INSIDE (MI) to calculate 3D structural parameters for targets and the software DRAGON was used to calculated 2D molecular descriptors all drugs showing known DPIs present in the Drug Bank (US FDA benchmark dataset). Both classes of parameters were used as input of different Artificial Neural Network (ANN) algorithms to seek an accurate non-linear mt-QSAR predictor. The best ANN model found is a Multi-Layer Perceptron (MLP) with profile MLP 21:21-31-1:1. This MLP classifies correctly 303 out of 339 DPIs (Sensitivity = 89.38%) and 480 out of 510 nDPIs (Specificity = 94.12%), corresponding to training Accuracy = 92.23%. The validation of the model was carried out by means of external predicting series with Sensitivity = 92.18% (625/678 DPIs; Specificity = 90.12% (730/780 nDPIs) and Accuracy = 91.06%. 2D MI-DRAGON offers a good opportunity for fast-track calculation of all possible DPIs of one drug enabling us to re-construct large drug-target or DPIs Complex Networks (CNs). For instance, we reconstructed the CN of the US FDA benchmark dataset with 855 nodes 519 drugs+336 targets). We predicted CN with similar topology (observed and predicted values of average distance are equal to 6.7 vs. 6.6). These CNs can be used to explore

  17. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  18. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  19. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  20. E-2D Advanced Hawkeye Aircraft (E-2D AHE)

    DTIC Science & Technology

    2015-12-01

    Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-364 E-2D Advanced Hawkeye Aircraft (E-2D AHE) As of FY 2017 President’s Budget Defense...Office Estimate RDT&E - Research, Development, Test, and Evaluation SAR - Selected Acquisition Report SCP - Service Cost Position TBD - To Be Determined

  1. Interaction of serum proteins with CYP isoforms in human liver microsomes: inhibitory effects of human and bovine albumin, alpha-globulins, alpha-1-acid glycoproteins and gamma-globulins on CYP2C19 and CYP2D6.

    PubMed

    Xu, Bang Qian; Ishii, Mikio; Ding, Li Rong; Fischer, Nancy E; Inaba, Tadanobu

    2003-03-14

    The effects of serum proteins on the in vitro hydroxylation pathways of mephenytoin (CYP2C19) and debrisoquine (CYP2D6) were studied to enhance the predictability of in vivo drug metabolism from in vitro assays. Both CYP substrates are known to be weakly bound to albumin and the applicability of the free drug hypothesis was further appraised. Since bovine serum albumin (BSA) is used widely in in vitro assays, a comparison between human and bovine proteins was made. Four major serum proteins were studied: albumin, alpha1-acid glycoprotein (AGP), alpha- and gamma-globulins. Human serum albumin (HSA) inhibited both CYP activities about 20% more than BSA. The addition of human alpha-globulins, but not the bovine protein, resulted in marked reduction of 86% and 41% in CYP2C19 and CYP2D6 activities, respectively. This reduction of activity was strikingly greater than the fraction bound (14 and 22%, respectively). The inhibition was of the competitive type and the Ki values of human alpha-globulins on CYP2C19 and CYP2D6 were found to be 0.45% (4.5 mg/ml) and 3.5% (35 mg/ml), respectively. The effect of both human and bovine gamma-globulins on CYP isoforms was negligible. The Ki values of human and bovine AGP for CYP2C19 were 1.84% (420 microM) and 0.93% (210 microM), respectively. For HSA, human alpha-globulins and human and bovine AGP, the strongly decreased CYP activities in vitro cannot be explained by the free drug hypothesis. A direct interaction of these serum proteins with CYP enzymes is postulated. Differential effects of bovine and human serum proteins and CYP specific inhibition were observed.

  2. Progression of cervical intraepithelial neoplasia to cervical cancer: interactions of cytochrome P450 CYP2D6 EM and glutathione s-transferase GSTM1 null genotypes and cigarette smoking.

    PubMed Central

    Warwick, A. P.; Redman, C. W.; Jones, P. W.; Fryer, A. A.; Gilford, J.; Alldersea, J.; Strange, R. C.

    1994-01-01

    The factors that determine progression of cervical intraepithelial neoplasia (CIN) to squamous cell carcinoma (SCC) are unknown. Cigarette smoking is an independent risk factor for cervical neoplasia, suggesting that polymorphism at detoxicating enzyme loci such as cytochrome P450 CYP2D6 and glutathione S-transferase GSTM1 may determine susceptibility to these cancers. We have studied the frequencies of genotypes at these loci in women suffering low-grade CIN, high-grade CIN and SCC. A non-cancer control group was provided by women with normal cervical histology suffering menorrhagia. Comparison of the frequency distributions of the CYP2D6 PM, HET and EM genotypes (G-->A transition at intron 3/exon 4 and base pair deletion in exon 5) revealed no significant differences between the menorrhagia and SCC groups. Frequency distributions in the menorrhagia group, however, were significantly different (P < 0.04) from those in the low- and high-grade CIN groups. Thus, the proportion of EM was significantly larger (P < 0.03) and of HET generally lower. We found that the frequency of GSTM1 null in the menorrhagia and case groups was not significantly different. Interactive effects of enzyme genotypes with cigarette smoking were studied by comparing the multinomial frequency distributions of CYP2D6 EM/GSTM1 null/smoking over mutually exclusive categories. These showed no significant differences between the menorrhagia group and SCC or low-grade CIN groups. The frequency distribution in high-grade CIN, however, was significantly different to that in the menorrhagia group and in both SCC and low-grade CIN groups. This study was identified, for the first time, an inherited characteristic in women with high-grade CIN who appear to be at reduced risk of SCC. Thus, women with CYP2D6 EM who smoke have increased susceptibility to high-grade CIN but are less likely to progress to SCC, possibly because they effectively detoxify an unidentified chemical involved in mediating disease

  3. Quantum defect theory for Coulomb and other potentials in the framework of configuration interaction and implementation to the calculation of 2 D and 2 F o perturbed spectra of Al

    NASA Astrophysics Data System (ADS)

    Komninos, Yannis; Nicolaides, Cleanthes A.

    2004-05-01

    In continuation of our earlier work on the ab initio calculation of perturbed spectra and on a corresponding quantum defect theory (QDT), we discuss certain essential characteristics having to do with the unification of the continuous and the discrete spectra via the formal and practical construction of smooth quantities without invoking the pair of analytic forms of regular and irregular functions. The theory and its computational methodology are in the framework of configuration interaction (CI), and its structure shows how wavefunctions and properties of excited states of atoms and molecules can be computed provided one uses reliable zero-order basis functions, regardless of whether the relevant potential is, asymptotically, Coulombic or some other type. The mathematical connection with smooth reaction matrices in the discrete spectrum is demonstrated via the Mittag-Leffler theorem for the construction of analytic functions. We compare results for the quantum defects and fine structure from the present theory, as implemented by Komninos et al ( 1995 J. Phys. B: At. Mol. Opt. Phys. 28 2049 , 1996 J. Phys. B: At. Mol. Opt. Phys. 29 L193 ), of the Al spectra of 2 D symmetry (strongly perturbed) and of 2 F o symmetry (weakly perturbed), with the recently reported measurements on high-lying states ( Dyubko et al 2003 J. Phys. B: At. Mol. Opt. Phys. 36 3797 and 4827 ), as well as with those of Eriksson and Isberg (1963 Ark. Fys. 23 527) for the low-lying states. The comparison reveals for the first time very good agreement between theory and experiment for both series. In addition, predictions for the other states of the series are made. Previous computations of the quantum defects of the 2 D spectrum, in general, do not agree among themselves while they deviate from the experimental values.

  4. Fluoxetine- and norfluoxetine-mediated complex drug-drug interactions: in vitro to in vivo correlation of effects on CYP2D6, CYP2C19, and CYP3A4.

    PubMed

    Sager, J E; Lutz, J D; Foti, R S; Davis, C; Kunze, K L; Isoherranen, N

    2014-06-01

    Fluoxetine and its circulating metabolite norfluoxetine comprise a complex multiple-inhibitor system that causes reversible or time-dependent inhibition of the cytochrome P450 (CYP) family members CYP2D6, CYP3A4, and CYP2C19 in vitro. Although significant inhibition of all three enzymes in vivo was predicted, the areas under the concentration-time curve (AUCs) for midazolam and lovastatin were unaffected by 2-week dosing of fluoxetine, whereas the AUCs of dextromethorphan and omeprazole were increased by 27- and 7.1-fold, respectively. This observed discrepancy between in vitro risk assessment and in vivo drug-drug interaction (DDI) profile was rationalized by time-varying dynamic pharmacokinetic models that incorporated circulating concentrations of fluoxetine and norfluoxetine enantiomers, mutual inhibitor-inhibitor interactions, and CYP3A4 induction. The dynamic models predicted all DDIs with less than twofold error. This study demonstrates that complex DDIs that involve multiple mechanisms, pathways, and inhibitors with their metabolites can be predicted and rationalized via characterization of all the inhibitory species in vitro.

  5. Optoelectronics with 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Mueller, Thomas

    2015-03-01

    Two-dimensional (2D) atomic crystals, such as graphene and layered transition-metal dichalcogenides, are currently receiving a lot of attention for applications in electronics and optoelectronics. In this talk, I will review our research activities on electrically driven light emission, photovoltaic energy conversion and photodetection in 2D semiconductors. In particular, WSe2 monolayer p-n junctions formed by electrostatic doping using a pair of split gate electrodes, type-II heterojunctions based on MoS2/WSe2 and MoS2/phosphorene van der Waals stacks, 2D multi-junction solar cells, and 3D/2D semiconductor interfaces will be presented. Upon optical illumination, conversion of light into electrical energy occurs in these devices. If an electrical current is driven, efficient electroluminescence is obtained. I will present measurements of the electrical characteristics, the optical properties, and the gate voltage dependence of the device response. In the second part of my talk, I will discuss photoconductivity studies of MoS2 field-effect transistors. We identify photovoltaic and photoconductive effects, which both show strong photoconductive gain. A model will be presented that reproduces our experimental findings, such as the dependence on optical power and gate voltage. We envision that the efficient photon conversion and light emission, combined with the advantages of 2D semiconductors, such as flexibility, high mechanical stability and low costs of production, could lead to new optoelectronic technologies.

  6. A Scoping Analysis Of The Impact Of SiC Cladding On Late-Phase Accident Progression Involving Core–Concrete Interaction

    SciTech Connect

    Farmer, M. T.

    2015-11-01

    The overall objective of the current work is to carry out a scoping analysis to determine the impact of ATF on late phase accident progression; in particular, the molten core-concrete interaction portion of the sequence that occurs after the core debris fails the reactor vessel and relocates into containment. This additional study augments previous work by including kinetic effects that govern chemical reaction rates during core-concrete interaction. The specific ATF considered as part of this study is SiC-clad UO2.

  7. Highly crystalline 2D superconductors

    NASA Astrophysics Data System (ADS)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-12-01

    Recent advances in materials fabrication have enabled the manufacturing of ordered 2D electron systems, such as heterogeneous interfaces, atomic layers grown by molecular beam epitaxy, exfoliated thin flakes and field-effect devices. These 2D electron systems are highly crystalline, and some of them, despite their single-layer thickness, exhibit a sheet resistance more than an order of magnitude lower than that of conventional amorphous or granular thin films. In this Review, we explore recent developments in the field of highly crystalline 2D superconductors and highlight the unprecedented physical properties of these systems. In particular, we explore the quantum metallic state (or possible metallic ground state), the quantum Griffiths phase observed in out-of-plane magnetic fields and the superconducting state maintained in anomalously large in-plane magnetic fields. These phenomena are examined in the context of weakened disorder and/or broken spatial inversion symmetry. We conclude with a discussion of how these unconventional properties make highly crystalline 2D systems promising platforms for the exploration of new quantum physics and high-temperature superconductors.

  8. Extensions of 2D gravity

    SciTech Connect

    Sevrin, A.

    1993-06-01

    After reviewing some aspects of gravity in two dimensions, I show that non-trivial embeddings of sl(2) in a semi-simple (super) Lie algebra give rise to a very large class of extensions of 2D gravity. The induced action is constructed as a gauged WZW model and an exact expression for the effective action is given.

  9. Compatible embedding for 2D shape animation.

    PubMed

    Baxter, William V; Barla, Pascal; Anjyo, Ken-Ichi

    2009-01-01

    We present new algorithms for the compatible embedding of 2D shapes. Such embeddings offer a convenient way to interpolate shapes having complex, detailed features. Compared to existing techniques, our approach requires less user input, and is faster, more robust, and simpler to implement, making it ideal for interactive use in practical applications. Our new approach consists of three parts. First, our boundary matching algorithm locates salient features using the perceptually motivated principles of scale-space and uses these as automatic correspondences to guide an elastic curve matching algorithm. Second, we simplify boundaries while maintaining their parametric correspondence and the embedding of the original shapes. Finally, we extend the mapping to shapes' interiors via a new compatible triangulation algorithm. The combination of our algorithms allows us to demonstrate 2D shape interpolation with instant feedback. The proposed algorithms exhibit a combination of simplicity, speed, and accuracy that has not been achieved in previous work.

  10. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Lin, Jerry

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  11. 2D superconductivity by ionic gating

    NASA Astrophysics Data System (ADS)

    Iwasa, Yoshi

    2D superconductivity is attracting a renewed interest due to the discoveries of new highly crystalline 2D superconductors in the past decade. Superconductivity at the oxide interfaces triggered by LaAlO3/SrTiO3 has become one of the promising routes for creation of new 2D superconductors. Also, the MBE grown metallic monolayers including FeSe are also offering a new platform of 2D superconductors. In the last two years, there appear a variety of monolayer/bilayer superconductors fabricated by CVD or mechanical exfoliation. Among these, electric field induced superconductivity by electric double layer transistor (EDLT) is a unique platform of 2D superconductivity, because of its ability of high density charge accumulation, and also because of the versatility in terms of materials, stemming from oxides to organics and layered chalcogenides. In this presentation, the following issues of electric filed induced superconductivity will be addressed; (1) Tunable carrier density, (2) Weak pinning, (3) Absence of inversion symmetry. (1) Since the sheet carrier density is quasi-continuously tunable from 0 to the order of 1014 cm-2, one is able to establish an electronic phase diagram of superconductivity, which will be compared with that of bulk superconductors. (2) The thickness of superconductivity can be estimated as 2 - 10 nm, dependent on materials, and is much smaller than the in-plane coherence length. Such a thin but low resistance at normal state results in extremely weak pinning beyond the dirty Boson model in the amorphous metallic films. (3) Due to the electric filed, the inversion symmetry is inherently broken in EDLT. This feature appears in the enhancement of Pauli limit of the upper critical field for the in-plane magnetic fields. In transition metal dichalcogenide with a substantial spin-orbit interactions, we were able to confirm the stabilization of Cooper pair due to its spin-valley locking. This work has been supported by Grant-in-Aid for Specially

  12. Simulation of Yeast Cooperation in 2D.

    PubMed

    Wang, M; Huang, Y; Wu, Z

    2016-03-01

    Evolution of cooperation has been an active research area in evolutionary biology in decades. An important type of cooperation is developed from group selection, when individuals form spatial groups to prevent them from foreign invasions. In this paper, we study the evolution of cooperation in a mixed population of cooperating and cheating yeast strains in 2D with the interactions among the yeast cells restricted to their small neighborhoods. We conduct a computer simulation based on a game theoretic model and show that cooperation is increased when the interactions are spatially restricted, whether the game is of a prisoner's dilemma, snow drifting, or mutual benefit type. We study the evolution of homogeneous groups of cooperators or cheaters and describe the conditions for them to sustain or expand in an opponent population. We show that under certain spatial restrictions, cooperator groups are able to sustain and expand as group sizes become large, while cheater groups fail to expand and keep them from collapse.

  13. Valleytronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Schaibley, John R.; Yu, Hongyi; Clark, Genevieve; Rivera, Pasqual; Ross, Jason S.; Seyler, Kyle L.; Yao, Wang; Xu, Xiaodong

    2016-11-01

    Semiconductor technology is currently based on the manipulation of electronic charge; however, electrons have additional degrees of freedom, such as spin and valley, that can be used to encode and process information. Over the past several decades, there has been significant progress in manipulating electron spin for semiconductor spintronic devices, motivated by potential spin-based information processing and storage applications. However, experimental progress towards manipulating the valley degree of freedom for potential valleytronic devices has been limited until very recently. We review the latest advances in valleytronics, which have largely been enabled by the isolation of 2D materials (such as graphene and semiconducting transition metal dichalcogenides) that host an easily accessible electronic valley degree of freedom, allowing for dynamic control.

  14. A simultaneous 2D/3D autostereo workstation

    NASA Astrophysics Data System (ADS)

    Chau, Dennis; McGinnis, Bradley; Talandis, Jonas; Leigh, Jason; Peterka, Tom; Knoll, Aaron; Sumer, Aslihan; Papka, Michael; Jellinek, Julius

    2012-03-01

    We present a novel immersive workstation environment that scientists can use for 3D data exploration and as their everyday 2D computer monitor. Our implementation is based on an autostereoscopic dynamic parallax barrier 2D/3D display, interactive input devices, and a software infrastructure that allows client/server software modules to couple the workstation to scientists' visualization applications. This paper describes the hardware construction and calibration, software components, and a demonstration of our system in nanoscale materials science exploration.

  15. NIKE2D96. Static & Dynamic Response of 2D Solids

    SciTech Connect

    Raboin, P.; Engelmann, B.; Halquist, J.O.

    1992-01-24

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surface contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.

  16. Microwave Assisted 2D Materials Exfoliation

    NASA Astrophysics Data System (ADS)

    Wang, Yanbin

    Two-dimensional materials have emerged as extremely important materials with applications ranging from energy and environmental science to electronics and biology. Here we report our discovery of a universal, ultrafast, green, solvo-thermal technology for producing excellent-quality, few-layered nanosheets in liquid phase from well-known 2D materials such as such hexagonal boron nitride (h-BN), graphite, and MoS2. We start by mixing the uniform bulk-layered material with a common organic solvent that matches its surface energy to reduce the van der Waals attractive interactions between the layers; next, the solutions are heated in a commercial microwave oven to overcome the energy barrier between bulk and few-layers states. We discovered the minutes-long rapid exfoliation process is highly temperature dependent, which requires precise thermal management to obtain high-quality inks. We hypothesize a possible mechanism of this proposed solvo-thermal process; our theory confirms the basis of this novel technique for exfoliation of high-quality, layered 2D materials by using an as yet unknown role of the solvent.

  17. 2D quantum gravity from quantum entanglement.

    PubMed

    Gliozzi, F

    2011-01-21

    In quantum systems with many degrees of freedom the replica method is a useful tool to study the entanglement of arbitrary spatial regions. We apply it in a way that allows them to backreact. As a consequence, they become dynamical subsystems whose position, form, and extension are determined by their interaction with the whole system. We analyze, in particular, quantum spin chains described at criticality by a conformal field theory. Its coupling to the Gibbs' ensemble of all possible subsystems is relevant and drives the system into a new fixed point which is argued to be that of the 2D quantum gravity coupled to this system. Numerical experiments on the critical Ising model show that the new critical exponents agree with those predicted by the formula of Knizhnik, Polyakov, and Zamolodchikov.

  18. ORION96. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L.A.; Hallquist, J.O.

    1992-02-02

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  19. NKG2D ligands as therapeutic targets

    PubMed Central

    Spear, Paul; Wu, Ming-Ru; Sentman, Marie-Louise; Sentman, Charles L.

    2013-01-01

    The Natural Killer Group 2D (NKG2D) receptor plays an important role in protecting the host from infections and cancer. By recognizing ligands induced on infected or tumor cells, NKG2D modulates lymphocyte activation and promotes immunity to eliminate ligand-expressing cells. Because these ligands are not widely expressed on healthy adult tissue, NKG2D ligands may present a useful target for immunotherapeutic approaches in cancer. Novel therapies targeting NKG2D ligands for the treatment of cancer have shown preclinical success and are poised to enter into clinical trials. In this review, the NKG2D receptor and its ligands are discussed in the context of cancer, infection, and autoimmunity. In addition, therapies targeting NKG2D ligands in cancer are also reviewed. PMID:23833565

  20. Secretory pathways generating immunosuppressive NKG2D ligands

    PubMed Central

    Baragaño Raneros, Aroa; Suarez-Álvarez, Beatriz; López-Larrea, Carlos

    2014-01-01

    Natural Killer Group 2 member D (NKG2D) activating receptor, present on the surface of various immune cells, plays an important role in activating the anticancer immune response by their interaction with stress-inducible NKG2D ligands (NKG2DL) on transformed cells. However, cancer cells have developed numerous mechanisms to evade the immune system via the downregulation of NKG2DL from the cell surface, including the release of NKG2DL from the cell surface in a soluble form. Here, we review the mechanisms involved in the production of soluble NKG2DL (sNKG2DL) and the potential therapeutic strategies aiming to block the release of these immunosuppressive ligands. Therapeutically enabling the NKG2D-NKG2DL interaction would promote immunorecognition of malignant cells, thus abrogating disease progression. PMID:25050215

  1. 2D Hexagonal Boron Nitride (2D-hBN) Explored for the Electrochemical Sensing of Dopamine.

    PubMed

    Khan, Aamar F; Brownson, Dale A C; Randviir, Edward P; Smith, Graham C; Banks, Craig E

    2016-10-04

    Crystalline 2D hexagonal boron nitride (2D-hBN) nanosheets are explored as a potential electrocatalyst toward the electroanalytical sensing of dopamine (DA). The 2D-hBN nanosheets are electrically wired via a drop-casting modification process onto a range of commercially available carbon supporting electrodes, including glassy carbon (GC), boron-doped diamond (BDD), and screen-printed graphitic electrodes (SPEs). 2D-hBN has not previously been explored toward the electrochemical detection/electrochemical sensing of DA. We critically evaluate the potential electrocatalytic performance of 2D-hBN modified electrodes, the effect of supporting carbon electrode platforms, and the effect of "mass coverage" (which is commonly neglected in the 2D material literature) toward the detection of DA. The response of 2D-hBN modified electrodes is found to be largely dependent upon the interaction between 2D-hBN and the underlying supporting electrode material. For example, in the case of SPEs, modification with 2D-hBN (324 ng) improves the electrochemical response, decreasing the electrochemical oxidation potential of DA by ∼90 mV compared to an unmodified SPE. Conversely, modification of a GC electrode with 2D-hBN (324 ng) resulted in an increased oxidation potential of DA by ∼80 mV when compared to the unmodified electrode. We explore the underlying mechanisms of the aforementioned examples and infer that electrode surface interactions and roughness factors are critical considerations. 2D-hBN is utilized toward the sensing of DA in the presence of the common interferents ascorbic acid (AA) and uric acid (UA). 2D-hBN is found to be an effective electrocatalyst in the simultaneous detection of DA and UA at both pH 5.0 and 7.4. The peak separations/resolution between DA and UA increases by ∼70 and 50 mV (at pH 5.0 and 7.4, respectively, when utilizing 108 ng of 2D-hBN) compared to unmodified SPEs, with a particularly favorable response evident in pH 5.0, giving rise to a

  2. 2D microscopic model of graphene fracture properties

    NASA Astrophysics Data System (ADS)

    Hess, Peter

    2015-05-01

    An analytical two-dimensional (2D) microscopic fracture model based on Morse-type interaction is derived containing no adjustable parameter. From the 2D Young’s moduli and 2D intrinsic strengths of graphene measured by nanoindentation based on biaxial tension and calculated by density functional theory for uniaxial tension the widely unknown breaking force, line or edge energy, surface energy, fracture toughness, and strain energy release rate were determined. The simulated line energy agrees well with ab initio calculations and the fracture toughness of perfect graphene sheets is in good agreement with molecular dynamics simulations and the fracture toughness evaluated for defective graphene using the Griffith relation. Similarly, the estimated critical strain energy release rate agrees well with result of various theoretical approaches based on the J-integral and surface energy. The 2D microscopic model, connecting 2D and three-dimensional mechanical properties in a consistent way, provides a versatile relationship to easily access all relevant fracture properties of pristine 2D solids.

  3. Quantitative 2D liquid-state NMR.

    PubMed

    Giraudeau, Patrick

    2014-06-01

    Two-dimensional (2D) liquid-state NMR has a very high potential to simultaneously determine the absolute concentration of small molecules in complex mixtures, thanks to its capacity to separate overlapping resonances. However, it suffers from two main drawbacks that probably explain its relatively late development. First, the 2D NMR signal is strongly molecule-dependent and site-dependent; second, the long duration of 2D NMR experiments prevents its general use for high-throughput quantitative applications and affects its quantitative performance. Fortunately, the last 10 years has witnessed an increasing number of contributions where quantitative approaches based on 2D NMR were developed and applied to solve real analytical issues. This review aims at presenting these recent efforts to reach a high trueness and precision in quantitative measurements by 2D NMR. After highlighting the interest of 2D NMR for quantitative analysis, the different strategies to determine the absolute concentrations from 2D NMR spectra are described and illustrated by recent applications. The last part of the manuscript concerns the recent development of fast quantitative 2D NMR approaches, aiming at reducing the experiment duration while preserving - or even increasing - the analytical performance. We hope that this comprehensive review will help readers to apprehend the current landscape of quantitative 2D NMR, as well as the perspectives that may arise from it.

  4. Competing coexisting phases in 2D water

    NASA Astrophysics Data System (ADS)

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-05-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules.

  5. Competing coexisting phases in 2D water

    PubMed Central

    Zanotti, Jean-Marc; Judeinstein, Patrick; Dalla-Bernardina, Simona; Creff, Gaëlle; Brubach, Jean-Blaise; Roy, Pascale; Bonetti, Marco; Ollivier, Jacques; Sakellariou, Dimitrios; Bellissent-Funel, Marie-Claire

    2016-01-01

    The properties of bulk water come from a delicate balance of interactions on length scales encompassing several orders of magnitudes: i) the Hydrogen Bond (HBond) at the molecular scale and ii) the extension of this HBond network up to the macroscopic level. Here, we address the physics of water when the three dimensional extension of the HBond network is frustrated, so that the water molecules are forced to organize in only two dimensions. We account for the large scale fluctuating HBond network by an analytical mean-field percolation model. This approach provides a coherent interpretation of the different events experimentally (calorimetry, neutron, NMR, near and far infra-red spectroscopies) detected in interfacial water at 160, 220 and 250 K. Starting from an amorphous state of water at low temperature, these transitions are respectively interpreted as the onset of creation of transient low density patches of 4-HBonded molecules at 160 K, the percolation of these domains at 220 K and finally the total invasion of the surface by them at 250 K. The source of this surprising behaviour in 2D is the frustration of the natural bulk tetrahedral local geometry and the underlying very significant increase in entropy of the interfacial water molecules. PMID:27185018

  6. Annotated Bibliography of EDGE2D Use

    SciTech Connect

    J.D. Strachan and G. Corrigan

    2005-06-24

    This annotated bibliography is intended to help EDGE2D users, and particularly new users, find existing published literature that has used EDGE2D. Our idea is that a person can find existing studies which may relate to his intended use, as well as gain ideas about other possible applications by scanning the attached tables.

  7. Staring 2-D hadamard transform spectral imager

    DOEpatents

    Gentry, Stephen M.; Wehlburg, Christine M.; Wehlburg, Joseph C.; Smith, Mark W.; Smith, Jody L.

    2006-02-07

    A staring imaging system inputs a 2D spatial image containing multi-frequency spectral information. This image is encoded in one dimension of the image with a cyclic Hadamarid S-matrix. The resulting image is detecting with a spatial 2D detector; and a computer applies a Hadamard transform to recover the encoded image.

  8. Digit ratio (2D:4D) and hand preference for writing in the BBC Internet Study.

    PubMed

    Manning, J T; Peters, M

    2009-09-01

    The ratio of the length of the second to the fourth digit (2D:4D) may be negatively correlated with prenatal testosterone. Hand preference has been linked with prenatal testosterone and 2D:4D. Here we show that 2D:4D is associated with hand preference for writing in a large internet sample (n>170,000) in which participants self-reported their finger lengths. We replicated a significant association between right 2D:4D and writing hand preference (low right 2D:4D associated with left hand preference) as well as a significant correlation between writing hand preference and the difference between left and right 2D:4D or Dr-l (low Dr-l associated with left hand preference). A new significant correlation between left 2D:4D and writing hand preference was also shown (high left 2D:4D associated with left hand preference). There was a clear interaction between writing hand preference and 2D:4D: The left 2D:4D was significantly larger than the right 2D:4D in male and female left-handed writers, and the right hand 2D:4D was significantly larger than the left hand 2D:4D in male and female right-handed writers.

  9. Genetics, genomics, and evolutionary biology of NKG2D ligands.

    PubMed

    Carapito, Raphael; Bahram, Seiamak

    2015-09-01

    Human and mouse NKG2D ligands (NKG2DLs) are absent or only poorly expressed by most normal cells but are upregulated by cell stress, hence, alerting the immune system in case of malignancy or infection. Although these ligands are numerous and highly variable (at genetic, genomic, structural, and biochemical levels), they all belong to the major histocompatibility complex class I gene superfamily and bind to a single, invariant, receptor: NKG2D. NKG2D (CD314) is an activating receptor expressed on NK cells and subsets of T cells that have a key role in the recognition and lysis of infected and tumor cells. Here, we review the molecular diversity of NKG2DLs, discuss the increasing appreciation of their roles in a variety of medical conditions, and propose several explanations for the evolutionary force(s) that seem to drive the multiplicity and diversity of NKG2DLs while maintaining their interaction with a single invariant receptor.

  10. Regulation of ligands for the activating receptor NKG2D

    PubMed Central

    Mistry, Anita R; O'Callaghan, Chris A

    2007-01-01

    The outcome of an encounter between a cytotoxic cell and a potential target cell depends on the balance of signals from inhibitory and activating receptors. Natural Killer group 2D (NKG2D) has recently emerged as a major activating receptor on T lymphocytes and natural killer cells. In both humans and mice, multiple different genes encode ligands for NKG2D, and these ligands are non-classical major histocompatibility complex class I molecules. The NKG2D–ligand interaction triggers an activating signal in the cell expressing NKG2D and this promotes cytotoxic lysis of the cell expressing the ligand. Most normal tissues do not express ligands for NKG2D, but ligand expression has been documented in tumour and virus-infected cells, leading to lysis of these cells. Tight regulation of ligand expression is important. If there is inappropriate expression in normal tissues, this will favour autoimmune processes, whilst failure to up-regulate the ligands in pathological conditions would favour cancer development or dissemination of intracellular infection. PMID:17614877

  11. 2D Materials for Optical Modulation: Challenges and Opportunities.

    PubMed

    Yu, Shaoliang; Wu, Xiaoqin; Wang, Yipei; Guo, Xin; Tong, Limin

    2017-02-21

    Owing to their atomic layer thickness, strong light-material interaction, high nonlinearity, broadband optical response, fast relaxation, controllable optoelectronic properties, and high compatibility with other photonic structures, 2D materials, including graphene, transition metal dichalcogenides and black phosphorus, have been attracting increasing attention for photonic applications. By tuning the carrier density via electrical or optical means that modifies their physical properties (e.g., Fermi level or nonlinear absorption), optical response of the 2D materials can be instantly changed, making them versatile nanostructures for optical modulation. Here, up-to-date 2D material-based optical modulation in three categories is reviewed: free-space, fiber-based, and on-chip configurations. By analysing cons and pros of different modulation approaches from material and mechanism aspects, the challenges faced by using these materials for device applications are presented. In addition, thermal effects (e.g., laser induced damage) in 2D materials, which are critical to practical applications, are also discussed. Finally, the outlook for future opportunities of these 2D materials for optical modulation is given.

  12. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-01-01

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  13. Matrix models of 2d gravity

    SciTech Connect

    Ginsparg, P.

    1991-12-31

    These are introductory lectures for a general audience that give an overview of the subject of matrix models and their application to random surfaces, 2d gravity, and string theory. They are intentionally 1.5 years out of date.

  14. 2D/3D switchable displays

    NASA Astrophysics Data System (ADS)

    Dekker, T.; de Zwart, S. T.; Willemsen, O. H.; Hiddink, M. G. H.; IJzerman, W. L.

    2006-02-01

    A prerequisite for a wide market acceptance of 3D displays is the ability to switch between 3D and full resolution 2D. In this paper we present a robust and cost effective concept for an auto-stereoscopic switchable 2D/3D display. The display is based on an LCD panel, equipped with switchable LC-filled lenticular lenses. We will discuss 3D image quality, with the focus on display uniformity. We show that slanting the lenticulars in combination with a good lens design can minimize non-uniformities in our 20" 2D/3D monitors. Furthermore, we introduce fractional viewing systems as a very robust concept to further improve uniformity in the case slanting the lenticulars and optimizing the lens design are not sufficient. We will discuss measurements and numerical simulations of the key optical characteristics of this display. Finally, we discuss 2D image quality, the switching characteristics and the residual lens effect.

  15. Chemical Approaches to 2D Materials.

    PubMed

    Samorì, Paolo; Palermo, Vincenzo; Feng, Xinliang

    2016-08-01

    Chemistry plays an ever-increasing role in the production, functionalization, processing and applications of graphene and other 2D materials. This special issue highlights a selection of enlightening chemical approaches to 2D materials, which nicely reflect the breadth of the field and convey the excitement of the individuals involved in it, who are trying to translate graphene and related materials from the laboratory into a real, high-impact technology.

  16. Common CYP2D6 polymorphisms affecting alternative splicing and transcription: long-range haplotypes with two regulatory variants modulate CYP2D6 activity.

    PubMed

    Wang, Danxin; Poi, Ming J; Sun, Xiaochun; Gaedigk, Andrea; Leeder, J Steven; Sadee, Wolfgang

    2014-01-01

    Cytochrome P450 2D6 (CYP2D6) is involved in the metabolism of 25% of clinically used drugs. Genetic polymorphisms cause substantial variation in CYP2D6 activity and serve as biomarkers guiding drug therapy. However, genotype-phenotype relationships remain ambiguous except for poor metabolizers carrying null alleles, suggesting the presence of yet unknown genetic variants. Searching for regulatory CYP2D6 polymorphisms, we find that a SNP defining the CYP2D6*2 allele, rs16947 [R296C, 17-60% minor allele frequency (MAF)], previously thought to convey normal activity, alters exon 6 splicing, thereby reducing CYP2D6 expression at least 2-fold. In addition, two completely linked SNPs (rs5758550/rs133333, MAF 13-42%) increase CYP2D6 transcription more than 2-fold, located in a distant downstream enhancer region (>100 kb) that interacts with the CYP2D6 promoter. In high linkage disequilibrium (LD) with each other, rs16947 and the enhancer SNPs form haplotypes that affect CYP2D6 enzyme activity in vivo. In a pediatric cohort of 164 individuals, rs16947 alone (minor haplotype frequency 28%) was associated with reduced CYP2D6 metabolic activity (measured as dextromethorphan/metabolite ratios), whereas rs5758550/rs133333 alone (frequency 3%) resulted in increased CYP2D6 activity, while haplotypes containing both rs16947 and rs5758550/rs133333 were similar to the wild-type. Other alleles used in biomarker panels carrying these variants such as CYP2D6*41 require re-evaluation of independent effects on CYP2D6 activity. The occurrence of two regulatory variants of high frequency and in high LD, residing on a long haplotype, highlights the importance of gene architecture, likely shaped by evolutionary selection pressures, in determining activity of encoded proteins.

  17. 2D Lattices of Ferromagnetic Nanoparticles as Supermagnetics

    DTIC Science & Technology

    1999-06-18

    Supermagnetics DISTRIBUTION: Approved for public release, distribution unlimited Availability: Hard copy only. This paper is part of the following report: TITLE...Technology" OAN.01 i St Petersburg, Russia, June 14-18, 1999 © 1999 loffe Institute 2D lattices of ferromagnetic nanoparticles as supermagnetics A. A...temperature the system became ordered due to the dipole interaction of particles. Such a state of the system was defined as supermagnetic [ ]. The critical

  18. π-stacking and C-X...D (X = H, NO2; D = O, π) interactions in the crystal network of both C-H...N and π-stacked dimers of 1,2-bis(4-bromophenyl)-1H-benzimidazole and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole.

    PubMed

    González-Padilla, Jazmin E; Rosales-Hernández, Martha C; Padilla-Martínez, Itzia I; García-Báez, Efren V; Rojas-Lima, Susana; Salazar-Pereda, Veronica

    2014-01-01

    Molecules of 1,2-bis(4-bromophenyl)-1H-benzimidazole, C19H12Br2N2, (I), and 2-(4-bromophenyl)-1-(4-nitrophenyl)-1H-benzimidazole, C19H12BrN3O2, (II), are arranged in dimeric units through C-H...N and parallel-displaced π-stacking interactions favoured by the appropriate disposition of N- and C-bonded phenyl rings with respect to the mean benzimidazole plane. The molecular packing of the dimers of (I) and (II) arises by the concurrence of a diverse set of weak intermolecular C-X...D (X = H, NO2; D = O, π) interactions.

  19. Optoelectronics of supported and suspended 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Bolotin, Kirill

    2014-03-01

    Two-dimensional semiconductors, materials such monolayer molybdenum disulfide (MoS2) are characterized by strong spin-orbit and electron-electron interactions. However, both electronic and optoelectronic properties of these materials are dominated by disorder-related scattering. In this talk, we investigate approaches to reduce scattering and explore physical phenomena arising in intrinsic 2D semiconductors. First, we discuss fabrication of pristine suspended monolayer MoS2 and use photocurrent spectroscopy measurements to study excitons in this material. We observe band-edge and van Hove singularity excitons and estimate their binding energies. Furthermore, we study dissociation of these excitons and uncover the mechanism of their contribution to photoresponse of MoS2. Second, we study strain-induced modification of bandstructures of 2D semiconductors. With increasing strain, we find large and controllable band gap reduction of both single- and bi-layer MoS2. We also detect experimental signatures consistent with strain-induced transition from direct to indirect band gap in monolayer MoS2. Finally, we fabricate heterostructures of dissimilar 2D semiconductors and study their photoresponse. For closely spaced 2D semiconductors we detect charge transfer, while for separation larger than 10nm we observe Forster-like energy transfer between excitations in different layers.

  20. Graphene band structure and its 2D Raman mode

    NASA Astrophysics Data System (ADS)

    Narula, Rohit; Reich, Stephanie

    2014-08-01

    High-precision simulations are used to generate the 2D Raman mode of graphene under a range of screening conditions and laser energies EL. We reproduce the decreasing trend of the 2D mode FWHM vs EL and the nearly linearly increasing dispersion ∂ω2D/∂EL seen experimentally in freestanding (unscreened) graphene, and propose relations between these experimentally accessible quantities and the local, two-dimensional gradients |∇ | of the electronic and TO phonon bands. In light of state-of-the-art electronic structure calculations that acutely treat the long-range e-e interactions of isolated graphene and its experimentally observed 2D Raman mode, our calculations determine a 40% greater slope of the TO phonons about K than given by explicit phonon measurements performed in graphite or GW phonon calculations in graphene. We also deduce the variation of the broadening energy γ [EL] for freestanding graphene and find a nominal value γ ˜140 meV, showing a gradually increasing trend for the range of frequencies available experimentally.

  1. Volume Calculation of Venous Thrombosis Using 2D Ultrasound Images.

    PubMed

    Dhibi, M; Puentes, J; Bressollette, L; Guias, B; Solaiman, B

    2005-01-01

    Venous thrombosis screening exams use 2D ultrasound images, from which medical experts obtain a rough idea of the thrombosis aspect and infer an approximate volume. Such estimation is essential to follow up the thrombosis evolution. This paper proposes a method to calculate venous thrombosis volume from non-parallel 2D ultrasound images, taking advantage of a priori knowledge about the thrombosis shape. An interactive ellipse fitting contour segmentation extracts the 2D thrombosis contours. Then, a Delaunay triangulation is applied to the set of 2D segmented contours positioned in 3D, and the area that each contour defines, to obtain a global thrombosis 3D surface reconstruction, with a dense triangulation inside the contours. Volume is calculated from the obtained surface and contours triangulation, using a maximum unit normal component approach. Preliminary results obtained on 3 plastic phantoms and 3 in vitro venous thromboses, as well as one in vivo case are presented and discussed. An error rate of volume estimation inferior to 4,5% for the plastic phantoms, and 3,5% for the in vitro venous thromboses was obtained.

  2. NKG2D ligands mediate immunosurveillance of senescent cells

    PubMed Central

    Moshayev, Zhana; Vadai, Ezra; Wensveen, Felix; Ben-Dor, Shifra; Golani, Ofra; Polic, Bojan; Krizhanovsky, Valery

    2016-01-01

    Cellular senescence is a stress response mechanism that limits tumorigenesis and tissue damage. Induction of cellular senescence commonly coincides with an immunogenic phenotype that promotes self-elimination by components of the immune system, thereby facilitating tumor suppression and limiting excess fibrosis during wound repair. The mechanisms by which senescent cells regulate their immune surveillance are not completely understood. Here we show that ligands of an activating Natural Killer (NK) cell receptor (NKG2D), MICA and ULBP2 are consistently up-regulated following induction of replicative senescence, oncogene-induced senescence and DNA damage - induced senescence. MICA and ULBP2 proteins are necessary for efficient NK-mediated cytotoxicity towards senescent fibroblasts. The mechanisms regulating the initial expression of NKG2D ligands in senescent cells are dependent on a DNA damage response, whilst continuous expression of these ligands is regulated by the ERK signaling pathway. In liver fibrosis, the accumulation of senescent activated stellate cells is increased in mice lacking NKG2D receptor leading to increased fibrosis. Overall, our results provide new insights into the mechanisms regulating the expression of immune ligands in senescent cells and reveal the importance of NKG2D receptor-ligand interaction in protecting against liver fibrosis. PMID:26878797

  3. Orthotropic Piezoelectricity in 2D Nanocellulose

    NASA Astrophysics Data System (ADS)

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-10-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V‑1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  4. Orthotropic Piezoelectricity in 2D Nanocellulose

    PubMed Central

    García, Y.; Ruiz-Blanco, Yasser B.; Marrero-Ponce, Yovani; Sotomayor-Torres, C. M.

    2016-01-01

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V−1, ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies. PMID:27708364

  5. Orthotropic Piezoelectricity in 2D Nanocellulose.

    PubMed

    García, Y; Ruiz-Blanco, Yasser B; Marrero-Ponce, Yovani; Sotomayor-Torres, C M

    2016-10-06

    The control of electromechanical responses within bonding regions is essential to face frontier challenges in nanotechnologies, such as molecular electronics and biotechnology. Here, we present Iβ-nanocellulose as a potentially new orthotropic 2D piezoelectric crystal. The predicted in-layer piezoelectricity is originated on a sui-generis hydrogen bonds pattern. Upon this fact and by using a combination of ab-initio and ad-hoc models, we introduce a description of electrical profiles along chemical bonds. Such developments lead to obtain a rationale for modelling the extended piezoelectric effect originated within bond scales. The order of magnitude estimated for the 2D Iβ-nanocellulose piezoelectric response, ~pm V(-1), ranks this material at the level of currently used piezoelectric energy generators and new artificial 2D designs. Such finding would be crucial for developing alternative materials to drive emerging nanotechnologies.

  6. 2D microwave imaging reflectometer electronics

    SciTech Connect

    Spear, A. G.; Domier, C. W. Hu, X.; Muscatello, C. M.; Ren, X.; Luhmann, N. C.; Tobias, B. J.

    2014-11-15

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  7. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  8. 2D microwave imaging reflectometer electronics.

    PubMed

    Spear, A G; Domier, C W; Hu, X; Muscatello, C M; Ren, X; Tobias, B J; Luhmann, N C

    2014-11-01

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  9. Assessing 2D electrophoretic mobility spectroscopy (2D MOSY) for analytical applications.

    PubMed

    Fang, Yuan; Yushmanov, Pavel V; Furó, István

    2016-12-08

    Electrophoretic displacement of charged entity phase modulates the spectrum acquired in electrophoretic NMR experiments, and this modulation can be presented via 2D FT as 2D mobility spectroscopy (MOSY) spectra. We compare in various mixed solutions the chemical selectivity provided by 2D MOSY spectra with that provided by 2D diffusion-ordered spectroscopy (DOSY) spectra and demonstrate, under the conditions explored, a superior performance of the former method. 2D MOSY compares also favourably with closely related LC-NMR methods. The shape of 2D MOSY spectra in complex mixtures is strongly modulated by the pH of the sample, a feature that has potential for areas such as in drug discovery and metabolomics. Copyright © 2016 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd. StartCopTextCopyright © 2016 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.

  10. 2D Distributed Sensing Via TDR

    DTIC Science & Technology

    2007-11-02

    plate VEGF CompositeSensor Experimental Setup Air 279 mm 61 78 VARTM profile: slope RTM profile: rectangle 22 1 Jul 2003© 2003 University of Delaware...2003 University of Delaware All rights reserved Vision: Non-contact 2D sensing ü VARTM setup constructed within TL can be sensed by its EM field: 2D...300.0 mm/ns. 1 2 1 Jul 2003© 2003 University of Delaware All rights reserved Model Validation “ RTM Flow” TDR Response to 139 mm VEGC

  11. Inkjet printing of 2D layered materials.

    PubMed

    Li, Jiantong; Lemme, Max C; Östling, Mikael

    2014-11-10

    Inkjet printing of 2D layered materials, such as graphene and MoS2, has attracted great interests for emerging electronics. However, incompatible rheology, low concentration, severe aggregation and toxicity of solvents constitute critical challenges which hamper the manufacturing efficiency and product quality. Here, we introduce a simple and general technology concept (distillation-assisted solvent exchange) to efficiently overcome these challenges. By implementing the concept, we have demonstrated excellent jetting performance, ideal printing patterns and a variety of promising applications for inkjet printing of 2D layered materials.

  12. Parallel Stitching of 2D Materials.

    PubMed

    Ling, Xi; Lin, Yuxuan; Ma, Qiong; Wang, Ziqiang; Song, Yi; Yu, Lili; Huang, Shengxi; Fang, Wenjing; Zhang, Xu; Hsu, Allen L; Bie, Yaqing; Lee, Yi-Hsien; Zhu, Yimei; Wu, Lijun; Li, Ju; Jarillo-Herrero, Pablo; Dresselhaus, Mildred; Palacios, Tomás; Kong, Jing

    2016-03-23

    Diverse parallel stitched 2D heterostructures, including metal-semiconductor, semiconductor-semiconductor, and insulator-semiconductor, are synthesized directly through selective "sowing" of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. The methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  13. The basics of 2D DIGE.

    PubMed

    Beckett, Phil

    2012-01-01

    The technique of two-dimensional (2D) gel electrophoresis is a powerful tool for separating complex mixtures of proteins, but since its inception in the mid 1970s, it acquired the stigma of being a very difficult application to master and was generally used to its best effect by experts. The introduction of commercially available immobilized pH gradients in the early 1990s provided enhanced reproducibility and easier protocols, leading to a pronounced increase in popularity of the technique. However gel-to-gel variation was still difficult to control without the use of technical replicates. In the mid 1990s (at the same time as the birth of "proteomics"), the concept of multiplexing fluorescently labeled proteins for 2D gel separation was realized by Jon Minden's group and has led to the ability to design experiments to virtually eliminate gel-to-gel variation, resulting in biological replicates being used for statistical analysis with the ability to detect very small changes in relative protein abundance. This technology is referred to as 2D difference gel electrophoresis (2D DIGE).

  14. Parallel stitching of 2D materials

    DOE PAGES

    Ling, Xi; Wu, Lijun; Lin, Yuxuan; ...

    2016-01-27

    Diverse parallel stitched 2D heterostructures, including metal–semiconductor, semiconductor–semiconductor, and insulator–semiconductor, are synthesized directly through selective “sowing” of aromatic molecules as the seeds in the chemical vapor deposition (CVD) method. Lastly, the methodology enables the large-scale fabrication of lateral heterostructures, which offers tremendous potential for its application in integrated circuits.

  15. The Organic Flatland-Recent Advances in Synthetic 2D Organic Layers.

    PubMed

    Cai, Song-Liang; Zhang, Wei-Guang; Zuckermann, Ronald N; Li, Zhan-Ting; Zhao, Xin; Liu, Yi

    2015-10-14

    Ultrathin, 2D organic layers of sub-ten nanometer thicknesses and high aspect ratios have received a great deal of attention for their graphene-like topological features and emerging properties. Rational synthetic strategies have led to the realization of periodic 2D layers with unprecedented structural precision. Herein, recent progress on the synthesis of 2D organic layers, including methods based on both non-covalent and covalent interactions, is summarized, and potential applications are highlighted. Such 2D organic nanostructures have a brilliant future as prospective multifunctional materials, showing great promise as platforms for engineering novel optoelectronic, interfacial, and bioactive properties.

  16. Structural Complexity and Phonon Physics in 2D Arsenenes.

    PubMed

    Carrete, Jesús; Gallego, Luis J; Mingo, Natalio

    2017-03-15

    In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends crucially on temperature. We also show that one of those four phases is in fact mechanically unstable. Furthermore, our results challenge the common assumption of an inverse correlation between structural complexity and thermal conductivity. Instead, a richer picture emerges from our results, showing how harmonic interactions, anharmonicity, and symmetries all play a role in modulating thermal conduction in arsenenes. More generally, our conclusions highlight how vibrational properties are an essential element to be carefully taken into account in theoretical searches for new 2D materials.

  17. Regulation of Neuronal Survival Factor MEF2D by Chaperone-Mediated Autophagy

    PubMed Central

    Yang, Qian; She, Hua; Gearing, Marla; Colla, Emanuela; Lee, Michael; Shacka, John J.; Mao, Zixu

    2009-01-01

    Chaperone-mediated autophagy controls the degradation of selective cytosolic proteins and may protect neurons against degeneration. In a neuronal cell line, we found that chaperone-mediated autophagy regulated the activity of myocyte enhancer factor 2D (MEF2D), a transcription factor required for neuronal survival. MEF2D was observed to continuously shuttle to the cytoplasm, interact with the chaperone Hsc70, and undergo degradation. Inhibition of chaperone-mediated autophagy caused accumulation of inactive MEF2D in the cytoplasm. MEF2D levels were increased in the brains of α-synuclein transgenic mice and patients with Parkinson’s disease. Wild-type α-synuclein and a Parkinson’s disease–associated mutant disrupted the MEF2D-Hsc70 binding and led to neuronal death. Thus, chaperone-mediated autophagy modulates the neuronal survival machinery, and dysregulation of this pathway is associated with Parkinson’s disease. PMID:19119233

  18. Variation in the inhibitory potency of terbinafine among genetic variants of CYP2D6.

    PubMed

    Akiyoshi, Takeshi; Ishiuchi, Miho; Imaoka, Ayuko; Ohtani, Hisakazu

    2015-08-01

    Cytochrome P450 2D6 (CYP2D6) is a highly polymorphic enzyme that is involved in the metabolism of many drugs. Terbinafine (TER) is a CYP2D6 inhibitor and causes persistent drug interactions in the clinical setting; however, its inhibitory mechanism and the differences in its inhibitory potency among genetic variants of CYP2D6 remain to be investigated. This study aimed to investigate the inhibitory mechanism of TER and the differences in its inhibitory potency among three CYP2D6 variants, CYP2D6.1, CYP2D6.2, and CYP2D6.10. In a competitive inhibition study, the metabolic activity of the CYP2D6 was assessed based on their demethylation of dextromethorphan in the presence or absence of TER, and the time-dependency of the inhibitory effects were examined by preincubating the enzymes with TER. TER had weaker inhibitory effects on CYP2D6.2 and CYP2D6.10 than on CYP2D6.1; i.e., TER exhibited Ki values (the concentration of inhibitor that results in half-maximal inhibition) of 0.0525, 0.355, and 1.85 μM for CYP2D6.1, CYP2D6.2, and CYP2D6.10, respectively. The inhibitory effects of TER were not time-dependent. Since TER's Ki value for CYP2D6.10 was 35.2-fold higher than its Ki value for CYP2D6.1, the CYP2D6 genotype of subjects should be taken into account when estimating the severity of drug interactions involving TER.

  19. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology

    PubMed Central

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-01-01

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct “beyond graphene” domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials. PMID:26861346

  20. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology.

    PubMed

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-02-06

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct "beyond graphene" domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials.

  1. Metoclopramide is metabolized by CYP2D6 and is a reversible inhibitor, but not inactivator, of CYP2D6.

    PubMed

    Livezey, Mara R; Briggs, Erran D; Bolles, Amanda K; Nagy, Leslie D; Fujiwara, Rina; Furge, Laura Lowe

    2014-04-01

    1. Metoclopramide is a widely used clinical drug in a variety of medical settings with rare acute dystonic events reported. The aim of this study was to assess a previous report of inactivation of CYP2D6 by metoclopramide, to determine the contribution of various CYPs to metoclopramide metabolism, and to identify the mono-oxygenated products of metoclopramide metabolism. 2. Metoclopramide interacted with CYP2D6 with Type I binding and a Ks value of 9.56 ± 1.09 µM. CYP2D6 was the major metabolizer of metoclopramide and the two major products were N-deethylation of the diethyl amine and N-hydroxylation on the phenyl ring amine. CYPs 1A2, 2C9, 2C19, and 3A4 also metabolized metoclopramide. 3. While reversible inhibition of CYP2D6 was noted, CYP2D6 inactivation by metoclopramide was not observed under conditions of varying concentration or varying time using Supersomes(TM) or pooled human liver microsomes. 4. The major metabolites of metoclopramide were N-hydroxylation and N-deethylation formed most efficiently by CYP2D6 but also formed by all CYPs examined. Also, while metoclopramide is metabolized primarily by CYP2D6, it is not a mechanism-based inactivator of CYP2D6 in vitro.

  2. The 2D and 3D hypersonic flows with unstructured meshes

    NASA Technical Reports Server (NTRS)

    Thareja, Rajiv

    1993-01-01

    Viewgraphs on 2D and 3D hypersonic flows with unstructured meshes are presented. Topics covered include: mesh generation, mesh refinement, shock-shock interaction, velocity contours, mesh movement, vehicle bottom surface, and adapted meshes.

  3. Schottky diodes from 2D germanane

    NASA Astrophysics Data System (ADS)

    Sahoo, Nanda Gopal; Esteves, Richard J.; Punetha, Vinay Deep; Pestov, Dmitry; Arachchige, Indika U.; McLeskey, James T.

    2016-07-01

    We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe2 framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.

  4. Extrinsic Cation Selectivity of 2D Membranes

    PubMed Central

    2017-01-01

    From a systematic study of the concentration driven diffusion of positive and negative ions across porous 2D membranes of graphene and hexagonal boron nitride (h-BN), we prove their cation selectivity. Using the current–voltage characteristics of graphene and h-BN monolayers separating reservoirs of different salt concentrations, we calculate the reversal potential as a measure of selectivity. We tune the Debye screening length by exchanging the salt concentrations and demonstrate that negative surface charge gives rise to cation selectivity. Surprisingly, h-BN and graphene membranes show similar characteristics, strongly suggesting a common origin of selectivity in aqueous solvents. For the first time, we demonstrate that the cation flux can be increased by using ozone to create additional pores in graphene while maintaining excellent selectivity. We discuss opportunities to exploit our scalable method to use 2D membranes for applications including osmotic power conversion. PMID:28157333

  5. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Lin, Jerry

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  6. Quasiparticle interference in unconventional 2D systems

    NASA Astrophysics Data System (ADS)

    Chen, Lan; Cheng, Peng; Wu, Kehui

    2017-03-01

    At present, research of 2D systems mainly focuses on two kinds of materials: graphene-like materials and transition-metal dichalcogenides (TMDs). Both of them host unconventional 2D electronic properties: pseudospin and the associated chirality of electrons in graphene-like materials, and spin-valley-coupled electronic structures in the TMDs. These exotic electronic properties have attracted tremendous interest for possible applications in nanodevices in the future. Investigation on the quasiparticle interference (QPI) in 2D systems is an effective way to uncover these properties. In this review, we will begin with a brief introduction to 2D systems, including their atomic structures and electronic bands. Then, we will discuss the formation of Friedel oscillation due to QPI in constant energy contours of electron bands, and show the basic concept of Fourier-transform scanning tunneling microscopy/spectroscopy (FT-STM/STS), which can resolve Friedel oscillation patterns in real space and consequently obtain the QPI patterns in reciprocal space. In the next two parts, we will summarize some pivotal results in the investigation of QPI in graphene and silicene, in which systems the low-energy quasiparticles are described by the massless Dirac equation. The FT-STM experiments show there are two different interference channels (intervalley and intravalley scattering) and backscattering suppression, which associate with the Dirac cones and the chirality of quasiparticles. The monolayer and bilayer graphene on different substrates (SiC and metal surfaces), and the monolayer and multilayer silicene on a Ag(1 1 1) surface will be addressed. The fifth part will introduce the FT-STM research on QPI in TMDs (monolayer and bilayer of WSe2), which allow us to infer the spin texture of both conduction and valence bands, and present spin-valley coupling by tracking allowed and forbidden scattering channels.

  7. Compact 2-D graphical representation of DNA

    NASA Astrophysics Data System (ADS)

    Randić, Milan; Vračko, Marjan; Zupan, Jure; Novič, Marjana

    2003-05-01

    We present a novel 2-D graphical representation for DNA sequences which has an important advantage over the existing graphical representations of DNA in being very compact. It is based on: (1) use of binary labels for the four nucleic acid bases, and (2) use of the 'worm' curve as template on which binary codes are placed. The approach is illustrated on DNA sequences of the first exon of human β-globin and gorilla β-globin.

  8. 2D Metals by Repeated Size Reduction.

    PubMed

    Liu, Hanwen; Tang, Hao; Fang, Minghao; Si, Wenjie; Zhang, Qinghua; Huang, Zhaohui; Gu, Lin; Pan, Wei; Yao, Jie; Nan, Cewen; Wu, Hui

    2016-10-01

    A general and convenient strategy for manufacturing freestanding metal nanolayers is developed on large scale. By the simple process of repeatedly folding and calendering stacked metal sheets followed by chemical etching, free-standing 2D metal (e.g., Ag, Au, Fe, Cu, and Ni) nanosheets are obtained with thicknesses as small as 1 nm and with sizes of the order of several micrometers.

  9. Realistic and efficient 2D crack simulation

    NASA Astrophysics Data System (ADS)

    Yadegar, Jacob; Liu, Xiaoqing; Singh, Abhishek

    2010-04-01

    Although numerical algorithms for 2D crack simulation have been studied in Modeling and Simulation (M&S) and computer graphics for decades, realism and computational efficiency are still major challenges. In this paper, we introduce a high-fidelity, scalable, adaptive and efficient/runtime 2D crack/fracture simulation system by applying the mathematically elegant Peano-Cesaro triangular meshing/remeshing technique to model the generation of shards/fragments. The recursive fractal sweep associated with the Peano-Cesaro triangulation provides efficient local multi-resolution refinement to any level-of-detail. The generated binary decomposition tree also provides efficient neighbor retrieval mechanism used for mesh element splitting and merging with minimal memory requirements essential for realistic 2D fragment formation. Upon load impact/contact/penetration, a number of factors including impact angle, impact energy, and material properties are all taken into account to produce the criteria of crack initialization, propagation, and termination leading to realistic fractal-like rubble/fragments formation. The aforementioned parameters are used as variables of probabilistic models of cracks/shards formation, making the proposed solution highly adaptive by allowing machine learning mechanisms learn the optimal values for the variables/parameters based on prior benchmark data generated by off-line physics based simulation solutions that produce accurate fractures/shards though at highly non-real time paste. Crack/fracture simulation has been conducted on various load impacts with different initial locations at various impulse scales. The simulation results demonstrate that the proposed system has the capability to realistically and efficiently simulate 2D crack phenomena (such as window shattering and shards generation) with diverse potentials in military and civil M&S applications such as training and mission planning.

  10. Engineering light outcoupling in 2D materials.

    PubMed

    Lien, Der-Hsien; Kang, Jeong Seuk; Amani, Matin; Chen, Kevin; Tosun, Mahmut; Wang, Hsin-Ping; Roy, Tania; Eggleston, Michael S; Wu, Ming C; Dubey, Madan; Lee, Si-Chen; He, Jr-Hau; Javey, Ali

    2015-02-11

    When light is incident on 2D transition metal dichalcogenides (TMDCs), it engages in multiple reflections within underlying substrates, producing interferences that lead to enhancement or attenuation of the incoming and outgoing strength of light. Here, we report a simple method to engineer the light outcoupling in semiconducting TMDCs by modulating their dielectric surroundings. We show that by modulating the thicknesses of underlying substrates and capping layers, the interference caused by substrate can significantly enhance the light absorption and emission of WSe2, resulting in a ∼11 times increase in Raman signal and a ∼30 times increase in the photoluminescence (PL) intensity of WSe2. On the basis of the interference model, we also propose a strategy to control the photonic and optoelectronic properties of thin-layer WSe2. This work demonstrates the utilization of outcoupling engineering in 2D materials and offers a new route toward the realization of novel optoelectronic devices, such as 2D LEDs and solar cells.

  11. Irreversibility-inversions in 2D turbulence

    NASA Astrophysics Data System (ADS)

    Bragg, Andrew; de Lillo, Filippo; Boffetta, Guido

    2016-11-01

    We consider a recent theoretical prediction that for inertial particles in 2D turbulence, the nature of the irreversibility of their pair dispersion inverts when the particle inertia exceeds a certain value. In particular, when the particle Stokes number, St , is below a certain value, the forward-in-time (FIT) dispersion should be faster than the backward-in-time (BIT) dispersion, but for St above this value, this should invert so that BIT becomes faster than FIT dispersion. This non-trivial behavior arises because of the competition between two physically distinct irreversibility mechanisms that operate in different regimes of St . In 3D turbulence, both mechanisms act to produce faster BIT than FIT dispersion, but in 2D, the two mechanisms have opposite effects because of the inverse energy cascade in the turbulent velocity field. We supplement the qualitative argument given by Bragg et al. by deriving quantitative predictions of this effect in the short-time dispersion limit. These predictions are then confirmed by results of inertial particle dispersion in a direct numerical simulation of 2D turbulence.

  12. 2D Magneto-Optical Trapping of Diatomic Molecules

    NASA Astrophysics Data System (ADS)

    Hummon, Matthew T.; Yeo, Mark; Stuhl, Benjamin K.; Collopy, Alejandra L.; Xia, Yong; Ye, Jun

    2013-04-01

    We demonstrate one- and two-dimensional transverse laser cooling and magneto-optical trapping of the polar molecule yttrium (II) oxide (YO). In a 1D magneto-optical trap (MOT), we characterize the magneto-optical trapping force and decrease the transverse temperature by an order of magnitude, from 25 to 2 mK, limited by interaction time. In a 2D MOT, we enhance the intensity of the YO beam and reduce the transverse temperature in both transverse directions. The approach demonstrated here can be applied to many molecular species and can also be extended to 3D.

  13. Quantifying Therapeutic and Diagnostic Efficacy in 2D Microvascular Images

    NASA Technical Reports Server (NTRS)

    Parsons-Wingerter, Patricia; Vickerman, Mary B.; Keith, Patricia A.

    2009-01-01

    VESGEN is a newly automated, user-interactive program that maps and quantifies the effects of vascular therapeutics and regulators on microvascular form and function. VESGEN analyzes two-dimensional, black and white vascular images by measuring important vessel morphology parameters. This software guides the user through each required step of the analysis process via a concise graphical user interface (GUI). Primary applications of the VESGEN code are 2D vascular images acquired as clinical diagnostic images of the human retina and as experimental studies of the effects of vascular regulators and therapeutics on vessel remodeling.

  14. Fully automated 2D-3D registration and verification.

    PubMed

    Varnavas, Andreas; Carrell, Tom; Penney, Graeme

    2015-12-01

    Clinical application of 2D-3D registration technology often requires a significant amount of human interaction during initialisation and result verification. This is one of the main barriers to more widespread clinical use of this technology. We propose novel techniques for automated initial pose estimation of the 3D data and verification of the registration result, and show how these techniques can be combined to enable fully automated 2D-3D registration, particularly in the case of a vertebra based system. The initialisation method is based on preoperative computation of 2D templates over a wide range of 3D poses. These templates are used to apply the Generalised Hough Transform to the intraoperative 2D image and the sought 3D pose is selected with the combined use of the generated accumulator arrays and a Gradient Difference Similarity Measure. On the verification side, two algorithms are proposed: one using normalised features based on the similarity value and the other based on the pose agreement between multiple vertebra based registrations. The proposed methods are employed here for CT to fluoroscopy registration and are trained and tested with data from 31 clinical procedures with 417 low dose, i.e. low quality, high noise interventional fluoroscopy images. When similarity value based verification is used, the fully automated system achieves a 95.73% correct registration rate, whereas a no registration result is produced for the remaining 4.27% of cases (i.e. incorrect registration rate is 0%). The system also automatically detects input images outside its operating range.

  15. Report of the 1988 2-D Intercomparison Workshop, chapter 3

    NASA Technical Reports Server (NTRS)

    Jackman, Charles H.; Brasseur, Guy; Soloman, Susan; Guthrie, Paul D.; Garcia, Rolando; Yung, Yuk L.; Gray, Lesley J.; Tung, K. K.; Ko, Malcolm K. W.; Isaken, Ivar

    1989-01-01

    Several factors contribute to the errors encountered. With the exception of the line-by-line model, all of the models employ simplifying assumptions that place fundamental limits on their accuracy and range of validity. For example, all 2-D modeling groups use the diffusivity factor approximation. This approximation produces little error in tropospheric H2O and CO2 cooling rates, but can produce significant errors in CO2 and O3 cooling rates at the stratopause. All models suffer from fundamental uncertainties in shapes and strengths of spectral lines. Thermal flux algorithms being used in 2-D tracer tranport models produce cooling rates that differ by as much as 40 percent for the same input model atmosphere. Disagreements of this magnitude are important since the thermal cooling rates must be subtracted from the almost-equal solar heating rates to derive the net radiative heating rates and the 2-D model diabatic circulation. For much of the annual cycle, the net radiative heating rates are comparable in magnitude to the cooling rate differences described. Many of the models underestimate the cooling rates in the middle and lower stratosphere. The consequences of these errors for the net heating rates and the diabatic circulation will depend on their meridional structure, which was not tested here. Other models underestimate the cooling near 1 mbar. Suchs errors pose potential problems for future interactive ozone assessment studies, since they could produce artificially-high temperatures and increased O3 destruction at these levels. These concerns suggest that a great deal of work is needed to improve the performance of thermal cooling rate algorithms used in the 2-D tracer transport models.

  16. Differential patterns of 2D location versus depth decoding along the visual hierarchy.

    PubMed

    Finlayson, Nonie J; Zhang, Xiaoli; Golomb, Julie D

    2017-02-15

    Visual information is initially represented as 2D images on the retina, but our brains are able to transform this input to perceive our rich 3D environment. While many studies have explored 2D spatial representations or depth perception in isolation, it remains unknown if or how these processes interact in human visual cortex. Here we used functional MRI and multi-voxel pattern analysis to investigate the relationship between 2D location and position-in-depth information. We stimulated different 3D locations in a blocked design: each location was defined by horizontal, vertical, and depth position. Participants remained fixated at the center of the screen while passively viewing the peripheral stimuli with red/green anaglyph glasses. Our results revealed a widespread, systematic transition throughout visual cortex. As expected, 2D location information (horizontal and vertical) could be strongly decoded in early visual areas, with reduced decoding higher along the visual hierarchy, consistent with known changes in receptive field sizes. Critically, we found that the decoding of position-in-depth information tracked inversely with the 2D location pattern, with the magnitude of depth decoding gradually increasing from intermediate to higher visual and category regions. Representations of 2D location information became increasingly location-tolerant in later areas, where depth information was also tolerant to changes in 2D location. We propose that spatial representations gradually transition from 2D-dominant to balanced 3D (2D and depth) along the visual hierarchy.

  17. Screening and transport in 2D semiconductor systems at low temperatures.

    PubMed

    Das Sarma, S; Hwang, E H

    2015-11-17

    Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility, and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover.

  18. Screening and transport in 2D semiconductor systems at low temperatures

    PubMed Central

    Das Sarma, S.; Hwang, E. H.

    2015-01-01

    Low temperature carrier transport properties in 2D semiconductor systems can be theoretically well-understood within RPA-Boltzmann theory as being limited by scattering from screened Coulomb disorder arising from random quenched charged impurities in the environment. In this work, we derive a number of analytical formula, supported by realistic numerical calculations, for the relevant density, mobility, and temperature range where 2D transport should manifest strong intrinsic (i.e., arising purely from electronic effects) metallic temperature dependence in different semiconductor materials arising entirely from the 2D screening properties, thus providing an explanation for why the strong temperature dependence of the 2D resistivity can only be observed in high-quality and low-disorder 2D samples and also why some high-quality 2D materials manifest much weaker metallicity than other materials. We also discuss effects of interaction and disorder on the 2D screening properties in this context as well as compare 2D and 3D screening functions to comment why such a strong intrinsic temperature dependence arising from screening cannot occur in 3D metallic carrier transport. Experimentally verifiable predictions are made about the quantitative magnitude of the maximum possible low-temperature metallicity in 2D systems and the scaling behavior of the temperature scale controlling the quantum to classical crossover. PMID:26572738

  19. Periodically sheared 2D Yukawa systems

    SciTech Connect

    Kovács, Anikó Zsuzsa; Hartmann, Peter; Donkó, Zoltán

    2015-10-15

    We present non-equilibrium molecular dynamics simulation studies on the dynamic (complex) shear viscosity of a 2D Yukawa system. We have identified a non-monotonic frequency dependence of the viscosity at high frequencies and shear rates, an energy absorption maximum (local resonance) at the Einstein frequency of the system at medium shear rates, an enhanced collective wave activity, when the excitation is near the plateau frequency of the longitudinal wave dispersion, and the emergence of significant configurational anisotropy at small frequencies and high shear rates.

  20. ENERGY LANDSCAPE OF 2D FLUID FORMS

    SciTech Connect

    Y. JIANG; ET AL

    2000-04-01

    The equilibrium states of 2D non-coarsening fluid foams, which consist of bubbles with fixed areas, correspond to local minima of the total perimeter. (1) The authors find an approximate value of the global minimum, and determine directly from an image how far a foam is from its ground state. (2) For (small) area disorder, small bubbles tend to sort inwards and large bubbles outwards. (3) Topological charges of the same sign repel while charges of opposite sign attract. (4) They discuss boundary conditions and the uniqueness of the pattern for fixed topology.

  1. Codon Constraints on Closed 2D Shapes,

    DTIC Science & Technology

    2014-09-26

    19843$ CODON CONSTRAINTS ON CLOSED 2D SHAPES Go Whitman Richards "I Donald D. Hoffman’ D T 18 Abstract: Codons are simple primitives for describing plane...RSONAL AUT"ORtIS) Richards, Whitman & Hoffman, Donald D. 13&. TYPE OF REPORT 13b. TIME COVERED N/A P8 AT F RRrT t~r. Ago..D,) is, PlE COUNT Reprint...outlines, if figure and ground are ignored. Later, we will address the problem of indexing identical codon descriptors that have different figure

  2. Remarks on thermalization in 2D CFT

    NASA Astrophysics Data System (ADS)

    de Boer, Jan; Engelhardt, Dalit

    2016-12-01

    We revisit certain aspects of thermalization in 2D conformal field theory (CFT). In particular, we consider similarities and differences between the time dependence of correlation functions in various states in rational and non-rational CFTs. We also consider the distinction between global and local thermalization and explain how states obtained by acting with a diffeomorphism on the ground state can appear locally thermal, and we review why the time-dependent expectation value of the energy-momentum tensor is generally a poor diagnostic of global thermalization. Since all 2D CFTs have an infinite set of commuting conserved charges, generic initial states might be expected to give rise to a generalized Gibbs ensemble rather than a pure thermal ensemble at late times. We construct the holographic dual of the generalized Gibbs ensemble and show that, to leading order, it is still described by a Banados-Teitelboim-Zanelli black hole. The extra conserved charges, while rendering c <1 theories essentially integrable, therefore seem to have little effect on large-c conformal field theories.

  3. The Influence of Facial Characteristics on the Relation between Male 2D:4D and Dominance

    PubMed Central

    Ryckmans, Jan; Millet, Kobe; Warlop, Luk

    2015-01-01

    Although relations between 2D:4D and dominance rank in both baboons and rhesus macaques have been observed, evidence in humans is mixed. Whereas behavioral patterns in humans have been discovered that are consistent with these animal findings, the evidence for a relation between dominance and 2D:4D is weak or inconsistent. The present study provides experimental evidence that male 2D:4D is related to dominance after (fictitious) male-male interaction when the other man has a dominant, but not a submissive or neutral face. This finding provides evidence that the relationship between 2D:4D and dominance emerges in particular, predictable situations and that merely dominant facial characteristics of another person are enough to activate supposed relationships between 2D:4D and dominance. PMID:26600255

  4. 2-D or not 2-D, that is the question: A Northern California test

    SciTech Connect

    Mayeda, K; Malagnini, L; Phillips, W S; Walter, W R; Dreger, D

    2005-06-06

    Reliable estimates of the seismic source spectrum are necessary for accurate magnitude, yield, and energy estimation. In particular, how seismic radiated energy scales with increasing earthquake size has been the focus of recent debate within the community and has direct implications on earthquake source physics studies as well as hazard mitigation. The 1-D coda methodology of Mayeda et al. has provided the lowest variance estimate of the source spectrum when compared against traditional approaches that use direct S-waves, thus making it ideal for networks that have sparse station distribution. The 1-D coda methodology has been mostly confined to regions of approximately uniform complexity. For larger, more geophysically complicated regions, 2-D path corrections may be required. The complicated tectonics of the northern California region coupled with high quality broadband seismic data provides for an ideal ''apples-to-apples'' test of 1-D and 2-D path assumptions on direct waves and their coda. Using the same station and event distribution, we compared 1-D and 2-D path corrections and observed the following results: (1) 1-D coda results reduced the amplitude variance relative to direct S-waves by roughly a factor of 8 (800%); (2) Applying a 2-D correction to the coda resulted in up to 40% variance reduction from the 1-D coda results; (3) 2-D direct S-wave results, though better than 1-D direct waves, were significantly worse than the 1-D coda. We found that coda-based moment-rate source spectra derived from the 2-D approach were essentially identical to those from the 1-D approach for frequencies less than {approx}0.7-Hz, however for the high frequencies (0.7{le} f {le} 8.0-Hz), the 2-D approach resulted in inter-station scatter that was generally 10-30% smaller. For complex regions where data are plentiful, a 2-D approach can significantly improve upon the simple 1-D assumption. In regions where only 1-D coda correction is available it is still preferable over 2

  5. Transition to turbulence: 2D directed percolation

    NASA Astrophysics Data System (ADS)

    Chantry, Matthew; Tuckerman, Laurette; Barkley, Dwight

    2016-11-01

    The transition to turbulence in simple shear flows has been studied for well over a century, yet in the last few years has seen major leaps forward. In pipe flow, this transition shows the hallmarks of (1 + 1) D directed percolation, a universality class of continuous phase transitions. In spanwisely confined Taylor-Couette flow the same class is found, suggesting the phenomenon is generic to shear flows. However in plane Couette flow the largest simulations and experiments to-date find evidence for a discrete transition. Here we study a planar shear flow, called Waleffe flow, devoid of walls yet showing the fundamentals of planar transition to turbulence. Working with a quasi-2D yet Navier-Stokes derived model of this flow we are able to attack the (2 + 1) D transition problem. Going beyond the system sizes previously possible we find all of the required scalings of directed percolation and thus establish planar shears flow in this class.

  6. 2D Electrostatic Actuation of Microshutter Arrays

    NASA Technical Reports Server (NTRS)

    Burns, Devin E.; Oh, Lance H.; Li, Mary J.; Jones, Justin S.; Kelly, Daniel P.; Zheng, Yun; Kutyrev, Alexander S.; Moseley, Samuel H.

    2015-01-01

    An electrostatically actuated microshutter array consisting of rotational microshutters (shutters that rotate about a torsion bar) were designed and fabricated through the use of models and experiments. Design iterations focused on minimizing the torsional stiffness of the microshutters, while maintaining their structural integrity. Mechanical and electromechanical test systems were constructed to measure the static and dynamic behavior of the microshutters. The torsional stiffness was reduced by a factor of four over initial designs without sacrificing durability. Analysis of the resonant behavior of the microshutter arrays demonstrates that the first resonant mode is a torsional mode occurring around 3000 Hz. At low vacuum pressures, this resonant mode can be used to significantly reduce the drive voltage necessary for actuation requiring as little as 25V. 2D electrostatic latching and addressing was demonstrated using both a resonant and pulsed addressing scheme.

  7. Graphene suspensions for 2D printing

    NASA Astrophysics Data System (ADS)

    Soots, R. A.; Yakimchuk, E. A.; Nebogatikova, N. A.; Kotin, I. A.; Antonova, I. V.

    2016-04-01

    It is shown that, by processing a graphite suspension in ethanol or water by ultrasound and centrifuging, it is possible to obtain particles with thicknesses within 1-6 nm and, in the most interesting cases, 1-1.5 nm. Analogous treatment of a graphite suspension in organic solvent yields eventually thicker particles (up to 6-10 nm thick) even upon long-term treatment. Using the proposed ink based on graphene and aqueous ethanol with ethylcellulose and terpineol additives for 2D printing, thin (~5 nm thick) films with sheet resistance upon annealing ~30 MΩ/□ were obtained. With the ink based on aqueous graphene suspension, the sheet resistance was ~5-12 kΩ/□ for 6- to 15-nm-thick layers with a carrier mobility of ~30-50 cm2/(V s).

  8. Canard configured aircraft with 2-D nozzle

    NASA Technical Reports Server (NTRS)

    Child, R. D.; Henderson, W. P.

    1978-01-01

    A closely-coupled canard fighter with vectorable two-dimensional nozzle was designed for enhanced transonic maneuvering. The HiMAT maneuver goal of a sustained 8g turn at a free-stream Mach number of 0.9 and 30,000 feet was the primary design consideration. The aerodynamic design process was initiated with a linear theory optimization minimizing the zero percent suction drag including jet effects and refined with three-dimensional nonlinear potential flow techniques. Allowances were made for mutual interference and viscous effects. The design process to arrive at the resultant configuration is described, and the design of a powered 2-D nozzle model to be tested in the LRC 16-foot Propulsion Wind Tunnel is shown.

  9. Numerical Evaluation of 2D Ground States

    NASA Astrophysics Data System (ADS)

    Kolkovska, Natalia

    2016-02-01

    A ground state is defined as the positive radial solution of the multidimensional nonlinear problem \\varepsilon propto k_ bot 1 - ξ with the function f being either f(u) =a|u|p-1u or f(u) =a|u|pu+b|u|2pu. The numerical evaluation of ground states is based on the shooting method applied to an equivalent dynamical system. A combination of fourth order Runge-Kutta method and Hermite extrapolation formula is applied to solving the resulting initial value problem. The efficiency of this procedure is demonstrated in the 1D case, where the maximal difference between the exact and numerical solution is ≈ 10-11 for a discretization step 0:00025. As a major application, we evaluate numerically the critical energy constant. This constant is defined as a functional of the ground state and is used in the study of the 2D Boussinesq equations.

  10. Metrology for graphene and 2D materials

    NASA Astrophysics Data System (ADS)

    Pollard, Andrew J.

    2016-09-01

    The application of graphene, a one atom-thick honeycomb lattice of carbon atoms with superlative properties, such as electrical conductivity, thermal conductivity and strength, has already shown that it can be used to benefit metrology itself as a new quantum standard for resistance. However, there are many application areas where graphene and other 2D materials, such as molybdenum disulphide (MoS2) and hexagonal boron nitride (h-BN), may be disruptive, areas such as flexible electronics, nanocomposites, sensing and energy storage. Applying metrology to the area of graphene is now critical to enable the new, emerging global graphene commercial world and bridge the gap between academia and industry. Measurement capabilities and expertise in a wide range of scientific areas are required to address this challenge. The combined and complementary approach of varied characterisation methods for structural, chemical, electrical and other properties, will allow the real-world issues of commercialising graphene and other 2D materials to be addressed. Here, examples of metrology challenges that have been overcome through a multi-technique or new approach are discussed. Firstly, the structural characterisation of defects in both graphene and MoS2 via Raman spectroscopy is described, and how nanoscale mapping of vacancy defects in graphene is also possible using tip-enhanced Raman spectroscopy (TERS). Furthermore, the chemical characterisation and removal of polymer residue on chemical vapour deposition (CVD) grown graphene via secondary ion mass spectrometry (SIMS) is detailed, as well as the chemical characterisation of iron films used to grow large domain single-layer h-BN through CVD growth, revealing how contamination of the substrate itself plays a role in the resulting h-BN layer. In addition, the role of international standardisation in this area is described, outlining the current work ongoing in both the International Organization of Standardization (ISO) and the

  11. Numerical Simulation of Supersonic Compression Corners and Hypersonic Inlet Flows Using the RPLUS2D Code

    NASA Technical Reports Server (NTRS)

    Kapoor, Kamlesh; Anderson, Bernhard H.; Shaw, Robert J.

    1994-01-01

    A two-dimensional computational code, PRLUS2D, which was developed for the reactive propulsive flows of ramjets and scramjets, was validated for two-dimensional shock-wave/turbulent-boundary-layer interactions. The problem of compression corners at supersonic speeds was solved using the RPLUS2D code. To validate the RPLUS2D code for hypersonic speeds, it was applied to a realistic hypersonic inlet geometry. Both the Baldwin-Lomax and the Chien two-equation turbulence models were used. Computational results showed that the RPLUS2D code compared very well with experimentally obtained data for supersonic compression corner flows, except in the case of large separated flows resulting from the interactions between the shock wave and turbulent boundary layer. The computational results compared well with the experiment results in a hypersonic NASA P8 inlet case, with the Chien two-equation turbulence model performing better than the Baldwin-Lomax model.

  12. The IDOL–UBE2D complex mediates sterol-dependent degradation of the LDL receptor

    PubMed Central

    Zhang, Li; Fairall, Louise; Goult, Benjamin T.; Calkin, Anna C.; Hong, Cynthia; Millard, Christopher J.; Tontonoz, Peter; Schwabe, John W.R.

    2011-01-01

    We previously identified the E3 ubiquitin ligase IDOL as a sterol-dependent regulator of the LDL receptor (LDLR). The molecular pathway underlying IDOL action, however, remains to be determined. Here we report the identification and biochemical and structural characterization of an E2–E3 ubiquitin ligase complex for LDLR degradation. We identified the UBE2D family (UBE2D1–4) as E2 partners for IDOL that support both autoubiquitination and IDOL-dependent ubiquitination of the LDLR in a cell-free system. NMR chemical shift mapping and a 2.1 Å crystal structure of the IDOL RING domain–UBE2D1 complex revealed key interactions between the dimeric IDOL protein and the E2 enzyme. Analysis of the IDOL–UBE2D1 interface also defined the stereochemical basis for the selectivity of IDOL for UBE2Ds over other E2 ligases. Structure-based mutations that inhibit IDOL dimerization or IDOL–UBE2D interaction block IDOL-dependent LDLR ubiquitination and degradation. Furthermore, expression of a dominant-negative UBE2D enzyme inhibits the ability of IDOL to degrade the LDLR in cells. These results identify the IDOL–UBE2D complex as an important determinant of LDLR activity, and provide insight into molecular mechanisms underlying the regulation of cholesterol uptake. PMID:21685362

  13. A review of 3D/2D registration methods for image-guided interventions.

    PubMed

    Markelj, P; Tomaževič, D; Likar, B; Pernuš, F

    2012-04-01

    Registration of pre- and intra-interventional data is one of the key technologies for image-guided radiation therapy, radiosurgery, minimally invasive surgery, endoscopy, and interventional radiology. In this paper, we survey those 3D/2D data registration methods that utilize 3D computer tomography or magnetic resonance images as the pre-interventional data and 2D X-ray projection images as the intra-interventional data. The 3D/2D registration methods are reviewed with respect to image modality, image dimensionality, registration basis, geometric transformation, user interaction, optimization procedure, subject, and object of registration.

  14. The effects of aging on haptic 2D shape recognition.

    PubMed

    Overvliet, Krista E; Wagemans, J; Krampe, Ralf T

    2013-12-01

    We use the image-mediation model (Klatzky & Lederman, 1987) as a framework to investigate potential sources of adult age differences in the haptic recognition of two-dimensional (2D) shapes. This model states that the low-resolution, temporally sequential, haptic input is translated into a visual image, which is then reperceived through the visual processors, before it is matched against a long-term memory representation and named. In three experiments we tested groups of 12 older (mean age 73.11) and three groups of 12 young adults (mean age 22.80) each. In Experiment 1 we confirm age-related differences in haptic 2D shape recognition, and we show the typical age × complexity interaction. In Experiment 2 we show that if we facilitate the visual translation process, age differences become smaller, but only with simple shapes and not with the more complex everyday objects. In Experiment 3 we target the last step in the model (matching and naming) for complex stimuli. We found that age differences in exploration time were considerably reduced when this component process was facilitated by providing a category name. We conclude that the image-mediation model can explain adult-age differences in haptic recognition, particularly if the role of working memory in forming the transient visual image is considered. Our findings suggest that sensorimotor skills thought to rely on peripheral processes for the most part are critically constrained by age-related changes in central processing capacity in later adulthood.

  15. 2D to 3D transition of polymeric carbon nitride nanosheets

    SciTech Connect

    Chamorro-Posada, Pedro; Vázquez-Cabo, José; Martín-Ramos, Pablo; Martín-Gil, Jesús; Navas-Gracia, Luis M.; Dante, Roberto C.

    2014-11-15

    The transition from a prevalent turbostratic arrangement with low planar interactions (2D) to an array of polymeric carbon nitride nanosheets with stronger interplanar interactions (3D), occurring for samples treated above 650 °C, was detected by terahertz-time domain spectroscopy (THz-TDS). The simulated 3D material made of stacks of shifted quasi planar sheets composed of zigzagged polymer ribbons, delivered a XRD simulated pattern in relatively good agreement with the experimental one. The 2D to 3D transition was also supported by the simulation of THz-TDS spectra obtained from quantum chemistry calculations, in which the same broad bands around 2 THz and 1.5 THz were found for 2D and 3D arrays, respectively. This transition was also in accordance with the tightening of the interplanar distance probably due to an interplanar π bond contribution, as evidenced also by a broad absorption around 2.6 eV in the UV–vis spectrum, which appeared in the sample treated at 650 °C, and increased in the sample treated at 700 °C. The band gap was calculated for 1D and 2D cases. The value of 3.374 eV for the 2D case is, within the model accuracy and precision, in a relative good agreement with the value of 3.055 eV obtained from the experimental results. - Graphical abstract: 2D lattice mode vibrations and structural changes correlated with the so called “2D to 3D transition”. - Highlights: • A 2D to 3D transition has been detected for polymeric carbon nitride. • THz-TDS allowed us to discover and detect the 2D to 3D transition of polymeric carbon nitride. • We propose a structure for polymeric carbon nitride confirming it with THz-TDS.

  16. Persistence Measures for 2d Soap Froth

    NASA Astrophysics Data System (ADS)

    Feng, Y.; Ruskin, H. J.; Zhu, B.

    Soap froths as typical disordered cellular structures, exhibiting spatial and temporal evolution, have been studied through their distributions and topological properties. Recently, persistence measures, which permit representation of the froth as a two-phase system, have been introduced to study froth dynamics at different length scales. Several aspects of the dynamics may be considered and cluster persistence has been observed through froth experiment. Using a direct simulation method, we have investigated persistent properties in 2D froth both by monitoring the persistence of survivor cells, a topologically independent measure, and in terms of cluster persistence. It appears that the area fraction behavior for both survivor and cluster persistence is similar for Voronoi froth and uniform froth (with defects). Survivor and cluster persistent fractions are also similar for a uniform froth, particularly when geometries are constrained, but differences observed for the Voronoi case appear to be attributable to the strong topological dependency inherent in cluster persistence. Survivor persistence, on the other hand, depends on the number rather than size and position of remaining bubbles and does not exhibit the characteristic decay to zero.

  17. SEM signal emulation for 2D patterns

    NASA Astrophysics Data System (ADS)

    Sukhov, Evgenii; Muelders, Thomas; Klostermann, Ulrich; Gao, Weimin; Braylovska, Mariya

    2016-03-01

    The application of accurate and predictive physical resist simulation is seen as one important use model for fast and efficient exploration of new patterning technology options, especially if fully qualified OPC models are not yet available at an early pre-production stage. The methodology of using a top-down CD-SEM metrology to extract the 3D resist profile information, such as the critical dimension (CD) at various resist heights, has to be associated with a series of presumptions which may introduce such small, but systematic CD errors. Ideally, the metrology effects should be carefully minimized during measurement process, or if possible be taken into account through proper metrology modeling. In this paper we discuss the application of a fast SEM signal emulation describing the SEM image formation. The algorithm is applied to simulated resist 3D profiles and produces emulated SEM image results for 1D and 2D patterns. It allows estimating resist simulation quality by comparing CDs which were extracted from the emulated and from the measured SEM images. Moreover, SEM emulation is applied for resist model calibration to capture subtle error signatures through dose and defocus. Finally, it should be noted that our SEM emulation methodology is based on the approximation of physical phenomena which are taking place in real SEM image formation. This approximation allows achieving better speed performance compared to a fully physical model.

  18. CYP2D6 Is Inducible by Endogenous and Exogenous Corticosteroids.

    PubMed

    Farooq, Muhammad; Kelly, Edward J; Unadkat, Jashvant D

    2016-05-01

    Although cytochrome P450 (CYP) 2D6 has been widely considered to be noninducible on the basis of human hepatocyte studies, in vivo data suggests that it is inducible by endo- and xenobiotics. Therefore, we investigated if the experimental conditions routinely used in human hepatocyte studies may be a confounding factor in the lack of in vitro induction of CYP2D6. Sandwich cultured human hepatocytes (SCHH) were preincubated with or without dexamethasone (100 nM) for 72 hours before incubation with 1μM endogenous (cortisol or corticosterone) or exogenous (dexamethasone or prednisolone) corticosteroids. At 72 hours, CYP2D6 mRNA, protein, and activity were quantified by real-time quantitative polymerase chain reaction, quantitative proteomics, and formation of dextrorphan from dextromethorphan, respectively. In the absence of supplemental dexamethasone, CYP2D6 activity, mRNA, and protein were significantly and robustly (>10-fold) induced by all four corticosteroids. However, this CYP2D6 induction was abolished in cells preincubated with supplemental dexamethasone. These data show, for the first time, that CYP2D6 is inducible in vitro but the routine presence of 100 nM dexamethasone in the culture medium masks this induction. Our cortisol data are in agreement with the clinical observation that CYP2D6 is inducible during the third trimester of pregnancy when the plasma concentrations of cortisol increase to ∼1μM. These findings, if confirmed in vivo, have implications for predicting CYP2D6-mediated drug-drug interactions and call for re-evaluation of regulatory guidelines on screening for CYP2D6 induction by xenobiotics. Our findings also suggest that cortisol may be a causative factor in the in vivo induction of CYP2D6 during pregnancy.

  19. Comparison of 2D and 3D Displays and Sensor Fusion for Threat Detection, Surveillance, and Telepresence

    DTIC Science & Technology

    2003-05-19

    Comparison of 2D and 3D displays and sensor fusion for threat detection, surveillance, and telepresence T. Meitzler, Ph. D.a, D. Bednarz, Ph.D.a, K...camouflaged threats are compared on a two dimensional (2D) display and a three dimensional ( 3D ) display. A 3D display is compared alongside a 2D...technologies that take advantage of 3D and sensor fusion will be discussed. 1. INTRODUCTION Computer driven interactive 3D imaging has made

  20. The seismic analyzer: interpreting and illustrating 2D seismic data.

    PubMed

    Patel, Daniel; Giertsen, Christopher; Thurmond, John; Gjelberg, John; Gröller, M Eduard

    2008-01-01

    We present a toolbox for quickly interpreting and illustrating 2D slices of seismic volumetric reflection data. Searching for oil and gas involves creating a structural overview of seismic reflection data to identify hydrocarbon reservoirs. We improve the search of seismic structures by precalculating the horizon structures of the seismic data prior to interpretation. We improve the annotation of seismic structures by applying novel illustrative rendering algorithms tailored to seismic data, such as deformed texturing and line and texture transfer functions. The illustrative rendering results in multi-attribute and scale invariant visualizations where features are represented clearly in both highly zoomed in and zoomed out views. Thumbnail views in combination with interactive appearance control allows for a quick overview of the data before detailed interpretation takes place. These techniques help reduce the work of seismic illustrators and interpreters.

  1. Brillouin light scattering studies of 2D magnonic crystals.

    PubMed

    Tacchi, S; Gubbiotti, G; Madami, M; Carlotti, G

    2017-02-22

    Magnonic crystals, materials with periodic modulation of their magnetic properties, represent the magnetic counterpart of photonic, phononic and plasmonic crystals, and have been largely investigated in recent years because of the possibility of using spin waves as a new means for carrying and processing information over a very large frequency bandwidth. Here, we review recent Brillouin light scattering studies of 2D magnonic crystals consisting of single- and bi-component arrays of interacting magnetic dots or antidot lattices. In particular, we discuss the principal properties of the magnonic band diagram of such systems, with emphasis given to its dependence on both magnetic and the geometrical parameters. Thanks to the possibility of tailoring their band structure by means of several degrees of freedom, planar magnonic crystals offer a good opportunity to design an innovative class of nanoscale microwave devices.

  2. Brillouin light scattering studies of 2D magnonic crystals

    NASA Astrophysics Data System (ADS)

    Tacchi, S.; Gubbiotti, G.; Madami, M.; Carlotti, G.

    2017-02-01

    Magnonic crystals, materials with periodic modulation of their magnetic properties, represent the magnetic counterpart of photonic, phononic and plasmonic crystals, and have been largely investigated in recent years because of the possibility of using spin waves as a new means for carrying and processing information over a very large frequency bandwidth. Here, we review recent Brillouin light scattering studies of 2D magnonic crystals consisting of single- and bi-component arrays of interacting magnetic dots or antidot lattices. In particular, we discuss the principal properties of the magnonic band diagram of such systems, with emphasis given to its dependence on both magnetic and the geometrical parameters. Thanks to the possibility of tailoring their band structure by means of several degrees of freedom, planar magnonic crystals offer a good opportunity to design an innovative class of nanoscale microwave devices.

  3. Grid generation for general 2-D regions using hyperbolic equations

    NASA Technical Reports Server (NTRS)

    Cordova, Jeffrey Q.; Barth, Timothy J.

    1988-01-01

    A method for applying a hyperbolic grid generation scheme to the construction of meshes in general 2-D regions has been developed. This approach, which follows the theory developed by Steger and Chaussee (1980) and the algorithm outlined by Kinsey and Barth (1984), is based on improving local grid control. This is accomplished by adding an angle control source term to the equations and using a new algorithm for computing the volume source term. These modifications lead to superior methods for fixing the 'local' problems of hyperbolic grid generation, namely, propagation of initial discontinuities and formation of grid shocks (crossing grid lines). More importantly, a method for solving the global problem of constraining the grid with more than one boundary (internal grid generation) has been developed. These algorithms have been implemented in an interactive grid generation program and the results for several geometries are presented and discussed.

  4. 2D discrete Fourier transform on sliding windows.

    PubMed

    Park, Chun-Su

    2015-03-01

    Discrete Fourier transform (DFT) is the most widely used method for determining the frequency spectra of digital signals. In this paper, a 2D sliding DFT (2D SDFT) algorithm is proposed for fast implementation of the DFT on 2D sliding windows. The proposed 2D SDFT algorithm directly computes the DFT bins of the current window using the precalculated bins of the previous window. Since the proposed algorithm is designed to accelerate the sliding transform process of a 2D input signal, it can be directly applied to computer vision and image processing applications. The theoretical analysis shows that the computational requirement of the proposed 2D SDFT algorithm is the lowest among existing 2D DFT algorithms. Moreover, the output of the 2D SDFT is mathematically equivalent to that of the traditional DFT at all pixel positions.

  5. MAGNUM2D. Radionuclide Transport Porous Media

    SciTech Connect

    Langford, D.W.; Baca, R.G.

    1989-03-01

    MAGNUM2D was developed to analyze thermally driven fluid motion in the deep basalts below the Paco Basin at the Westinghouse Hanford Site. Has been used in the Basalt Waste Isolation Project to simulate nonisothermal groundwater flow in a heterogeneous anisotropic medium and heat transport in a water/rock system near a high level nuclear waste repository. Allows three representations of the hydrogeologic system: an equivalent porous continuum, a system of discrete, unfilled, and interconnecting fractures separated by impervious rock mass, and a low permeability porous continuum with several discrete, unfilled fractures traversing the medium. The calculations assume local thermodynamic equilibrium between the rock and groundwater, nonisothermal Darcian flow in the continuum portions of the rock, and nonisothermal Poiseuille flow in discrete unfilled fractures. In addition, the code accounts for thermal loading within the elements, zero normal gradient and fixed boundary conditions for both temperature and hydraulic head, and simulation of the temperature and flow independently. The Q2DGEOM preprocessor was developed to generate, modify, plot and verify quadratic two dimensional finite element geometries. The BCGEN preprocessor generates the boundary conditions for head and temperature and ICGEN generates the initial conditions. The GRIDDER postprocessor interpolates nonregularly spaced nodal flow and temperature data onto a regular rectangular grid. CONTOUR plots and labels contour lines for a function of two variables and PARAM plots cross sections and time histories for a function of time and one or two spatial variables. NPRINT generates data tables that display the data along horizontal or vertical cross sections. VELPLT differentiates the hydraulic head and buoyancy data and plots the velocity vectors. The PATH postprocessor plots flow paths and computes the corresponding travel times.

  6. MAGNUM2D. Radionuclide Transport Porous Media

    SciTech Connect

    Langford, D.W.; Baca, R.G.

    1988-08-01

    MAGNUM2D was developed to analyze thermally driven fluid motion in the deep basalts below the Paco Basin at the Westinghouse Hanford Site. Has been used in the Basalt Waste Isolation Project to simulate nonisothermal groundwater flow in a heterogeneous anisotropic medium and heat transport in a water/rock system near a high level nuclear waste repository. Allows three representations of the hydrogeologic system: an equivalent porous continuum, a system of discrete, unfilled, and interconnecting fractures separated by impervious rock mass, and a low permeability porous continuum with several discrete, unfilled fractures traversing the medium. The calculation assumes local thermodynamic equilibrium between the rock and groundwater, nonisothermal Darcian flow in the continuum portions of the rock, and nonisothermal Poiseuille flow in discrete unfilled fractures. In addition, the code accounts for thermal loading within the elements, zero normal gradient and fixed boundary conditions for both temperature and hydraulic head, and simulation of the temperature and flow independently. The Q2DGEOM preprocessor was developed to generate, modify, plot and verify quadratic two dimensional finite element geometries. The BCGEN preprocessor generates the boundary conditions for head and temperature and ICGEN generates the initial conditions. The GRIDDER postprocessor interpolates nonregularly spaced nodal flow and temperature data onto a regular rectangular grid. CONTOUR plots and labels contour lines for a function of two variables and PARAM plots cross sections and time histories for a function of time and one or two spatial variables. NPRINT generates data tables that display the data along horizontal or vertical cross sections. VELPLT differentiates the hydraulic head and buoyancy data and plots the velocity vectors. The PATH postprocessor plots flow paths and computes the corresponding travel times.

  7. Device and methods for "gold standard" registration of clinical 3D and 2D cerebral angiograms

    NASA Astrophysics Data System (ADS)

    Madan, Hennadii; Likar, Boštjan; Pernuš, Franjo; Å piclin, Žiga

    2015-03-01

    Translation of any novel and existing 3D-2D image registration methods into clinical image-guidance systems is limited due to lack of their objective validation on clinical image datasets. The main reason is that, besides the calibration of the 2D imaging system, a reference or "gold standard" registration is very difficult to obtain on clinical image datasets. In the context of cerebral endovascular image-guided interventions (EIGIs), we present a calibration device in the form of a headband with integrated fiducial markers and, secondly, propose an automated pipeline comprising 3D and 2D image processing, analysis and annotation steps, the result of which is a retrospective calibration of the 2D imaging system and an optimal, i.e., "gold standard" registration of 3D and 2D images. The device and methods were used to create the "gold standard" on 15 datasets of 3D and 2D cerebral angiograms, whereas each dataset was acquired on a patient undergoing EIGI for either aneurysm coiling or embolization of arteriovenous malformation. The use of the device integrated seamlessly in the clinical workflow of EIGI. While the automated pipeline eliminated all manual input or interactive image processing, analysis or annotation. In this way, the time to obtain the "gold standard" was reduced from 30 to less than one minute and the "gold standard" of 3D-2D registration on all 15 datasets of cerebral angiograms was obtained with a sub-0.1 mm accuracy.

  8. MDMA, methamphetamine, and CYP2D6 pharmacogenetics: what is clinically relevant?

    PubMed Central

    de la Torre, Rafael; Yubero-Lahoz, Samanta; Pardo-Lozano, Ricardo; Farré, Magí

    2012-01-01

    In vitro human studies show that the metabolism of most amphetamine-like psychostimulants is regulated by the polymorphic cytochrome P450 isozyme CYP2D6. Two compounds, methamphetamine and 3,4-methylenedioxymethamphetamine (MDMA), were selected as archetypes to discuss the translation and clinical significance of in vitro to in vivo findings. Both compounds were chosen based on their differential interaction with CYP2D6 and their high abuse prevalence in society. Methamphetamine behaves as both a weak substrate and competitive inhibitor of CYP2D6, while MDMA acts as a high affinity substrate and potent mechanism-based inhibitor (MBI) of the enzyme. The MBI behavior of MDMA on CYP2D6 implies that subjects, irrespective of their genotype/phenotype, are phenocopied to the poor metabolizer (PM) phenotype. The fraction of metabolic clearance regulated by CYP2D6 for both drugs is substantially lower than expected from in vitro studies. Other isoenzymes of cytochrome P450 and a relevant contribution of renal excretion play a part in their clearance. These facts tune down the potential contribution of CYP2D6 polymorphism in the clinical outcomes of both substances. Globally, the clinical relevance of CYP2D6 polymorphism is lower than that predicted by in vitro studies. PMID:23162568

  9. Efficient screening of 2D molecular polymorphs at the solution-solid interface

    NASA Astrophysics Data System (ADS)

    Lee, Shern-Long; Adisoejoso, Jinne; Fang, Yuan; Tahara, Kazukuni; Tobe, Yoshito; Mali, Kunal S.; de Feyter, Steven

    2015-03-01

    Formation of multiple polymorphs during two-dimensional (2D) crystallization of organic molecules is more of a routine occurrence than rarity. Although such diverse crystalline structures provide exciting possibilities for studying crystal engineering in 2D, predicting the occurrence of polymorphs for a given building block is often non-trivial. Moreover, there is scarcity of methods that can experimentally verify the presence of such crystalline polymorphs in a straightforward fashion. Here we demonstrate a relatively simple experimental approach for screening of 2D polymorphs formed at the solution-solid interface. The strategy involves use of solution flow produced by contacting a piece of tissue paper to the sample to generate a lateral density gradient along the substrate surface. In situ generation of such gradient allows rapid discovery and nanoscale separation of multiple 2D polymorphs in a single experiment. The concept is demonstrated using three structurally different building blocks that differ in terms of intermolecular interactions responsible for 2D crystal formation. The method described here represents a powerful tool for efficient screening of 2D polymorphs formed at the solution-solid interface.Formation of multiple polymorphs during two-dimensional (2D) crystallization of organic molecules is more of a routine occurrence than rarity. Although such diverse crystalline structures provide exciting possibilities for studying crystal engineering in 2D, predicting the occurrence of polymorphs for a given building block is often non-trivial. Moreover, there is scarcity of methods that can experimentally verify the presence of such crystalline polymorphs in a straightforward fashion. Here we demonstrate a relatively simple experimental approach for screening of 2D polymorphs formed at the solution-solid interface. The strategy involves use of solution flow produced by contacting a piece of tissue paper to the sample to generate a lateral density

  10. Methods for 2-D and 3-D Endobronchial Ultrasound Image Segmentation.

    PubMed

    Zang, Xiaonan; Bascom, Rebecca; Gilbert, Christopher; Toth, Jennifer; Higgins, William

    2016-07-01

    Endobronchial ultrasound (EBUS) is now commonly used for cancer-staging bronchoscopy. Unfortunately, EBUS is challenging to use and interpreting EBUS video sequences is difficult. Other ultrasound imaging domains, hampered by related difficulties, have benefited from computer-based image-segmentation methods. Yet, so far, no such methods have been proposed for EBUS. We propose image-segmentation methods for 2-D EBUS frames and 3-D EBUS sequences. Our 2-D method adapts the fast-marching level-set process, anisotropic diffusion, and region growing to the problem of segmenting 2-D EBUS frames. Our 3-D method builds upon the 2-D method while also incorporating the geodesic level-set process for segmenting EBUS sequences. Tests with lung-cancer patient data showed that the methods ran fully automatically for nearly 80% of test cases. For the remaining cases, the only user-interaction required was the selection of a seed point. When compared to ground-truth segmentations, the 2-D method achieved an overall Dice index = 90.0% ±4.9%, while the 3-D method achieved an overall Dice index = 83.9 ± 6.0%. In addition, the computation time (2-D, 0.070 s/frame; 3-D, 0.088 s/frame) was two orders of magnitude faster than interactive contour definition. Finally, we demonstrate the potential of the methods for EBUS localization in a multimodal image-guided bronchoscopy system.

  11. A 2D spring model for the simulation of ultrasonic wave propagation in nonlinear hysteretic media.

    PubMed

    Delsanto, P P; Gliozzi, A S; Hirsekorn, M; Nobili, M

    2006-07-01

    A two-dimensional (2D) approach to the simulation of ultrasonic wave propagation in nonclassical nonlinear (NCNL) media is presented. The approach represents the extension to 2D of a previously proposed one dimensional (1D) Spring Model, with the inclusion of a PM space treatment of the intersticial regions between grains. The extension to 2D is of great practical relevance for its potential applications in the field of quantitative nondestructive evaluation and material characterization, but it is also useful, from a theoretical point of view, to gain a better insight of the interaction mechanisms involved. The model is tested by means of virtual 2D experiments. The expected NCNL behaviors are qualitatively well reproduced.

  12. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6*15 and *35 Genotyping

    PubMed Central

    Riffel, Amanda K.; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C.; Leeder, J. Steven; Rosenblatt, Kevin P.; Gaedigk, Andrea

    2016-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6*15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6*15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6*35) which is also located in exon 1. Although alternative CYP2D6*15 and *35 assays resolved the issue, we discovered a novel CYP2D6*15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6*15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6*43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer and/or probe regions can impact

  13. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6 (*) 15 and (*) 35 Genotyping.

    PubMed

    Riffel, Amanda K; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C; Leeder, J Steven; Rosenblatt, Kevin P; Gaedigk, Andrea

    2015-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6 (*) 15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6 (*) 15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6 (*) 35) which is also located in exon 1. Although alternative CYP2D6 (*) 15 and (*) 35 assays resolved the issue, we discovered a novel CYP2D6 (*) 15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6 (*) 15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6 (*) 43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer

  14. Pharmacophore, QSAR, and binding mode studies of substrates of human cytochrome P450 2D6 (CYP2D6) using molecular docking and virtual mutations and an application to chinese herbal medicine screening.

    PubMed

    Mo, Sui-Lin; Liu, Wei-Feng; Li, Chun-Guang; Zhou, Zhi-Wei; Luo, Hai-Bin; Chew, Helen; Liang, Jun; Zhou, Shu-Feng

    2012-07-01

    The highly polymorphic human cytochrome P450 2D6 (CYP2D6) metabolizes about 25% of currently used drugs. In this study, we have explored the interaction of a large number of substrates (n = 120) with wild-type and mutated CYP2D6 by molecular docking using the CDOCKER module. Before we conducted the molecular docking and virtual mutations, the pharmacophore and QSAR models of CYP2D6 substrates were developed and validated. Finally, we explored the interaction of a traditional Chinese herbal formula, Fangjifuling decoction, with CYP2D6 by virtual screening. The optimized pharmacophore model derived from 20 substrates of CYP2D6 contained two hydrophobic features and one hydrogen bond acceptor feature, giving a relevance ratio of 76% when a validation set of substrates were tested. However, our QSAR models gave poor prediction of the binding affinity of substrates. Our docking study demonstrated that 117 out of 120 substrates could be docked into the active site of CYP2D6. Forty one out of 117 substrates (35.04%) formed hydrogen bonds with various active site residues of CYP2D6 and 53 (45.30%) substrates formed a strong π-π interaction with Phe120 (53/54), with only carvedilol showing π-π interaction with Phe483. The active site residues involving hydrogen bond formation with substrates included Leu213, Lys214, Glu216, Ser217, Gln244, Asp301, Ser304, Ala305, Phe483, and Phe484. Furthermore, the CDOCKER algorithm was further applied to study the impact of mutations of 28 active site residues (mostly non-conserved) of CYP2D6 on substrate binding modes using five probe substrates including bufuralol, debrisoquine, dextromethorphan, sparteine, and tramadol. All mutations of the residues examined altered the hydrogen bond formation and/or aromatic interactions, depending on the probe used in molecular docking. Apparent changes of the binding modes have been observed with the Glu216Asp and Asp301Glu mutants. Overall, 60 compounds out of 130 from Fangjifuling decoction

  15. ''Super 2D,'' Innovative seismic reprocessing: A case history

    SciTech Connect

    Conne, D.K.M.; Bolander, A.G.; MacDonald, R.J.; Strelioff, D.M.

    1988-01-01

    The ''Super 2D'' processing sequence involves taking a randomly oriented grid of multivintage two-dimensional seismic data and reprocessing to tie the data where required, then interpolating the data set to a regular grid suitable for three-dimensional processing and interpretation. A data set from Alberta, provided by a Canadian oil company, comprises 15 two-dimensional seismic lines collected and processed over a period of 6 years by various contractors. Field conditions, advances in technology, and changing objectives combined to result in a data set that densely sampled a small area, but did not tie in well enough to be interpreted as a whole. The data mistied in time, phase, and frequency, as well as having a problem with multiples in the zone of interest that had been partly attenuated in varying degrees. Therefore, the first objective of reprocessing was to resolve these problems. The authors' current land data processing sequence, which includes frequency balancing followed by source wavelet designature, F/K multiple attenuation, trim statics, and F-X filtering, as well as close attention to statics and velocity control, resolved all the mistie issues and produced a standardized data volume. This data volume was now suitable for the second stage of this sequence (i.e., interpolating to a regular grid and subsequent three-dimensional processing). The volume was three-dimensionally migrated (finite difference), filtered, and scaled. The full range of three-dimensional display and interpretational options, including loading on an interactive system, are now possible. This, along with standardizing the data set and improving the spatial location of events via three-dimensional migration are the key results of the ''Super 2D'' sequence.

  16. Thermocapillary bubble dynamics in a 2D axis swirl domain

    NASA Astrophysics Data System (ADS)

    Alhendal, Yousuf; Turan, Ali

    2014-09-01

    The lack of significant buoyancy effects in zero-gravity conditions poses an issue with fluid transfer in a stagnant liquid. In this paper, bubble movement in a stagnant liquid is analysed and presented numerically using a computational fluid dynamics approach. The governing continuum and conservation equations for two-phase flow are solved using the commercial software package Ansys-Fluent v.13. The volume of fluid method is used to track the liquid/gas interface in 2D and 3D domains, which has been found to be a valuable tool for studying the phenomenon of gas-liquid interaction, and the validation results are in reasonable agreement with earlier experimental observations. The flow is driven via Marangoni influence induced by the temperature difference, which in turn drives the bubble from the cold to the hot region. The results indicate that the inherent velocity of bubbles decreases with an increase in Marangoni number; this is in agreement with the results of previous experiments conducted in Kang et al. (Microgravity Sci Technol 20:67-71, 2008). Some three-dimensional simulations will also be performed to compare and examine the results with two-dimensional simulations. The thermocapillary bubble flow in a 2D swirl axisymmetry driven by the rotation of the walls was also carried out for different angular velocities in zero gravity. The bubble migration speed was found to decrease with increasing angular velocity. This occurrence is due to an increase in the pressure gradient between the cylinder's outer wall and the axis of rotation, which forces the lowest pressure region to shift from the sides of the bubble to the axis of rotation. A deformation of the bubble and the formation of the two vortices inside the bubble are also observed. These new and original findings aim to help support research into space applications.

  17. Thermocapillary bubble dynamics in a 2D axis swirl domain

    NASA Astrophysics Data System (ADS)

    Alhendal, Yousuf; Turan, Ali

    2015-04-01

    The lack of significant buoyancy effects in zero-gravity conditions poses an issue with fluid transfer in a stagnant liquid. In this paper, bubble movement in a stagnant liquid is analysed and presented numerically using a computational fluid dynamics approach. The governing continuum and conservation equations for two-phase flow are solved using the commercial software package Ansys-Fluent v.13. The volume of fluid method is used to track the liquid/gas interface in 2D and 3D domains, which has been found to be a valuable tool for studying the phenomenon of gas-liquid interaction, and the validation results are in reasonable agreement with earlier experimental observations. The flow is driven via Marangoni influence induced by the temperature difference, which in turn drives the bubble from the cold to the hot region. The results indicate that the inherent velocity of bubbles decreases with an increase in Marangoni number; this is in agreement with the results of previous experiments conducted in Kang et al. (Microgravity Sci Technol 20:67-71, 2008). Some three-dimensional simulations will also be performed to compare and examine the results with two-dimensional simulations. The thermocapillary bubble flow in a 2D swirl axisymmetry driven by the rotation of the walls was also carried out for different angular velocities in zero gravity. The bubble migration speed was found to decrease with increasing angular velocity. This occurrence is due to an increase in the pressure gradient between the cylinder's outer wall and the axis of rotation, which forces the lowest pressure region to shift from the sides of the bubble to the axis of rotation. A deformation of the bubble and the formation of the two vortices inside the bubble are also observed. These new and original findings aim to help support research into space applications.

  18. Mechanical loading and the synthesis of 1,25(OH)2D in primary human osteoblasts.

    PubMed

    van der Meijden, K; Bakker, A D; van Essen, H W; Heijboer, A C; Schulten, E A J M; Lips, P; Bravenboer, N

    2016-02-01

    local vitamin D metabolism in primary human osteoblasts. Our results suggest that 1,25(OH)2D3 and mechanical loading, both stimuli of the differentiation of osteoblasts, interact at the cellular level.

  19. Phase diagram of split 2D dipolar spin ice

    NASA Astrophysics Data System (ADS)

    Roscilde, Tommaso; Henry, Louis-Paul

    2013-03-01

    Long-ranged dipolar interactions, which are very natural in artificial square-lattice spin ice, can mask some of the most relevant aspects of spin-ice physics, as they remove the extensive degeneracy of the ground state manifold to give a unique ground state, and they bind monopole pairs into localized spin flips. Following an earlier idea of G. Möller and R. Moessner [Phys. Rev. Lett. 96, 237202 (2006)] we investigate how adding a third direction to square ice allows to recover fundamental traits of spin-ice physics even in the presence of dipolar interactions. Using Monte Carlo simulations based on a generalized loop algorithm, we explore the phase diagram of square dipolar spin ice in which horizontal and vertical dipoles are spatially separated in a third direction (split 2D spin ice). As a function of the splitting we recover a two-fold degenerate staggered state for coplanar dipoles, and a four-fold degenerate ``Manhattan'' state for strongly split dipoles, separated by a first order transition. The competition between the two states at intermediate splitting leads to a strong suppression of the ordering transition temperatures, and makes space for the observation of a hallmark of spin-ice physics in the paramagnetic phase: pinch points in the static structure factor.

  20. Numerical simulation of rock cutting using 2D AUTODYN

    NASA Astrophysics Data System (ADS)

    Woldemichael, D. E.; Rani, A. M. Abdul; Lemma, T. A.; Altaf, K.

    2015-12-01

    In a drilling process for oil and gas exploration, understanding of the interaction between the cutting tool and the rock is important for optimization of the drilling process using polycrystalline diamond compact (PDC) cutters. In this study the finite element method in ANSYS AUTODYN-2D is used to simulate the dynamics of cutter rock interaction, rock failure, and fragmentation. A two-dimensional single PDC cutter and rock model were used to simulate the orthogonal cutting process and to investigate the effect of different parameters such as depth of cut, and back rake angle on two types of rocks (sandstone and limestone). In the simulation, the cutting tool was dragged against stationary rock at predetermined linear velocity and the depth of cut (1,2, and 3 mm) and the back rake angles(-10°, 0°, and +10°) were varied. The simulation result shows that the +10° back rake angle results in higher rate of penetration (ROP). Increasing depth of cut leads to higher ROP at the cost of higher cutting force.

  1. Residual lens effects in 2D mode of auto-stereoscopic lenticular-based switchable 2D/3D displays

    NASA Astrophysics Data System (ADS)

    Sluijter, M.; IJzerman, W. L.; de Boer, D. K. G.; de Zwart, S. T.

    2006-04-01

    We discuss residual lens effects in multi-view switchable auto-stereoscopic lenticular-based 2D/3D displays. With the introduction of a switchable lenticular, it is possible to switch between a 2D mode and a 3D mode. The 2D mode displays conventional content, whereas the 3D mode provides the sensation of depth to the viewer. The uniformity of a display in the 2D mode is quantified by the quality parameter modulation depth. In order to reduce the modulation depth in the 2D mode, birefringent lens plates are investigated analytically and numerically, by ray tracing. We can conclude that the modulation depth in the 2D mode can be substantially decreased by using birefringent lens plates with a perfect index match between lens material and lens plate. Birefringent lens plates do not disturb the 3D performance of a switchable 2D/3D display.

  2. Differential CYP 2D6 metabolism alters primaquine pharmacokinetics.

    PubMed

    Potter, Brittney M J; Xie, Lisa H; Vuong, Chau; Zhang, Jing; Zhang, Ping; Duan, Dehui; Luong, Thu-Lan T; Bandara Herath, H M T; Dhammika Nanayakkara, N P; Tekwani, Babu L; Walker, Larry A; Nolan, Christina K; Sciotti, Richard J; Zottig, Victor E; Smith, Philip L; Paris, Robert M; Read, Lisa T; Li, Qigui; Pybus, Brandon S; Sousa, Jason C; Reichard, Gregory A; Marcsisin, Sean R

    2015-04-01

    Primaquine (PQ) metabolism by the cytochrome P450 (CYP) 2D family of enzymes is required for antimalarial activity in both humans (2D6) and mice (2D). Human CYP 2D6 is highly polymorphic, and decreased CYP 2D6 enzyme activity has been linked to decreased PQ antimalarial activity. Despite the importance of CYP 2D metabolism in PQ efficacy, the exact role that these enzymes play in PQ metabolism and pharmacokinetics has not been extensively studied in vivo. In this study, a series of PQ pharmacokinetic experiments were conducted in mice with differential CYP 2D metabolism characteristics, including wild-type (WT), CYP 2D knockout (KO), and humanized CYP 2D6 (KO/knock-in [KO/KI]) mice. Plasma and liver pharmacokinetic profiles from a single PQ dose (20 mg/kg of body weight) differed significantly among the strains for PQ and carboxy-PQ. Additionally, due to the suspected role of phenolic metabolites in PQ efficacy, these were probed using reference standards. Levels of phenolic metabolites were highest in mice capable of metabolizing CYP 2D6 substrates (WT and KO/KI 2D6 mice). PQ phenolic metabolites were present in different quantities in the two strains, illustrating species-specific differences in PQ metabolism between the human and mouse enzymes. Taking the data together, this report furthers understanding of PQ pharmacokinetics in the context of differential CYP 2D metabolism and has important implications for PQ administration in humans with different levels of CYP 2D6 enzyme activity.

  3. Mechanical characterization of 2D, 2D stitched, and 3D braided/RTM materials

    NASA Technical Reports Server (NTRS)

    Deaton, Jerry W.; Kullerd, Susan M.; Portanova, Marc A.

    1993-01-01

    Braided composite materials have potential for application in aircraft structures. Fuselage frames, floor beams, wing spars, and stiffeners are examples where braided composites could find application if cost effective processing and damage tolerance requirements are met. Another important consideration for braided composites relates to their mechanical properties and how they compare to the properties of composites produced by other textile composite processes being proposed for these applications. Unfortunately, mechanical property data for braided composites do not appear extensively in the literature. Data are presented in this paper on the mechanical characterization of 2D triaxial braid, 2D triaxial braid plus stitching, and 3D (through-the-thickness) braid composite materials. The braided preforms all had the same graphite tow size and the same nominal braid architectures, (+/- 30 deg/0 deg), and were resin transfer molded (RTM) using the same mold for each of two different resin systems. Static data are presented for notched and unnotched tension, notched and unnotched compression, and compression after impact strengths at room temperature. In addition, some static results, after environmental conditioning, are included. Baseline tension and compression fatigue results are also presented, but only for the 3D braided composite material with one of the resin systems.

  4. Summary of MELCOR 1.8.2 calculations for three LOCA sequences (AG, S2D, and S3D) at the Surry Plant

    SciTech Connect

    Kmetyk, L.; Smith, L.

    1994-03-01

    Activities involving regulatory implementation of updated source term information were pursued. These activities include the identification of the source term, the identification of the chemical form of iodine in the source term, and the timing of the source term`s entrance into containment. These activities are intended to support a more realistic source term for licensing nuclear power plants than the current TID-14844 source term and current licensing assumptions. MELCOR calculations were performed to support the technical basis for the updated source term. This report presents the results from three MELCOR calculations of nuclear power plant accident sequences and presents comparisons with Source Term code Package (STCP) calculations for the same sequences. The three low-pressure sequences were analyzed to identify the materials which enter containment (source terms) and are available for release to the environment, and to obtain timing of sequence events. The source terms include fission products and other materials such as those generated by core-concrete interactions. All three calculations, for both MELCOR and STCP, analyzed the Surry plant, a pressurized water reactor (PWR) with a subatmospheric containment design.

  5. Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound*

    PubMed Central

    Wang, An; Savas, Uzen; Hsu, Mei-Hui; Stout, C. David; Johnson, Eric F.

    2012-01-01

    Human cytochrome P450 2D6 contributes to the metabolism of >15% of drugs used in clinical practice. This study determined the structure of P450 2D6 complexed with a substrate and potent inhibitor, prinomastat, to 2.85 Å resolution by x-ray crystallography. Prinomastat binding is well defined by electron density maps with its pyridyl nitrogen bound to the heme iron. The structure of ligand-bound P450 2D6 differs significantly from the ligand-free structure reported for the P450 2D6 Met-374 variant (Protein Data Bank code 2F9Q). Superposition of the structures reveals significant differences for β sheet 1, helices A, F, F′, G″, G, and H as well as the helix B-C loop. The structure of the ligand complex exhibits a closed active site cavity that conforms closely to the shape of prinomastat. The closure of the open cavity seen for the 2F9Q structure reflects a change in the direction and pitch of helix F and introduction of a turn at Gly-218, which is followed by a well defined helix F′ that was not observed in the 2F9Q structure. These differences reflect considerable structural flexibility that is likely to contribute to the catalytic versatility of P450 2D6, and this new structure provides an alternative model for in silico studies of substrate interactions with P450 2D6. PMID:22308038

  6. T Cells Infiltrating Diseased Liver Express Ligands for the NKG2D Stress Surveillance System

    PubMed Central

    Huang, Wei-Chen; Easom, Nicholas J.; Tang, Xin-Zi; Gill, Upkar S.; Singh, Harsimran; Robertson, Francis; Chang, Chiwen; Trowsdale, John; Davidson, Brian R.; Rosenberg, William M.; Fusai, Giuseppe; Toubert, Antoine; Kennedy, Patrick T.; Peppa, Dimitra

    2017-01-01

    NK cells, which are highly enriched in the liver, are potent regulators of antiviral T cells and immunopathology in persistent viral infection. We investigated the role of the NKG2D axis in T cell/NK cell interactions in hepatitis B. Activated and hepatitis B virus (HBV)–specific T cells, particularly the CD4 fraction, expressed NKG2D ligands (NKG2DL), which were not found on T cells from healthy controls (p < 0.001). NKG2DL-expressing T cells were strikingly enriched within HBV-infected livers compared with the periphery or to healthy livers (p < 0.001). NKG2D+NK cells were also increased and preferentially activated in the HBV-infected liver (p < 0.001), in direct proportion to the percentage of MICA/B-expressing CD4 T cells colocated within freshly isolated liver tissue (p < 0.001). This suggests that NKG2DL induced on T cells within a diseased organ can calibrate NKG2D-dependent activation of local NK cells; furthermore, NKG2D blockade could rescue HBV-specific and MICA/B-expressing T cells from HBV-infected livers. To our knowledge, this is the first ex vivo demonstration that non-virally infected human T cells can express NKG2DL, with implications for stress surveillance by the large number of NKG2D-expressing NK cells sequestered in the liver. PMID:28031333

  7. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    NASA Astrophysics Data System (ADS)

    He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo

    2013-02-01

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]rad H2O (1), [M(norfH)(bpdc)]rad H2O (M=Cd (2) and Mn (3)), [Mn2(cfH)(odpa)(H2O)3]rad 0.5H2O (4), [Co2(norfH)(bpta)(μ2-H2O)(H2O)2]rad H2O (5) and [Co3(saraH)2(Hbpta)2(H2O)4]rad 9H2O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4'-biphenyldicarboxylate, odpa=4,4'-oxydiphthalate, bpta=3,3',4,4'-biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {M(COO)}nn+ chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed.

  8. Nano-scale electronic and optoelectronic devices based on 2D crystals

    NASA Astrophysics Data System (ADS)

    Zhu, Wenjuan

    In the last few years, the research community has been rapidly growing interests in two-dimensional (2D) crystals and their applications. The properties of these 2D crystals are diverse -- ranging from semi-metal such as graphene, semiconductors such as MoS2, to insulator such as boron nitride. These 2D crystals have many unique properties as compared to their bulk counterparts due to their reduced dimensionality and symmetry. A key difference is the band structures, which lead to distinct electronic and photonic properties. The 2D nature of the material also plays an important role in defining their exceptional properties of mechanical strength, surface sensitivity, thermal conductivity, tunable band-gap and their interaction with light. These unique properties of 2D crystals open up a broad territory of applications in computing, communication, energy, and medicine. In this talk, I will present our work on understanding the electrical properties of graphene and MoS2, in particular current transport and band-gap engineering in graphene, interface between gate dielectrics and graphene, and gap states in MoS2. I will also present our work on the nano-scale electronic devices (RF and logic devices) and photonic devices (plasmonic devices and photo-detectors) based on these 2D crystals.

  9. Computational Screening of 2D Materials for Photocatalysis.

    PubMed

    Singh, Arunima K; Mathew, Kiran; Zhuang, Houlong L; Hennig, Richard G

    2015-03-19

    Two-dimensional (2D) materials exhibit a range of extraordinary electronic, optical, and mechanical properties different from their bulk counterparts with potential applications for 2D materials emerging in energy storage and conversion technologies. In this Perspective, we summarize the recent developments in the field of solar water splitting using 2D materials and review a computational screening approach to rapidly and efficiently discover more 2D materials that possess properties suitable for solar water splitting. Computational tools based on density-functional theory can predict the intrinsic properties of potential photocatalyst such as their electronic properties, optical absorbance, and solubility in aqueous solutions. Computational tools enable the exploration of possible routes to enhance the photocatalytic activity of 2D materials by use of mechanical strain, bias potential, doping, and pH. We discuss future research directions and needed method developments for the computational design and optimization of 2D materials for photocatalysis.

  10. Flow past 2-D Hemispherical Rigid Canopies

    NASA Astrophysics Data System (ADS)

    Carnasciali, Maria-Isabel

    2013-11-01

    The flow past a 2-dimensional rigid hemispherical shape is investigated using PIV. Flow field measurements and images were generated with the use of a Thermoflow® apparatus. Results of this study are compared to prior work (APS DFD 2012 Session E9.00003) which employed CFD to investigate the flow in the near wake of hemispherical parachutes. The various sized gaps/open areas were positioned at distinct locations. The work presented here is part of a larger research project to investigate flow fields in deceleration devices and parachutes. Understanding the pitch-stability of parachutes is essential for accurate design and implementation of these deceleration devices but they present a difficult system to analyze. The flexibility of the parachute fabric results in large variations in the parachute geometry leading to complex fluid-structure interactions. Such flow, combined with flow through gaps and open areas, has been postulated to shed alternating vortices causing pitching/oscillations of the canopy. The results presented provide some insight into which geometric features affect vortex shedding and may enable the redesign of the baseline parachute to minimize instabilities.

  11. Caffeine increases striatal dopamine D2/D3 receptor availability in the human brain

    DOE PAGES

    Volkow, N. D.; Wang, G. -J.; Logan, J.; ...

    2015-04-14

    Caffeine, the most widely consumed psychoactive substance in the world, is used to promote wakefulness and enhance alertness. Like other wake-promoting drugs (stimulants and modafinil), caffeine enhances dopamine (DA) signaling in the brain, which it does predominantly by antagonizing adenosine A2A receptors (A2AR). However, it is unclear if caffeine, at the doses consumed by humans, increases DA release or whether it modulates the functions of postsynaptic DA receptors through its interaction with adenosine receptors, which modulate them. We used positron emission tomography and [11C]raclopride (DA D2/D3 receptor radioligand sensitive to endogenous DA) to assess if caffeine increased DA release inmore » striatum in 20 healthy controls. Caffeine (300mg p.o.) significantly increased the availability of D2/D3 receptors in putamen and ventral striatum, but not in caudate, when compared with placebo. In addition, caffeine-induced increases in D2/D3 receptor availability in the ventral striatum were associated with caffeine-induced increases in alertness. Our findings indicate that in the human brain, caffeine, at doses typically consumed, increases the availability of DA D2/D3 receptors, which indicates that caffeine does not increase DA in the striatum for this would have decreased D2/D3 receptor availability. Instead, we interpret our findings to reflect an increase in D2/D3 receptor levels in striatum with caffeine (or changes in affinity). Furthermore, the association between increases in D2/D3 receptor availability in ventral striatum and alertness suggests that caffeine might enhance arousal, in part, by upregulating D2/D3 receptors.« less

  12. PLAN2D - A PROGRAM FOR ELASTO-PLASTIC ANALYSIS OF PLANAR FRAMES

    NASA Technical Reports Server (NTRS)

    Lawrence, C.

    1994-01-01

    PLAN2D is a FORTRAN computer program for the plastic analysis of planar rigid frame structures. Given a structure and loading pattern as input, PLAN2D calculates the ultimate load that the structure can sustain before collapse. Element moments and plastic hinge rotations are calculated for the ultimate load. The location of hinges required for a collapse mechanism to form are also determined. The program proceeds in an iterative series of linear elastic analyses. After each iteration the resulting elastic moments in each member are compared to the reserve plastic moment capacity of that member. The member or members that have moments closest to their reserve capacity will determine the minimum load factor and the site where the next hinge is to be inserted. Next, hinges are inserted and the structural stiffness matrix is reformulated. This cycle is repeated until the structure becomes unstable. At this point the ultimate collapse load is calculated by accumulating the minimum load factor from each previous iteration and multiplying them by the original input loads. PLAN2D is based on the program STAN, originally written by Dr. E.L. Wilson at U.C. Berkeley. PLAN2D has several limitations: 1) Although PLAN2D will detect unloading of hinges it does not contain the capability to remove hinges; 2) PLAN2D does not allow the user to input different positive and negative moment capacities and 3) PLAN2D does not consider the interaction between axial and plastic moment capacity. Axial yielding and buckling is ignored as is the reduction in moment capacity due to axial load. PLAN2D is written in FORTRAN and is machine independent. It has been tested on an IBM PC and a DEC MicroVAX. The program was developed in 1988.

  13. Caffeine increases striatal dopamine D2/D3 receptor availability in the human brain.

    PubMed

    Volkow, N D; Wang, G-J; Logan, J; Alexoff, D; Fowler, J S; Thanos, P K; Wong, C; Casado, V; Ferre, S; Tomasi, D

    2015-04-14

    Caffeine, the most widely consumed psychoactive substance in the world, is used to promote wakefulness and enhance alertness. Like other wake-promoting drugs (stimulants and modafinil), caffeine enhances dopamine (DA) signaling in the brain, which it does predominantly by antagonizing adenosine A2A receptors (A2AR). However, it is unclear if caffeine, at the doses consumed by humans, increases DA release or whether it modulates the functions of postsynaptic DA receptors through its interaction with adenosine receptors, which modulate them. We used positron emission tomography and [(11)C]raclopride (DA D2/D3 receptor radioligand sensitive to endogenous DA) to assess if caffeine increased DA release in striatum in 20 healthy controls. Caffeine (300 mg p.o.) significantly increased the availability of D2/D3 receptors in putamen and ventral striatum, but not in caudate, when compared with placebo. In addition, caffeine-induced increases in D2/D3 receptor availability in the ventral striatum were associated with caffeine-induced increases in alertness. Our findings indicate that in the human brain, caffeine, at doses typically consumed, increases the availability of DA D2/D3 receptors, which indicates that caffeine does not increase DA in the striatum for this would have decreased D2/D3 receptor availability. Instead, we interpret our findings to reflect an increase in D2/D3 receptor levels in striatum with caffeine (or changes in affinity). The association between increases in D2/D3 receptor availability in ventral striatum and alertness suggests that caffeine might enhance arousal, in part, by upregulating D2/D3 receptors.

  14. Synthetic Covalent and Non-Covalent 2D Materials.

    PubMed

    Boott, Charlotte E; Nazemi, Ali; Manners, Ian

    2015-11-16

    The creation of synthetic 2D materials represents an attractive challenge that is ultimately driven by their prospective uses in, for example, electronics, biomedicine, catalysis, sensing, and as membranes for separation and filtration. This Review illustrates some recent advances in this diverse field with a focus on covalent and non-covalent 2D polymers and frameworks, and self-assembled 2D materials derived from nanoparticles, homopolymers, and block copolymers.

  15. NK cells enhance dendritic cell response against parasite antigens via NKG2D pathway.

    PubMed

    Guan, Hongbing; Moretto, Magali; Bzik, David J; Gigley, Jason; Khan, Imtiaz A

    2007-07-01

    Recent studies have shown that NK-dendritic cell (DC) interaction plays an important role in the induction of immune response against tumors and certain viruses. Although the effect of this interaction is bidirectional, the mechanism or molecules involved in this cross-talk have not been identified. In this study, we report that coculture with NK cells causes several fold increase in IL-12 production by Toxoplasma gondii lysate Ag-pulsed DC. This interaction also leads to stronger priming of Ag-specific CD8+ T cell response by these cells. In vitro blockade of NKG2D, a molecule present on human and murine NK cells, neutralizes the NK cell-induced up-regulation of DC response. Moreover, treatment of infected animals with Ab to NKG2D receptor compromises the development of Ag-specific CD8+ T cell immunity and reduces their ability to clear parasites. These studies emphasize the critical role played by NKG2D in the NK-DC interaction, which apparently is important for the generation of robust CD8+ T cell immunity against intracellular pathogens. To the best of our knowledge, this is the first work that describes in vivo importance of NKG2D during natural infection.

  16. 2D-3D MIGRATION AND CONFORMATIONAL MULTIPLICATION OF CHEMICALS IN LARGE CHEMICAL INVENTORIES

    EPA Science Inventory

    Chemical interactions are three-dimensional (3D) in nature and require modeling chemicals as 3D entities. In turn, using 3D models of chemicals leads to the realization that a single 2D structure can have hundreds of different conformations, and the electronic properties of these...

  17. Effects of Cognitive Styles on 2D Drafting and Design Performance in Digital Media

    ERIC Educational Resources Information Center

    Pektas, Sule Tasli

    2010-01-01

    This paper investigates the interactions between design students' cognitive styles, as measured by Riding's Cognitive Styles Analysis, and performance in 2D drafting and design tasks in digital media. An empirical research revealed that Imager students outperformed Verbalisers in both drafting and creativity scores. Wholist-Analytic cognitive…

  18. Silicene, a promising new 2D material

    NASA Astrophysics Data System (ADS)

    Oughaddou, Hamid; Enriquez, Hanna; Tchalala, Mohammed Rachid; Yildirim, Handan; Mayne, Andrew J.; Bendounan, Azzedine; Dujardin, Gérald; Ait Ali, Mustapha; Kara, Abdelkader

    2015-02-01

    Silicene is emerging as a two-dimensional material with very attractive electronic properties for a wide range of applications; it is a particularly promising material for nano-electronics in silicon-based technology. Over the last decade, the existence and stability of silicene has been the subject of much debate. Theoretical studies were the first to predict a puckered honeycomb structure with electronic properties resembling those of graphene. Though these studies were for free-standing silicene, experimental fabrication of silicene has been achieved so far only through epitaxial growth on crystalline surfaces. Indeed, it was only in 2010 that researchers presented the first experimental evidence of the formation of silicene on Ag(1 1 0) and Ag(1 1 1), which has launched silicene in a similar way to graphene. This very active field has naturally led to the recent growth of silicene on Ir(1 1 1), ZrB2(0 0 0 1) and Au(1 1 0) substrates. However, the electronic properties of epitaxially grown silicene on metal surfaces are influenced by the strong silicene-metal interactions. This has prompted experimental studies of the growth of multi-layer silicene, though the nature of its "silicene" structure remains questionable. Of course, like graphene, synthesizing free-standing silicene represents the ultimate challenge. A first step towards this has been reported recently through chemical exfoliation from calcium disilicide (CaSi2). In this review, we discuss the experimental and theoretical studies of silicene performed to date. Special attention is given to different experimental studies of the electronic properties of silicene on metal substrates. New avenues for the growth of silicene on other substrates with different chemical characteristics are presented along with foreseeable applications such as nano-devices and novel batteries.

  19. Epitaxial 2D SnSe2/ 2D WSe2 van der Waals Heterostructures.

    PubMed

    Aretouli, Kleopatra Emmanouil; Tsoutsou, Dimitra; Tsipas, Polychronis; Marquez-Velasco, Jose; Aminalragia Giamini, Sigiava; Kelaidis, Nicolaos; Psycharis, Vassilis; Dimoulas, Athanasios

    2016-09-07

    van der Waals heterostructures of 2D semiconductor materials can be used to realize a number of (opto)electronic devices including tunneling field effect devices (TFETs). It is shown in this work that high quality SnSe2/WSe2 vdW heterostructure can be grown by molecular beam epitaxy on AlN(0001)/Si(111) substrates using a Bi2Se3 buffer layer. A valence band offset of 0.8 eV matches the energy gap of SnSe2 in such a way that the VB edge of WSe2 and the CB edge of SnSe2 are lined up, making this materials combination suitable for (nearly) broken gap TFETs.

  20. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    SciTech Connect

    He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo

    2013-02-15

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

  1. Circular photogalvanic effect caused by the transitions between edge and 2D states in a 2D topological insulator

    NASA Astrophysics Data System (ADS)

    Magarill, L. I.; Entin, M. V.

    2016-12-01

    The electron absorption and the edge photocurrent of a 2D topological insulator are studied for transitions between edge states to 2D states. The circular polarized light is found to produce the edge photocurrent, the direction of which is determined by light polarization and edge orientation. It is shown that the edge-state current is found to exceed the 2D current owing to the topological protection of the edge states.

  2. The Xis2d protein of CTnDOT binds to the intergenic region between the mob and tra operons

    PubMed Central

    Hopp, Crystal M.; Gardner, Jeffrey F.; Salyers, Abigail A.

    2015-01-01

    CTnDOT is a 65kbp integrative and conjugative element (ICE) that carries genes encoding both tetracycline and erythromycin resistances. The Excision operon of this element encodes Xis2c, Xis2d, and Exc proteins involved in the excision of CTnDOT from host chromosomes. These proteins are also required in the complex transcriptional regulation of the divergently transcribed transfer (tra) and mobilization (mob) operons of CTnDOT. Transcription of the tra operon is positively regulated by Xis2c and Xis2d, whereas, transcription of the mob operon is positively regulated by Xis2d and Exc. Xis2d is the only protein that is involved in the excision reaction, as well as the transcriptional regulation of both the mob and tra operons. This paper helps establish how Xis2d binds the DNA in the mob and tra region. Unlike other excisionase proteins, Xis2d binds a region of dyad symmetry. The binding site is located in the intergenic region between the mob and tra promoters, and once bound Xis2d induces a bend in the DNA. Xis2d binding to this region could be the preliminary step for the activation of both operons. Then the other proteins, like Exc, can interact with Xis2d and form higher order complexes. PMID:26212728

  3. Ab initio modeling of 2D layered organohalide lead perovskites

    NASA Astrophysics Data System (ADS)

    Fraccarollo, Alberto; Cantatore, Valentina; Boschetto, Gabriele; Marchese, Leonardo; Cossi, Maurizio

    2016-04-01

    A number of 2D layered perovskites A2PbI4 and BPbI4, with A and B mono- and divalent ammonium and imidazolium cations, have been modeled with different theoretical methods. The periodic structures have been optimized (both in monoclinic and in triclinic systems, corresponding to eclipsed and staggered arrangements of the inorganic layers) at the DFT level, with hybrid functionals, Gaussian-type orbitals and dispersion energy corrections. With the same methods, the various contributions to the solid stabilization energy have been discussed, separating electrostatic and dispersion energies, organic-organic intralayer interactions and H-bonding effects, when applicable. Then the electronic band gaps have been computed with plane waves, at the DFT level with scalar and full relativistic potentials, and including the correlation energy through the GW approximation. Spin orbit coupling and GW effects have been combined in an additive scheme, validated by comparing the computed gap with well known experimental and theoretical results for a model system. Finally, various contributions to the computed band gaps have been discussed on some of the studied systems, by varying some geometrical parameters and by substituting one cation in another's place.

  4. Tracking of deformable target in 2D ultrasound images

    NASA Astrophysics Data System (ADS)

    Royer, Lucas; Marchal, Maud; Le Bras, Anthony; Dardenne, Guillaume; Krupa, Alexandre

    2015-03-01

    In this paper, we propose a novel approach for automatically tracking deformable target within 2D ultrasound images. Our approach uses only dense information combined with a physically-based model and has therefore the advantage of not using any fiducial marker nor a priori knowledge on the anatomical environment. The physical model is represented by a mass-spring damper system driven by different types of forces where the external forces are obtained by maximizing image similarity metric between a reference target and a deformed target across the time. This deformation is represented by a parametric warping model where the optimal parameters are estimated from the intensity variation. This warping function is well-suited to represent localized deformations in the ultrasound images because it directly links the forces applied on each mass with the motion of all the pixels in its vicinity. The internal forces constrain the deformation to physically plausible motions, and reduce the sensitivity to the speckle noise. The approach was validated on simulated and real data, both for rigid and free-form motions of soft tissues. The results are very promising since the deformable target could be tracked with a good accuracy for both types of motion. Our approach opens novel possibilities for computer-assisted interventions where deformable organs are involved and could be used as a new tool for interactive tracking of soft tissues in ultrasound images.

  5. 2D modeling of electromagnetic waves in cold plasmas

    SciTech Connect

    Crombé, K.; Van Eester, D.; Koch, R.; Kyrytsya, V.

    2014-02-12

    The consequences of sheath (rectified) electric fields, resulting from the different mobility of electrons and ions as a response to radio frequency (RF) fields, are a concern for RF antenna design as it can cause damage to antenna parts, limiters and other in-vessel components. As a first step to a more complete description, the usual cold plasma dielectric description has been adopted, and the density profile was assumed to be known as input. Ultimately, the relevant equations describing the wave-particle interaction both on the fast and slow timescale will need to be tackled but prior to doing so was felt as a necessity to get a feeling of the wave dynamics involved. Maxwell's equations are solved for a cold plasma in a 2D antenna box with strongly varying density profiles crossing also lower hybrid and ion-ion hybrid resonance layers. Numerical modelling quickly becomes demanding on computer power, since a fine grid spacing is required to capture the small wavelengths effects of strongly evanescent modes.

  6. Femtosecond Dynamics of Electrons in 2-D Dissipative Systems

    NASA Astrophysics Data System (ADS)

    Harris, Charles

    2000-03-01

    Transitions between weakly coupled initial and final states can be treated with a lowest order perturbation theory in the electronic coupling which yields the well-known golden rule in this non-adiabatic limit. In strongly interacting systems, one often resorts to semiclassical treatments, such as the Landau-Zener formula for the transition probability in the adiabatic limit. Recent electron transfer theory by Stuchebrukhov and Song treats the two limit on equal footing by summing over all perturbation orders in electronic coupling[1]. Here we present the application of this theory to model the dynamics of electron self-trapping in 2-D at the n-heptane/Ag(111) and anthracene/Ag(111) interface. Our results revealed an intermediate electronic coupling for the self-trapping process at the n-heptane/Ag(111) interface which can mainly be described by a non-adiabatic process. Results for electron self-trapping at the anthracene/Ag(111) interface revealed a stronger electronic coupling which requires the summing of higher perturbation orders. [1] A.A. Stuchebrukhov and X. song, J. Chem. Phys. 101, 9354, 1994. [2] N.-H. Ge,C.M. Wong, R.L. Lingle, Jr., J.D. McNeill, K.J. Gaffney, and C.B. Harris, Science 279, 202, 1998.

  7. Energy Efficiency of D2D Multi-User Cooperation.

    PubMed

    Zhang, Zufan; Wang, Lu; Zhang, Jie

    2017-03-28

    The Device-to-Device (D2D) communication system is an important part of heterogeneous networks. It has great potential to improve spectrum efficiency, throughput and energy efficiency cooperation of multiple D2D users with the advantage of direct communication. When cooperating, D2D users expend extraordinary energy to relay data to other D2D users. Hence, the remaining energy of D2D users determines the life of the system. This paper proposes a cooperation scheme for multiple D2D users who reuse the orthogonal spectrum and are interested in the same data by aiming to solve the energy problem of D2D users. Considering both energy availability and the Signal to Noise Ratio (SNR) of each D2D user, the Kuhn-Munkres algorithm is introduced in the cooperation scheme to solve relay selection problems. Thus, the cooperation issue is transformed into a maximum weighted matching (MWM) problem. In order to enhance energy efficiency without the deterioration of Quality of Service (QoS), the link outage probability is derived according to the Shannon Equation by considering the data rate and delay. The simulation studies the relationships among the number of cooperative users, the length of shared data, the number of data packets and energy efficiency.

  8. Integrating Mobile Multimedia into Textbooks: 2D Barcodes

    ERIC Educational Resources Information Center

    Uluyol, Celebi; Agca, R. Kagan

    2012-01-01

    The major goal of this study was to empirically compare text-plus-mobile phone learning using an integrated 2D barcode tag in a printed text with three other conditions described in multimedia learning theory. The method examined in the study involved modifications of the instructional material such that: a 2D barcode was used near the text, the…

  9. Efficient Visible Quasi-2D Perovskite Light-Emitting Diodes.

    PubMed

    Byun, Jinwoo; Cho, Himchan; Wolf, Christoph; Jang, Mi; Sadhanala, Aditya; Friend, Richard H; Yang, Hoichang; Lee, Tae-Woo

    2016-09-01

    Efficient quasi-2D-structure perovskite light-emitting diodes (4.90 cd A(-1) ) are demonstrated by mixing a 3D-structured perovskite material (methyl ammonium lead bromide) and a 2D-structured perovskite material (phenylethyl ammonium lead bromide), which can be ascribed to better film uniformity, enhanced exciton confinement, and reduced trap density.

  10. Adaptation algorithms for 2-D feedforward neural networks.

    PubMed

    Kaczorek, T

    1995-01-01

    The generalized weight adaptation algorithms presented by J.G. Kuschewski et al. (1993) and by S.H. Zak and H.J. Sira-Ramirez (1990) are extended for 2-D madaline and 2-D two-layer feedforward neural nets (FNNs).

  11. Regulation of ligands for the NKG2D activating receptor

    PubMed Central

    Raulet, David H.; Gasser, Stephan; Gowen, Benjamin G.; Deng, Weiwen; Jung, Heiyoun

    2014-01-01

    NKG2D is an activating receptor expressed by all NK cells and subsets of T cells. It serves as a major recognition receptor for detection and elimination of transformed and infected cells and participates in the genesis of several inflammatory diseases. The ligands for NKG2D are self-proteins that are induced by pathways that are active in certain pathophysiological states. NKG2D ligands are regulated transcriptionally, at the level of mRNA and protein stability, and by cleavage from the cell surface. In some cases, ligand induction can be attributed to pathways that are activated specifically in cancer cells or infected cells. We review the numerous pathways that have been implicated in the regulation of NKG2D ligands, discuss the pathologic states in which those pathways are likely to act, and attempt to synthesize the findings into general schemes of NKG2D ligand regulation in NK cell responses to cancer and infection. PMID:23298206

  12. 2D materials and van der Waals heterostructures.

    PubMed

    Novoselov, K S; Mishchenko, A; Carvalho, A; Castro Neto, A H

    2016-07-29

    The physics of two-dimensional (2D) materials and heterostructures based on such crystals has been developing extremely fast. With these new materials, truly 2D physics has begun to appear (for instance, the absence of long-range order, 2D excitons, commensurate-incommensurate transition, etc.). Novel heterostructure devices--such as tunneling transistors, resonant tunneling diodes, and light-emitting diodes--are also starting to emerge. Composed from individual 2D crystals, such devices use the properties of those materials to create functionalities that are not accessible in other heterostructures. Here we review the properties of novel 2D crystals and examine how their properties are used in new heterostructure devices.

  13. New generation transistor technologies enabled by 2D crystals

    NASA Astrophysics Data System (ADS)

    Jena, D.

    2013-05-01

    The discovery of graphene opened the door to 2D crystal materials. The lack of a bandgap in 2D graphene makes it unsuitable for electronic switching transistors in the conventional field-effect sense, though possible techniques exploiting the unique bandstructure and nanostructures are being explored. The transition metal dichalcogenides have 2D crystal semiconductors, which are well-suited for electronic switching. We experimentally demonstrate field effect transistors with current saturation and carrier inversion made from layered 2D crystal semiconductors such as MoS2, WS2, and the related family. We also evaluate the feasibility of such semiconducting 2D crystals for tunneling field effect transistors for low-power digital logic. The article summarizes the current state of new generation transistor technologies either proposed, or demonstrated, with a commentary on the challenges and prospects moving forward.

  14. Estrogen-Induced Cholestasis Leads to Repressed CYP2D6 Expression in CYP2D6-Humanized Mice.

    PubMed

    Pan, Xian; Jeong, Hyunyoung

    2015-07-01

    Cholestasis activates bile acid receptor farnesoid X receptor (FXR) and subsequently enhances hepatic expression of small heterodimer partner (SHP). We previously demonstrated that SHP represses the transactivation of cytochrome P450 2D6 (CYP2D6) promoter by hepatocyte nuclear factor (HNF) 4α. In this study, we investigated the effects of estrogen-induced cholestasis on CYP2D6 expression. Estrogen-induced cholestasis occurs in subjects receiving estrogen for contraception or hormone replacement, or in susceptible women during pregnancy. In CYP2D6-humanized transgenic (Tg-CYP2D6) mice, cholestasis triggered by administration of 17α-ethinylestradiol (EE2) at a high dose led to 2- to 3-fold decreases in CYP2D6 expression. This was accompanied by increased hepatic SHP expression and subsequent decreases in the recruitment of HNF4α to CYP2D6 promoter. Interestingly, estrogen-induced cholestasis also led to increased recruitment of estrogen receptor (ER) α, but not that of FXR, to Shp promoter, suggesting a predominant role of ERα in transcriptional regulation of SHP in estrogen-induced cholestasis. EE2 at a low dose (that does not cause cholestasis) also increased SHP (by ∼ 50%) and decreased CYP2D6 expression (by 1.5-fold) in Tg-CYP2D6 mice, the magnitude of differences being much smaller than that shown in EE2-induced cholestasis. Taken together, our data indicate that EE2-induced cholestasis increases SHP and represses CYP2D6 expression in Tg-CYP2D6 mice in part through ERα transactivation of Shp promoter.

  15. FRANC2D: A two-dimensional crack propagation simulator. Version 2.7: User's guide

    NASA Technical Reports Server (NTRS)

    Wawrzynek, Paul; Ingraffea, Anthony

    1994-01-01

    FRANC 2D (FRacture ANalysis Code, 2 Dimensions) is a menu driven, interactive finite element computer code that performs fracture mechanics analyses of 2-D structures. The code has an automatic mesh generator for triangular and quadrilateral elements. FRANC2D calculates the stress intensity factor using linear elastic fracture mechanics and evaluates crack extension using several methods that may be selected by the user. The code features a mesh refinement and adaptive mesh generation capability that is automatically developed according to the predicted crack extension direction and length. The code also has unique features that permit the analysis of layered structure with load transfer through simulated mechanical fasteners or bonded joints. The code was written for UNIX workstations with X-windows graphics and may be executed on the following computers: DEC DecStation 3000 and 5000 series, IBM RS/6000 series, Hewlitt-Packard 9000/700 series, SUN Sparc stations, and most Silicon Graphics models.

  16. Gravitational Wave Signals from 2D and 3D Core Collapse Supernova Explosions

    NASA Astrophysics Data System (ADS)

    Yakunin, Konstantin; Mezzacappa, Anthony; Marronetti, Pedro; Bruenn, Stephen; Hix, W. Raphael; Lentz, Eric J.; Messer, O. E. Bronson; Harris, J. Austin; Endeve, Eirik; Blondin, John

    2016-03-01

    We study two- and three-dimensional (2D and 3D) core-collapse supernovae (CCSN) using our first-principles CCSN simulations performed with the neutrino hydrodynamics code CHIMERA. The following physics is included: Newtonian hydrodynamics with a nuclear equation of state capable of describing matter in both NSE and non-NSE, MGFLD neutrino transport with realistic neutrino interactions, an effective GR gravitational potential, and a nuclear reaction network. Both our 2D and 3D models achieve explosion, which in turn enables us to determine their complete gravitational wave signals. In this talk, we present them, and we analyze the similarities and differences between the 2D and 3D signals.

  17. Targeted fluorescence imaging enhanced by 2D materials: a comparison between 2D MoS2 and graphene oxide.

    PubMed

    Xie, Donghao; Ji, Ding-Kun; Zhang, Yue; Cao, Jun; Zheng, Hu; Liu, Lin; Zang, Yi; Li, Jia; Chen, Guo-Rong; James, Tony D; He, Xiao-Peng

    2016-08-04

    Here we demonstrate that 2D MoS2 can enhance the receptor-targeting and imaging ability of a fluorophore-labelled ligand. The 2D MoS2 has an enhanced working concentration range when compared with graphene oxide, resulting in the improved imaging of both cell and tissue samples.

  18. Interferometric 2D Sum Frequency Generation Spectroscopy Reveals Structural Heterogeneity of Catalytic Monolayers on Transparent Materials.

    PubMed

    Vanselous, Heather; Stingel, Ashley M; Petersen, Poul B

    2017-02-16

    Molecular monolayers exhibit structural and dynamical properties that are different from their bulk counterparts due to their interaction with the substrate. Extracting these distinct properties is crucial for a better understanding of processes such as heterogeneous catalysis and interfacial charge transfer. Ultrafast nonlinear spectroscopic techniques such as 2D infrared (2D IR) spectroscopy are powerful tools for understanding molecular dynamics in complex bulk systems. Here, we build on technical advancements in 2D IR and heterodyne-detected sum frequency generation (SFG) spectroscopy to study a CO2 reduction catalyst on nanostructured TiO2 with interferometric 2D SFG spectroscopy. Our method combines phase-stable heterodyne detection employing an external local oscillator with a broad-band pump pulse pair to provide the first high spectral and temporal resolution 2D SFG spectra of a transparent material. We determine the overall molecular orientation of the catalyst and find that there is a static structural heterogeneity reflective of different local environments at the surface.

  19. Metabolism of methoxyphenamine in vitro by a CYP2D6 microsomal preparation.

    PubMed

    Coutts, R T; Bolaji, O O; Su, P; Baker, G B

    1994-01-01

    Metabolism of methoxyphenamine (MP) was conducted in vitro using commercially available microsomes prepared from human AHH-1 TK+/-cells in which CYP2D6 had been expressed. This study has confirmed the involvement of CYP2D6 in the metabolism of MP to O-desmethylmethoxyphenamine (ODMP) and 5-hydroxymethoxyphenamine (5HMP), but not to N-desmethylmethoxyphenamine. It has also revealed that CYP2D6 catalyzes the formation of another, hitherto unknown, ring-hydroxylated metabolite of MP, isomeric with 5HMP. The analytical procedure used to identify and quantify MP metabolites involved an acetylation procedure that had distinct advantages. MP and its basic and amphoteric metabolites were all converted to neutral products that were efficiently extracted into organic solvent. The acetylated products also had good chromatographic properties and provided mass spectra that were readily interpretable. MP metabolism studies were also conducted with CYP2D6 microsomes in the presence of quinidine and quinine. The former was the more potent inhibitor of CYP2D6-catalyzed oxidations of MP. Its inclusion resulted in complete inhibition of metabolism of MP to ODMP, 5HMP, and its novel isomer. This study shows that the in vitro use of human cytochrome P450 isozyme preparations in drug metabolism studies can aid in the identification of possible in vivo metabolites of these drugs in humans and can provide information on putative drug-drug interactions.

  20. Efficient 2D MRI relaxometry using compressed sensing

    NASA Astrophysics Data System (ADS)

    Bai, Ruiliang; Cloninger, Alexander; Czaja, Wojciech; Basser, Peter J.

    2015-06-01

    Potential applications of 2D relaxation spectrum NMR and MRI to characterize complex water dynamics (e.g., compartmental exchange) in biology and other disciplines have increased in recent years. However, the large amount of data and long MR acquisition times required for conventional 2D MR relaxometry limits its applicability for in vivo preclinical and clinical MRI. We present a new MR pipeline for 2D relaxometry that incorporates compressed sensing (CS) as a means to vastly reduce the amount of 2D relaxation data needed for material and tissue characterization without compromising data quality. Unlike the conventional CS reconstruction in the Fourier space (k-space), the proposed CS algorithm is directly applied onto the Laplace space (the joint 2D relaxation data) without compressing k-space to reduce the amount of data required for 2D relaxation spectra. This framework is validated using synthetic data, with NMR data acquired in a well-characterized urea/water phantom, and on fixed porcine spinal cord tissue. The quality of the CS-reconstructed spectra was comparable to that of the conventional 2D relaxation spectra, as assessed using global correlation, local contrast between peaks, peak amplitude and relaxation parameters, etc. This result brings this important type of contrast closer to being realized in preclinical, clinical, and other applications.

  1. 2D vs. 3D mammography observer study

    NASA Astrophysics Data System (ADS)

    Fernandez, James Reza F.; Hovanessian-Larsen, Linda; Liu, Brent

    2011-03-01

    Breast cancer is the most common type of non-skin cancer in women. 2D mammography is a screening tool to aid in the early detection of breast cancer, but has diagnostic limitations of overlapping tissues, especially in dense breasts. 3D mammography has the potential to improve detection outcomes by increasing specificity, and a new 3D screening tool with a 3D display for mammography aims to improve performance and efficiency as compared to 2D mammography. An observer study using a mammography phantom was performed to compare traditional 2D mammography with this ne 3D mammography technique. In comparing 3D and 2D mammography there was no difference in calcification detection, and mass detection was better in 2D as compared to 3D. There was a significant decrease in reading time for masses, calcifications, and normals in 3D compared to 2D, however, as well as more favorable confidence levels in reading normal cases. Given the limitations of the mammography phantom used, however, a clearer picture in comparing 3D and 2D mammography may be better acquired with the incorporation of human studies in the future.

  2. Joint 2D and 3D phase processing for quantitative susceptibility mapping: application to 2D echo-planar imaging.

    PubMed

    Wei, Hongjiang; Zhang, Yuyao; Gibbs, Eric; Chen, Nan-Kuei; Wang, Nian; Liu, Chunlei

    2017-04-01

    Quantitative susceptibility mapping (QSM) measures tissue magnetic susceptibility and typically relies on time-consuming three-dimensional (3D) gradient-echo (GRE) MRI. Recent studies have shown that two-dimensional (2D) multi-slice gradient-echo echo-planar imaging (GRE-EPI), which is commonly used in functional MRI (fMRI) and other dynamic imaging techniques, can also be used to produce data suitable for QSM with much shorter scan times. However, the production of high-quality QSM maps is difficult because data obtained by 2D multi-slice scans often have phase inconsistencies across adjacent slices and strong susceptibility field gradients near air-tissue interfaces. To address these challenges in 2D EPI-based QSM studies, we present a new data processing procedure that integrates 2D and 3D phase processing. First, 2D Laplacian-based phase unwrapping and 2D background phase removal are performed to reduce phase inconsistencies between slices and remove in-plane harmonic components of the background phase. This is followed by 3D background phase removal for the through-plane harmonic components. The proposed phase processing was evaluated with 2D EPI data obtained from healthy volunteers, and compared against conventional 3D phase processing using the same 2D EPI datasets. Our QSM results were also compared with QSM values from time-consuming 3D GRE data, which were taken as ground truth. The experimental results show that this new 2D EPI-based QSM technique can produce quantitative susceptibility measures that are comparable with those of 3D GRE-based QSM across different brain regions (e.g. subcortical iron-rich gray matter, cortical gray and white matter). This new 2D EPI QSM reconstruction method is implemented within STI Suite, which is a comprehensive shareware for susceptibility imaging and quantification. Copyright © 2016 John Wiley & Sons, Ltd.

  3. NKG2D receptor and its ligands in host defense

    PubMed Central

    Lanier, Lewis L.

    2015-01-01

    NKG2D is an activating receptor expressed on the surface of natural killer (NK) cells, CD8+ T cells, and subsets of CD4+ T cells, iNKT cells, and γδ T cells. In humans NKG2D transmits signals by its association with the DAP10 adapter subunit and in mice alternatively spliced isoforms transmit signals either using DAP10 or DAP12 adapter subunits. Although NKG2D is encoded by a highly conserved gene (KLRK1) with limited polymorphism, the receptor recognizes an extensive repertoire of ligands, encoded by at least 8 genes in humans (MICA, MICB, RAET1E, RAET1G, RAET1H, RAET1I, RAET1L, and RAET1N), some with extensive allelic polymorphism. Expression of the NKG2D ligands is tightly regulated at the level of transcription, translation, and post-translation. In general healthy adult tissues do not express NKG2D glycoproteins on the cell surface, but these ligands can be induced by hyper-proliferation and transformation, as well as when cells are infected by pathogens. Thus, the NKG2D pathway serves a mechanism for the immune system to detect and eliminate cells that have undergone “stress”. Viruses and tumor cells have devised numerous strategies to evade detection by the NKG2D surveillance system and diversification of the NKG2D ligand genes likely has been driven by selective pressures imposed by pathogens. NKG2D provides an attractive target for therapeutics in the treatment of infectious diseases, cancer, and autoimmune diseases. PMID:26041808

  4. NKG2D Receptor and Its Ligands in Host Defense.

    PubMed

    Lanier, Lewis L

    2015-06-01

    NKG2D is an activating receptor expressed on the surface of natural killer (NK) cells, CD8(+) T cells, and subsets of CD4(+) T cells, invariant NKT cells (iNKT), and γδ T cells. In humans, NKG2D transmits signals by its association with the DAP10 adapter subunit, and in mice alternatively spliced isoforms transmit signals either using DAP10 or DAP12 adapter subunits. Although NKG2D is encoded by a highly conserved gene (KLRK1) with limited polymorphism, the receptor recognizes an extensive repertoire of ligands, encoded by at least eight genes in humans (MICA, MICB, RAET1E, RAET1G, RAET1H, RAET1I, RAET1L, and RAET1N), some with extensive allelic polymorphism. Expression of the NKG2D ligands is tightly regulated at the level of transcription, translation, and posttranslation. In general, healthy adult tissues do not express NKG2D glycoproteins on the cell surface, but these ligands can be induced by hyperproliferation and transformation, as well as when cells are infected by pathogens. Thus, the NKG2D pathway serves as a mechanism for the immune system to detect and eliminate cells that have undergone "stress." Viruses and tumor cells have devised numerous strategies to evade detection by the NKG2D surveillance system, and diversification of the NKG2D ligand genes likely has been driven by selective pressures imposed by pathogens. NKG2D provides an attractive target for therapeutics in the treatment of infectious diseases, cancer, and autoimmune diseases.

  5. 2-D Versus 3-D Magnetotelluric Data Interpretation

    NASA Astrophysics Data System (ADS)

    Ledo, Juanjo

    2005-09-01

    In recent years, the number of publications dealing with the mathematical and physical 3-D aspects of the magnetotelluric method has increased drastically. However, field experiments on a grid are often impractical and surveys are frequently restricted to single or widely separated profiles. So, in many cases we find ourselves with the following question: is the applicability of the 2-D hypothesis valid to extract geoelectric and geological information from real 3-D environments? The aim of this paper is to explore a few instructive but general situations to understand the basics of a 2-D interpretation of 3-D magnetotelluric data and to determine which data subset (TE-mode or TM-mode) is best for obtaining the electrical conductivity distribution of the subsurface using 2-D techniques. A review of the mathematical and physical fundamentals of the electromagnetic fields generated by a simple 3-D structure allows us to prioritise the choice of modes in a 2-D interpretation of responses influenced by 3-D structures. This analysis is corroborated by numerical results from synthetic models and by real data acquired by other authors. One important result of this analysis is that the mode most unaffected by 3-D effects depends on the position of the 3-D structure with respect to the regional 2-D strike direction. When the 3-D body is normal to the regional strike, the TE-mode is affected mainly by galvanic effects, while the TM-mode is affected by galvanic and inductive effects. In this case, a 2-D interpretation of the TM-mode is prone to error. When the 3-D body is parallel to the regional 2-D strike the TE-mode is affected by galvanic and inductive effects and the TM-mode is affected mainly by galvanic effects, making it more suitable for 2-D interpretation. In general, a wise 2-D interpretation of 3-D magnetotelluric data can be a guide to a reasonable geological interpretation.

  6. Recent advances in 2D materials for photocatalysis.

    PubMed

    Luo, Bin; Liu, Gang; Wang, Lianzhou

    2016-04-07

    Two-dimensional (2D) materials have attracted increasing attention for photocatalytic applications because of their unique thickness dependent physical and chemical properties. This review gives a brief overview of the recent developments concerning the chemical synthesis and structural design of 2D materials at the nanoscale and their applications in photocatalytic areas. In particular, recent progress on the emerging strategies for tailoring 2D material-based photocatalysts to improve their photo-activity including elemental doping, heterostructure design and functional architecture assembly is discussed.

  7. Comparison of 2D and 3D gamma analyses

    SciTech Connect

    Pulliam, Kiley B.; Huang, Jessie Y.; Howell, Rebecca M.; Followill, David; Kry, Stephen F.; Bosca, Ryan; O’Daniel, Jennifer

    2014-02-15

    Purpose: As clinics begin to use 3D metrics for intensity-modulated radiation therapy (IMRT) quality assurance, it must be noted that these metrics will often produce results different from those produced by their 2D counterparts. 3D and 2D gamma analyses would be expected to produce different values, in part because of the different search space available. In the present investigation, the authors compared the results of 2D and 3D gamma analysis (where both datasets were generated in the same manner) for clinical treatment plans. Methods: Fifty IMRT plans were selected from the authors’ clinical database, and recalculated using Monte Carlo. Treatment planning system-calculated (“evaluated dose distributions”) and Monte Carlo-recalculated (“reference dose distributions”) dose distributions were compared using 2D and 3D gamma analysis. This analysis was performed using a variety of dose-difference (5%, 3%, 2%, and 1%) and distance-to-agreement (5, 3, 2, and 1 mm) acceptance criteria, low-dose thresholds (5%, 10%, and 15% of the prescription dose), and data grid sizes (1.0, 1.5, and 3.0 mm). Each comparison was evaluated to determine the average 2D and 3D gamma, lower 95th percentile gamma value, and percentage of pixels passing gamma. Results: The average gamma, lower 95th percentile gamma value, and percentage of passing pixels for each acceptance criterion demonstrated better agreement for 3D than for 2D analysis for every plan comparison. The average difference in the percentage of passing pixels between the 2D and 3D analyses with no low-dose threshold ranged from 0.9% to 2.1%. Similarly, using a low-dose threshold resulted in a difference between the mean 2D and 3D results, ranging from 0.8% to 1.5%. The authors observed no appreciable differences in gamma with changes in the data density (constant difference: 0.8% for 2D vs 3D). Conclusions: The authors found that 3D gamma analysis resulted in up to 2.9% more pixels passing than 2D analysis. It must

  8. CYP2D plays a major role in berberine metabolism in liver of mice and humans.

    PubMed

    Guo, Ying; Li, Feng; Ma, Xiaochao; Cheng, Xingguo; Zhou, Honghao; Klaassen, Curtis D

    2011-11-01

    Berberine is a widely used plant extract for gastrointestinal infections, and is reported to have potential benefits in treatment for diabetes and hypercholesterolemia. It has been suggested that interactions between berberine-containing products and cytochromes P450 (CYPs) exist, but little is known about which CYPs mediate the metabolism of berberine in vivo. In this study, berberine metabolites in urine and feces of mice were analyzed, and the role that CYPs play in producing these metabolites were characterized in liver microsomes from mice (MLM) and humans (HLM), as well as recombinant human CYPs. Eleven berberine metabolites were identified in mice, including 5 unconjugated metabolites, mainly in feces, and 6 glucuronide and sulfate conjugates, predominantly in urine. Three novel berberine metabolites were observed. Three unconjugated metabolites of berberine were produced by MLM, HLM, and recombinant human CYPs. CYP2D6 was the primary recombinant human CYP producing these metabolites, followed by CYP1A2, 3A4, 2E1 and CYP2C19. The metabolism of berberine in MLM and HLM was decreased the most by a CYP2D inhibitor, and moderately by inhibitors of CYP1A and 3A. CYP2D plays a major role in berberine biotransformation, therefore, CYP2D6 pharmacogenetics and potential drug-drug interactions should be considered when berberine is used.

  9. Electrostatic 2D assembly of bionanoparticles on a cationic lipid monolayer.

    NASA Astrophysics Data System (ADS)

    Kewalramani, Sumit; Wang, Suntao; Fukuto, Masafumi; Yang, Lin; Niu, Zhongwei; Nguyen, Giang; Wang, Qian

    2010-03-01

    We present a grazing-incidence small-angle X-ray scattering (GISAXS) study on 2D assembly of cowpea mosaic virus (CPMV) under a mixed cationic-zwitterionic (DMTAP^+-DMPC) lipid monolayer at the air-water interface. The inter-particle and particle-lipid electrostatic interactions were varied by controlling the subphase pH and the membrane charge density. GISAXS data show that 2D crystals of CPMV are formed above a threshold membrane charge density and only in a narrow pH range just above CPMV's isoelectric point, where the charge on CPMV is expected to be weakly negative. The particle density for the 2D crystals is similar to that for the densest lattice plane in the 3D crystals of CPMV. The results show that the 2D crystallization is achieved in the part of the phase space where the electrostatic interactions are expected to maximize the adsorption of CPMV onto the lipid membrane. This electrostatics-based strategy for controlling interfacial nanoscale assembly should be generally applicable to other nanoparticles.

  10. Double resonance rotational spectroscopy of CH2D+

    NASA Astrophysics Data System (ADS)

    Töpfer, Matthias; Jusko, Pavol; Schlemmer, Stephan; Asvany, Oskar

    2016-09-01

    Context. Deuterated forms of CH are thought to be responsible for deuterium enrichment in lukewarm astronomical environments. There is no unambiguous detection of CH2D+ in space to date. Aims: Four submillimetre rotational lines of CH2D+ are documented in the literature. Our aim is to present a complete dataset of highly resolved rotational lines, including millimetre (mm) lines needed for a potential detection. Methods: We used a low-temperature ion trap and applied a novel IR-mm-wave double resonance method to measure the rotational lines of CH2D+. Results: We measured 21 low-lying (J ≤ 4) rotational transitions of CH2D+ between 23 GHz and 1.1 THz with accuracies close to 2 ppb.

  11. Recovering 3D particle size distributions from 2D sections

    NASA Astrophysics Data System (ADS)

    Cuzzi, Jeffrey N.; Olson, Daniel M.

    2017-03-01

    We discuss different ways to convert observed, apparent particle size distributions from 2D sections (thin sections, SEM maps on planar surfaces, etc.) into true 3D particle size distributions. We give a simple, flexible, and practical method to do this; show which of these techniques gives the most faithful conversions; and provide (online) short computer codes to calculate both 2D-3D recoveries and simulations of 2D observations by random sectioning. The most important systematic bias of 2D sectioning, from the standpoint of most chondrite studies, is an overestimate of the abundance of the larger particles. We show that fairly good recoveries can be achieved from observed size distributions containing 100-300 individual measurements of apparent particle diameter.

  12. Phonon thermal conduction in novel 2D materials

    NASA Astrophysics Data System (ADS)

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-01

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS2, black phosphorous and silicene.

  13. Recent developments in 2D layered inorganic nanomaterials for sensing

    NASA Astrophysics Data System (ADS)

    Kannan, Padmanathan Karthick; Late, Dattatray J.; Morgan, Hywel; Rout, Chandra Sekhar

    2015-08-01

    Two dimensional layered inorganic nanomaterials (2D-LINs) have recently attracted huge interest because of their unique thickness dependent physical and chemical properties and potential technological applications. The properties of these layered materials can be tuned via both physical and chemical processes. Some 2D layered inorganic nanomaterials like MoS2, WS2 and SnS2 have been recently developed and employed in various applications, including new sensors because of their layer-dependent electrical properties. This article presents a comprehensive overview of recent developments in the application of 2D layered inorganic nanomaterials as sensors. Some of the salient features of 2D materials for different sensing applications are discussed, including gas sensing, electrochemical sensing, SERS and biosensing, SERS sensing and photodetection. The working principles of the sensors are also discussed together with examples.

  14. Phonon thermal conduction in novel 2D materials.

    PubMed

    Xu, Xiangfan; Chen, Jie; Li, Baowen

    2016-12-07

    Recently, there has been increasing interest in phonon thermal transport in low-dimensional materials, due to the crucial importance of dissipating and managing heat in micro- and nano-electronic devices. Significant progress has been achieved for one-dimensional (1D) systems, both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges of fabricating suspended samples that are suitable for thermal measurements. In this review, we outline different experimental techniques and theoretical approaches for phonon thermal transport in 2D materials, discuss the problems and challenges of phonon thermal transport measurements and provide a comparison between existing experimental data. Special attention will be given to the effects of size, dimensionality, anisotropy and mode contributions in novel 2D systems, including graphene, boron nitride, MoS2, black phosphorous and silicene.

  15. Exact Solution of Ising Model in 2d Shortcut Network

    NASA Astrophysics Data System (ADS)

    Shanker, O.

    We give the exact solution to the Ising model in the shortcut network in the 2D limit. The solution is found by mapping the model to the square lattice model with Brascamp and Kunz boundary conditions.

  16. Technical Review of the UNET2D Hydraulic Model

    SciTech Connect

    Perkins, William A.; Richmond, Marshall C.

    2009-05-18

    The Kansas City District of the US Army Corps of Engineers is engaged in a broad range of river management projects that require knowledge of spatially-varied hydraulic conditions such as velocities and water surface elevations. This information is needed to design new structures, improve existing operations, and assess aquatic habitat. Two-dimensional (2D) depth-averaged numerical hydraulic models are a common tool that can be used to provide velocity and depth information. Kansas City District is currently using a specific 2D model, UNET2D, that has been developed to meet the needs of their river engineering applications. This report documents a tech- nical review of UNET2D.

  17. Reconstruction-based 3D/2D image registration.

    PubMed

    Tomazevic, Dejan; Likar, Bostjan; Pernus, Franjo

    2005-01-01

    In this paper we present a novel 3D/2D registration method, where first, a 3D image is reconstructed from a few 2D X-ray images and next, the preoperative 3D image is brought into the best possible spatial correspondence with the reconstructed image by optimizing a similarity measure. Because the quality of the reconstructed image is generally low, we introduce a novel asymmetric mutual information similarity measure, which is able to cope with low image quality as well as with different imaging modalities. The novel 3D/2D registration method has been evaluated using standardized evaluation methodology and publicly available 3D CT, 3DRX, and MR and 2D X-ray images of two spine phantoms, for which gold standard registrations were known. In terms of robustness, reliability and capture range the proposed method outperformed the gradient-based method and the method based on digitally reconstructed radiographs (DRRs).

  18. Alloyed 2D Metal-Semiconductor Atomic Layer Junctions.

    PubMed

    Kim, Ah Ra; Kim, Yonghun; Nam, Jaewook; Chung, Hee-Suk; Kim, Dong Jae; Kwon, Jung-Dae; Park, Sang Won; Park, Jucheol; Choi, Sun Young; Lee, Byoung Hun; Park, Ji Hyeon; Lee, Kyu Hwan; Kim, Dong-Ho; Choi, Sung Mook; Ajayan, Pulickel M; Hahm, Myung Gwan; Cho, Byungjin

    2016-03-09

    Heterostructures of compositionally and electronically variant two-dimensional (2D) atomic layers are viable building blocks for ultrathin optoelectronic devices. We show that the composition of interfacial transition region between semiconducting WSe2 atomic layer channels and metallic NbSe2 contact layers can be engineered through interfacial doping with Nb atoms. WxNb1-xSe2 interfacial regions considerably lower the potential barrier height of the junction, significantly improving the performance of the corresponding WSe2-based field-effect transistor devices. The creation of such alloyed 2D junctions between dissimilar atomic layer domains could be the most important factor in controlling the electronic properties of 2D junctions and the design and fabrication of 2D atomic layer devices.

  19. Dominant 2D magnetic turbulence in the solar wind

    NASA Technical Reports Server (NTRS)

    Bieber, John W.; Wanner, Wolfgang; Matthaeus, William H.

    1995-01-01

    There have been recent suggestions that solar wind magnetic turbulence may be a composite of slab geometry (wavevector aligned with the mean magnetic field) and 2D geometry (wavevectors perpendicular to the mean field). We report results of two new tests of this hypothesis using Helios measurements of inertial ranged magnetic spectra in the solar wind. The first test is based upon a characteristic difference between perpendicular and parallel reduced power spectra which is expected for the 2D component but not for the slab component. The second test examines the dependence of power spectrum density upon the magnetic field angle (i.e., the angle between the mean magnetic field and the radial direction), a relationship which is expected to be in opposite directions for the slab and 2D components. Both tests support the presence of a dominant (approximately 85 percent by energy) 2D component in solar wind magnetic turbulence.

  20. Studying Zeolite Catalysts with a 2D Model System

    SciTech Connect

    Boscoboinik, Anibal

    2016-12-07

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  1. Emerging and potential opportunities for 2D flexible nanoelectronics

    NASA Astrophysics Data System (ADS)

    Zhu, Weinan; Park, Saungeun; Akinwande, Deji

    2016-05-01

    The last 10 years have seen the emergence of two-dimensional (2D) nanomaterials such as graphene, transition metal dichalcogenides (TMDs), and black phosphorus (BP) among the growing portfolio of layered van der Waals thin films. Graphene, the prototypical 2D material has advanced rapidly in device, circuit and system studies that has resulted in commercial large-area applications. In this work, we provide a perspective of the emerging and potential translational applications of 2D materials including semiconductors, semimetals, and insulators that comprise the basic material set for diverse nanosystems. Applications include RF transceivers, smart systems, the so-called internet of things, and neurotechnology. We will review the DC and RF electronic performance of graphene and BP thin film transistors. 2D materials at sub-um channel length have so far enabled cut-off frequencies from baseband to 100GHz suitable for low-power RF and sub-THz concepts.

  2. Anisotropic 2D Materials for Tunable Hyperbolic Plasmonics.

    PubMed

    Nemilentsau, Andrei; Low, Tony; Hanson, George

    2016-02-12

    Motivated by the recent emergence of a new class of anisotropic 2D materials, we examine their electromagnetic modes and demonstrate that a broad class of the materials can host highly directional hyperbolic plasmons. Their propagation direction can be manipulated on the spot by gate doping, enabling hyperbolic beam reflection, refraction, and bending. The realization of these natural 2D hyperbolic media opens up a new avenue in dynamic control of hyperbolic plasmons not possible in the 3D version.

  3. RNA folding pathways and kinetics using 2D energy landscapes.

    PubMed

    Senter, Evan; Dotu, Ivan; Clote, Peter

    2015-01-01

    RNA folding pathways play an important role in various biological processes, such as (i) the hok/sok (host-killing/suppression of killing) system in E. coli to check for sufficient plasmid copy number, (ii) the conformational switch in spliced leader (SL) RNA from Leptomonas collosoma, which controls trans splicing of a portion of the '5 exon, and (iii) riboswitches--portions of the 5' untranslated region of messenger RNA that regulate genes by allostery. Since RNA folding pathways are determined by the energy landscape, we describe a novel algorithm, FFTbor2D, which computes the 2D projection of the energy landscape for a given RNA sequence. Given two metastable secondary structures A, B for a given RNA sequence, FFTbor2D computes the Boltzmann probability p(x, y) = Z(x,y)/Z that a secondary structure has base pair distance x from A and distance y from B. Using polynomial interpolationwith the fast Fourier transform,we compute p(x, y) in O(n(5)) time and O(n(2)) space, which is an improvement over an earlier method, which runs in O(n(7)) time and O(n(4)) space. FFTbor2D has potential applications in synthetic biology, where one might wish to design bistable switches having target metastable structures A, B with favorable pathway kinetics. By inverting the transition probability matrix determined from FFTbor2D output, we show that L. collosoma spliced leader RNA has larger mean first passage time from A to B on the 2D energy landscape, than 97.145% of 20,000 sequences, each having metastable structures A, B. Source code and binaries are freely available for download at http://bioinformatics.bc.edu/clotelab/FFTbor2D. The program FFTbor2D is implemented in C++, with optional OpenMP parallelization primitives.

  4. Supported and Free-Standing 2D Semimetals

    DTIC Science & Technology

    2015-01-15

    of this effort on focusing on rare- earth arsenides (RE-A), although not a van der Waals 2D solid, nonetheless, exhibits substantial 2D quantum size...this effort on focusing on rare- earth arsenides (RE- A), although not a van der Waals 20 solid, nonetheless, exhibits substantial 20 quantum size...Brongersma and S.R. Bank, "Rare- earth monopnictide alloys for tunable, epitaxial metals" in preparation. iii. S. Rahimi, E. M. Krivoy, J. Lee, M. E

  5. Application of 2-D graphical representation of DNA sequence

    NASA Astrophysics Data System (ADS)

    Liao, Bo; Tan, Mingshu; Ding, Kequan

    2005-10-01

    Recently, we proposed a 2-D graphical representation of DNA sequence [Bo Liao, A 2-D graphical representation of DNA sequence, Chem. Phys. Lett. 401 (2005) 196-199]. Based on this representation, we consider properties of mutations and compute the similarities among 11 mitochondrial sequences belonging to different species. The elements of the similarity matrix are used to construct phylogenic tree. Unlike most existing phylogeny construction methods, the proposed method does not require multiple alignment.

  6. phase_space_cosmo_fisher: Fisher matrix 2D contours

    NASA Astrophysics Data System (ADS)

    Stark, Alejo

    2016-11-01

    phase_space_cosmo_fisher produces Fisher matrix 2D contours from which the constraints on cosmological parameters can be derived. Given a specified redshift array and cosmological case, 2D marginalized contours of cosmological parameters are generated; the code can also plot the derivatives used in the Fisher matrix. In addition, this package can generate 3D plots of qH^2 and other cosmological quantities as a function of redshift and cosmology.

  7. Phylogenetic tree construction based on 2D graphical representation

    NASA Astrophysics Data System (ADS)

    Liao, Bo; Shan, Xinzhou; Zhu, Wen; Li, Renfa

    2006-04-01

    A new approach based on the two-dimensional (2D) graphical representation of the whole genome sequence [Bo Liao, Chem. Phys. Lett., 401(2005) 196.] is proposed to analyze the phylogenetic relationships of genomes. The evolutionary distances are obtained through measuring the differences among the 2D curves. The fuzzy theory is used to construct phylogenetic tree. The phylogenetic relationships of H5N1 avian influenza virus illustrate the utility of our approach.

  8. Regulation of NKG2D ligand gene expression.

    PubMed

    Eagle, Robert A; Traherne, James A; Ashiru, Omodele; Wills, Mark R; Trowsdale, John

    2006-03-01

    The activating immunoreceptor NKG2D has seven known host ligands encoded by the MHC class I chain-related MIC and ULBP/RAET genes. Why there is such diversity of NKG2D ligands is not known but one hypothesis is that they are differentially expressed in different tissues in response to different stresses. To explore this, we compared expression patterns and promoters of NKG2D ligand genes. ULBP/RAET genes were transcribed independent of each other in a panel of cell lines. ULBP/RAET gene expression was upregulated on infection with human cytomegalovirus; however, a clinical strain, Toledo, induced expression more slowly than did a laboratory strain, AD169. ULBP4/RAET1E was not induced by infection with either strain. To investigate the mechanisms behind the similarities and differences in NKG2D ligand gene expression a comparative sequence analysis of NKG2D ligand gene putative promoter regions was conducted. Sequence alignments demonstrated that there was significant sequence diversity; however, one region of high similarity between most of the genes is evident. This region contains a number of potential transcription factor binding sites, including those involved in shock responses and sites for retinoic acid-induced factors. Promoters of some NKG2D ligand genes are polymorphic and several sequence alterations in these alleles abolished putative transcription factor binding.

  9. CYP2D6 variability in populations from Venezuela.

    PubMed

    Moreno, Nancy; Flores-Angulo, Carlos; Villegas, Cecilia; Mora, Yuselin

    2016-12-01

    CYP2D6 is an important cytochrome P450 enzyme that plays an important role in the metabolism of about 25% of currently prescribed drugs. The presence of polymorphisms in the CYP2D6 gene may modulate enzyme level and activity, thereby affecting individual responses to pharmacological treatments. The most prevalent diseases in the admixed population from Venezuela are cardiovascular and cancer, whereas viral, bacterial and parasitic diseases, particularly malaria, are prevalent in Amerindian populations; in the treatment of these diseases, several drugs that are metabolized by CYP2D6 are used. In this work, we reviewed the data on CYP2D6 variability and predicted metabolizer phenotypes, in healthy volunteers of two admixed and five Amerindian populations from Venezuela. The Venezuelan population is very heterogeneous as a result of the genetic admixture of three major ethnical components: Europeans, Africans and Amerindians. There are noticeable inter-regional and inter-population differences in the process of mixing of this population. Hitherto, there are few published studies in Venezuela on CYP2D6; therefore, it is necessary to increase research in this regard, in particular to develop studies with a larger sample size. There is a considerable amount of work remaining before CYP2D6 is integrated into clinical practice in Venezuela.

  10. Individualization of tamoxifen therapy: much more than just CYP2D6 genotyping.

    PubMed

    Binkhorst, Lisette; Mathijssen, Ron H J; Jager, Agnes; van Gelder, Teun

    2015-03-01

    Clinical response to tamoxifen varies widely among women treated with this drug for hormone receptor-positive breast cancer. The principal active metabolite - endoxifen - is generated through hepatic metabolism of tamoxifen, with key roles for cytochrome P450 (CYP) CYP2D6 and CYP3A. By influencing endoxifen formation, genetic variants of CYP2D6 may affect response to tamoxifen. After a decade of research, examining the effects of CYP2D6 genetic variants on tamoxifen efficacy, there is still no agreement on the clinical utility of CYP2D6 genotype as biomarker for the prediction of breast cancer outcome, because studies revealed conflicting results. However, tamoxifen metabolism is complex and involves several other drug-metabolizing enzymes. Genetic variants of other CYP enzymes, including CYP3A4 and CYP2C9/19, as well as co-medication interfering with the metabolic activity of CYP2D6 and CYP3A4 have been shown to affect endoxifen concentrations and may also contribute to the variability in response to tamoxifen. Phenotyping strategies can predict endoxifen exposure more accurately than CYP2D6 genotype, but do not take into account all factors influencing endoxifen exposure. Therapeutic drug monitoring (TDM) is likely to be the optimal strategy for individualization of tamoxifen treatment. According to a growing amount of literature, endoxifen concentration seems to be a predictor of clinical outcome. The relationship between endoxifen levels and breast cancer outcomes has to be replicated and confirmed and the value of TDM should be evaluated in prospective clinical trials. Caution is advised regarding the concomitant use of medications which could interact with tamoxifen, including inhibitors and inducers of CYP enzymes.

  11. Latent heat induced rotation limited aggregation in 2D ice nanocrystals

    NASA Astrophysics Data System (ADS)

    Bampoulis, Pantelis; Siekman, Martin H.; Kooij, E. Stefan; Lohse, Detlef; Zandvliet, Harold J. W.; Poelsema, Bene

    2015-07-01

    The basic science responsible for the fascinating shapes of ice crystals and snowflakes is still not understood. Insufficient knowledge of the interaction potentials and the lack of relevant experimental access to the growth process are to blame for this failure. Here, we study the growth of fractal nanostructures in a two-dimensional (2D) system, intercalated between mica and graphene. Based on our scanning tunneling spectroscopy data, we provide compelling evidence that these fractals are 2D ice. They grow while they are in material contact with the atmosphere at 20 °C and without significant thermal contact to the ambient. The growth is studied in situ, in real time and space at the nanoscale. We find that the growing 2D ice nanocrystals assume a fractal shape, which is conventionally attributed to Diffusion Limited Aggregation (DLA). However, DLA requires a low mass density mother phase, in contrast to the actual currently present high mass density mother phase. Latent heat effects and consequent transport of heat and molecules are found to be key ingredients for understanding the evolution of the snow (ice) flakes. We conclude that not the local availability of water molecules (DLA), but rather them having the locally required orientation is the key factor for incorporation into the 2D ice nanocrystal. In combination with the transport of latent heat, we attribute the evolution of fractal 2D ice nanocrystals to local temperature dependent rotation limited aggregation. The ice growth occurs under extreme supersaturation, i.e., the conditions closely resemble the natural ones for the growth of complex 2D snow (ice) flakes and we consider our findings crucial for solving the "perennial" snow (ice) flake enigma.

  12. Hysteretic Spin Crossover in Two-Dimensional (2D) Hofmann-Type Coordination Polymers.

    PubMed

    Liu, Wei; Wang, Lu; Su, Yu-Jun; Chen, Yan-Cong; Tucek, Jiri; Zboril, Radek; Ni, Zhao-Ping; Tong, Ming-Liang

    2015-09-08

    Three new two-dimensional (2D) Hofmann-type coordination polymers with general formula [Fe(3-NH2py)2M(CN)4] (3-NH2py = 3-aminopyridine, M = Ni (1), Pd (2), Pt (3)) have been synthesized. Magnetic susceptibility measurements show that they exhibited cooperative spin crossover (SCO) with remarkable hysteretic behaviors. Their hysteresis widths are 25, 37, and 30 K for 1-3, respectively. The single-crystal structure of 1 suggest that the pseudo-octahedral Fe sites are equatorially bridged by [M(CN)4](2-) to form 2D grids and axially coordinated by 3-NH2py ligands. The intermolecular interactions between layers (the offset face-to-face π···π interactions, hydrogen bonds, and weak N(amino)···Ni(II) contacts) together with the covalent bonds bridged by [M(CN)4](2-) units are responsible to the significant cooperativity.

  13. Thermal Conductivity and Thermopower near the 2D Metal-Insulator transition, Final Technical Report

    SciTech Connect

    Sarachik, Myriam P.

    2015-02-20

    STUDIES OF STRONGLY-INTERACTING 2D ELECTRON SYSTEMS – There is a great deal of current interest in the properties of systems in which the interaction between electrons (their potential energy) is large compared to their kinetic energy. We have investigated an apparent, unexpected metal-insulator transition inferred from the behavior of the temperature-dependence of the resistivity; moreover, detailed analysis of the behavior of the magnetoresistance suggests that the electrons’ effective mass diverges, supporting this scenario. Whether this is a true phase transition or crossover behavior has been strenuously debated over the past 20 years. Our measurements have now shown that the thermoelectric power of these 2D materials diverges at a finite density, providing clear evidence that this is, in fact, a phase transition to a new low-density phase which may be a precursor or a direct transition to the long sought-after electronic crystal predicted by Eugene Wigner in 1934.

  14. Simulation of multi-steps thermal transition in 2D spin-crossover nanoparticles

    NASA Astrophysics Data System (ADS)

    Jureschi, Catalin-Maricel; Pottier, Benjamin-Louis; Linares, Jorge; Richard Dahoo, Pierre; Alayli, Yasser; Rotaru, Aurelian

    2016-04-01

    We have used an Ising like model to study the thermal behavior of a 2D spin crossover (SCO) system embedded in a matrix. The interaction parameter between edge SCO molecules and its local environment was included in the standard Ising like model as an additional term. The influence of the system's size and the ratio between the number of edge molecules and the other molecules were also discussed.

  15. Discovery of regulatory molecular events and biomarkers using 2D capillary chromatography and mass spectrometry.

    PubMed

    Powell, David W; Merchant, Michael L; Link, Andrew J

    2006-02-01

    An important component of proteomic research is the high-throughput discovery of novel proteins and protein-protein interactions that control molecular events that contribute to critical cellular functions and human disease. The interactions of proteins are essential for cellular functions. Identifying perturbation of normal cellular protein interactions is vital for understanding the disease process and intervening to control the disease. A second area of proteomics research is the discovery of proteins that will serve as biomarkers for the early detection, diagnosis and drug treatment response for specific diseases. These studies have been referred to as clinical proteomics. To discover biomarkers, proteomics research employs the quantitative comparison of peptide and protein expression in body fluids and tissues from diseased individuals (case) versus normal individuals (control). Methods that couple 2D capillary liquid chromatography (LC) and tandem mass spectrometry (MS/MS) analysis have greatly facilitated this discovery science. Coupling 2D-LC/MS/MS analysis with automated genome-assisted spectra interpretation allows a direct, high-throughput and high-sensitivity identification of thousands of individual proteins from complex biological samples. The systematic comparison of experimental conditions and controls allows protein function or disease states to be modeled. This review discusses the different purification and quantification strategies that have been developed and used in combination with 2D-LC/MS/MS and computational analysis to examine regulatory protein networks and clinical samples.

  16. Rotation invariance principles in 2D/3D registration

    NASA Astrophysics Data System (ADS)

    Birkfellner, Wolfgang; Wirth, Joachim; Burgstaller, Wolfgang; Baumann, Bernard; Staedele, Harald; Hammer, Beat; Gellrich, Niels C.; Jacob, Augustinus L.; Regazzoni, Pietro; Messmer, Peter

    2003-05-01

    2D/3D patient-to-computed tomography (CT) registration is a method to determine a transformation that maps two coordinate systems by comparing a projection image rendered from CT to a real projection image. Applications include exact patient positioning in radiation therapy, calibration of surgical robots, and pose estimation in computer-aided surgery. One of the problems associated with 2D/3D registration is the fast that finding a registration includes sovling a minimization problem in six degrees-of-freedom in motion. This results in considerable time expenses since for each iteration step at least one volume rendering has to be computed. We show that by choosing an appropriate world coordinate system and by applying a 2D/2D registration method in each iteration step, the number of iterations can be grossly reduced from n6 to n5. Here, n is the number of discrete variations aroudn a given coordinate. Depending on the configuration of the optimization algorithm, this reduces the total number of iterations necessary to at least 1/3 of its original value. The method was implemented and extensively tested on simulated x-ray images of a pelvis. We conclude that this hardware-indepenent optimization of 2D/3D registration is a step towards increasing the acceptance of this promising method for a wide number of clinical applications.

  17. 2D nanostructures for water purification: graphene and beyond.

    PubMed

    Dervin, Saoirse; Dionysiou, Dionysios D; Pillai, Suresh C

    2016-08-18

    Owing to their atomically thin structure, large surface area and mechanical strength, 2D nanoporous materials are considered to be suitable alternatives for existing desalination and water purification membrane materials. Recent progress in the development of nanoporous graphene based materials has generated enormous potential for water purification technologies. Progress in the development of nanoporous graphene and graphene oxide (GO) membranes, the mechanism of graphene molecular sieve action, structural design, hydrophilic nature, mechanical strength and antifouling properties and the principal challenges associated with nanopore generation are discussed in detail. Subsequently, the recent applications and performance of newly developed 2D materials such as 2D boron nitride (BN) nanosheets, graphyne, molybdenum disulfide (MoS2), tungsten chalcogenides (WS2) and titanium carbide (Ti3C2Tx) are highlighted. In addition, the challenges affecting 2D nanostructures for water purification are highlighted and their applications in the water purification industry are discussed. Though only a few 2D materials have been explored so far for water treatment applications, this emerging field of research is set to attract a great deal of attention in the near future.

  18. 2D DIGE saturation labeling for minute sample amounts.

    PubMed

    Arnold, Georg J; Fröhlich, Thomas

    2012-01-01

    The 2D DIGE technique, based on fluorophores covalently linked to amino acid side chain residues and the concept of an internal standard, has significantly improved reproducibility, sensitivity, and the dynamic range of protein quantification. In saturation DIGE, sulfhydryl groups of cysteines are labeled with cyanine dyes to completion, providing a so far unraveled sensitivity for protein detection and quantification in 2D gel-based proteomic experiments. Only a few micrograms of protein per 2D gel facilitate the analysis of about 2,000 analytes from complex mammalian cell or tissue samples. As a consequence, 2D saturation DIGE is the method of choice when only minute sample amounts are available for quantitative proteome analysis at the level of proteins rather than peptides. Since very low amounts of samples have to be handled in a reproducible manner, saturation DIGE-based proteomic experiments are technically demanding. Moreover, successful saturation DIGE approaches require a strict adherence to adequate reaction conditions at each step. This chapter is dedicated to colleagues already experienced in 2D PAGE protein separation and intends to support the establishment of this ultrasensitive technique in proteomic workgroups. We provide basic guidelines for the experimental design and discuss crucial aspects concerning labeling chemistry, sample preparation, and pitfalls caused by labeling artifacts. A detailed step-by-step protocol comprises all aspects from initial sample preparation to image analysis and statistical evaluation. Furthermore, we describe the generation of preparative saturation DIGE gels necessary for mass spectrometry-based spot identification.

  19. Mermin–Wagner fluctuations in 2D amorphous solids

    PubMed Central

    Illing, Bernd; Fritschi, Sebastian; Kaiser, Herbert; Klix, Christian L.; Maret, Georg; Keim, Peter

    2017-01-01

    In a recent commentary, J. M. Kosterlitz described how D. Thouless and he got motivated to investigate melting and suprafluidity in two dimensions [Kosterlitz JM (2016) J Phys Condens Matter 28:481001]. It was due to the lack of broken translational symmetry in two dimensions—doubting the existence of 2D crystals—and the first computer simulations foretelling 2D crystals (at least in tiny systems). The lack of broken symmetries proposed by D. Mermin and H. Wagner is caused by long wavelength density fluctuations. Those fluctuations do not only have structural impact, but additionally a dynamical one: They cause the Lindemann criterion to fail in 2D in the sense that the mean squared displacement of atoms is not limited. Comparing experimental data from 3D and 2D amorphous solids with 2D crystals, we disentangle Mermin–Wagner fluctuations from glassy structural relaxations. Furthermore, we demonstrate with computer simulations the logarithmic increase of displacements with system size: Periodicity is not a requirement for Mermin–Wagner fluctuations, which conserve the homogeneity of space on long scales. PMID:28137872

  20. Sparse radar imaging using 2D compressed sensing

    NASA Astrophysics Data System (ADS)

    Hou, Qingkai; Liu, Yang; Chen, Zengping; Su, Shaoying

    2014-10-01

    Radar imaging is an ill-posed linear inverse problem and compressed sensing (CS) has been proved to have tremendous potential in this field. This paper surveys the theory of radar imaging and a conclusion is drawn that the processing of ISAR imaging can be denoted mathematically as a problem of 2D sparse decomposition. Based on CS, we propose a novel measuring strategy for ISAR imaging radar and utilize random sub-sampling in both range and azimuth dimensions, which will reduce the amount of sampling data tremendously. In order to handle 2D reconstructing problem, the ordinary solution is converting the 2D problem into 1D by Kronecker product, which will increase the size of dictionary and computational cost sharply. In this paper, we introduce the 2D-SL0 algorithm into the reconstruction of imaging. It is proved that 2D-SL0 can achieve equivalent result as other 1D reconstructing methods, but the computational complexity and memory usage is reduced significantly. Moreover, we will state the results of simulating experiments and prove the effectiveness and feasibility of our method.

  1. Mean flow and anisotropic cascades in decaying 2D turbulence

    NASA Astrophysics Data System (ADS)

    Liu, Chien-Chia; Cerbus, Rory; Gioia, Gustavo; Chakraborty, Pinaki

    2015-11-01

    Many large-scale atmospheric and oceanic flows are decaying 2D turbulent flows embedded in a non-uniform mean flow. Despite its importance for large-scale weather systems, the affect of non-uniform mean flows on decaying 2D turbulence remains unknown. In the absence of mean flow it is well known that decaying 2D turbulent flows exhibit the enstrophy cascade. More generally, for any 2D turbulent flow, all computational, experimental and field data amassed to date indicate that the spectrum of longitudinal and transverse velocity fluctuations correspond to the same cascade, signifying isotropy of cascades. Here we report experiments on decaying 2D turbulence in soap films with a non-uniform mean flow. We find that the flow transitions from the usual isotropic enstrophy cascade to a series of unusual and, to our knowledge, never before observed or predicted, anisotropic cascades where the longitudinal and transverse spectra are mutually independent. We discuss implications of our results for decaying geophysical turbulence.

  2. 2-D Clinostat for Simulated Microgravity Experiments with Arabidopsis Seedlings

    NASA Astrophysics Data System (ADS)

    Wang, Hui; Li, Xugang; Krause, Lars; Görög, Mark; Schüler, Oliver; Hauslage, Jens; Hemmersbach, Ruth; Kircher, Stefan; Lasok, Hanna; Haser, Thomas; Rapp, Katja; Schmidt, Jürgen; Yu, Xin; Pasternak, Taras; Aubry-Hivet, Dorothée; Tietz, Olaf; Dovzhenko, Alexander; Palme, Klaus; Ditengou, Franck Anicet

    2016-04-01

    Ground-based simulators of microgravity such as fast rotating 2-D clinostats are valuable tools to study gravity related processes. We describe here a versatile g-value-adjustable 2-D clinostat that is suitable for plant analysis. To avoid seedling adaptation to 1 g after clinorotation, we designed chambers that allow rapid fixation. A detailed protocol for fixation, RNA isolation and the analysis of selected genes is described. Using this clinostat we show that mRNA levels of LONG HYPOCOTYL 5 (HY5), MIZU-KUSSEI 1 (MIZ1) and microRNA MIR163 are down-regulated in 5-day-old Arabidopsis thaliana roots after 3 min and 6 min of clinorotation using a maximal reduced g-force of 0.02 g, hence demonstrating that this 2-D clinostat enables the characterization of early transcriptomic events during root response to microgravity. We further show that this 2-D clinostat is able to compensate the action of gravitational force as both gravitropic-dependent statolith sedimentation and subsequent auxin redistribution (monitoring D R5 r e v :: G F P reporter) are abolished when plants are clinorotated. Our results demonstrate that 2-D clinostats equipped with interchangeable growth chambers and tunable rotation velocity are suitable for studying how plants perceive and respond to simulated microgravity.

  3. Atomistic methodologies for material properties of 2D materials at the nanoscale

    NASA Astrophysics Data System (ADS)

    Zhang, Zhen

    Research on two dimensional (2D) materials, such as graphene and MoS2, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology. Due to the extraordinary properties of 2D materials, research extends from fundamental science to novel applications of 2D materials. From an engineering point of view, understanding the material properties of 2D materials under various conditions is crucial for tailoring the electrical and mechanical properties of 2D-material-based devices at the nanoscale. Even at the nanoscale, molecular systems typically consist of a vast number of atoms. Molecular dynamics (MD) simulations enable us to understand the properties of assemblies of molecules in terms of their structure and the microscopic interactions between them. From a continuum approach, mechanical properties and thermal properties, such as strain, stress, and heat capacity, are well defined and experimentally measurable. In MD simulations, material systems are considered to be discrete, and only interatomic potential, interatomic forces, and atom positions are directly obtainable. Besides, most of the fracture mechanics concepts, such as stress intensity factors, are not applicable since there is no singularity in MD simulations. However, energy release rate still remains to be a feasible and crucial physical quantity to characterize the fracture mechanical property of materials at the nanoscale. Therefore, equivalent definition of a physical quantity both in atomic scale and macroscopic scale is necessary in order to understand molecular and continuum scale phenomena concurrently. This work introduces atomistic simulation methodologies, based on interatomic potential and interatomic forces, as a tool to unveil the mechanical properties, thermal properties and fracture mechanical properties of 2D materials at the nanoscale. Among many 2D materials, graphene and MoS2 have attracted intense interest. Therefore, we applied our

  4. A study of a sector spectrophotometer and auroral O+(2P-2D) emissions

    NASA Technical Reports Server (NTRS)

    Swenson, G. R.

    1976-01-01

    The metastable O+(2P-2D) auroral emission was investigated. The neighboring OH contaminants and low intensity levels of the emission itself necessitated the evolution of an instrument capable of separating the emission from the contaminants and having a high sensitivity in the wavelength region of interest. A new type of scanning photometer was developed and its properties are discussed. The theoretical aspects of auroral electron interaction with atomic oxygen and the resultant O+(2P-2D) emissions were examined in conjunction with N2(+)1NEG emissions. Ground based measurements of O+(2P-2D) auroral emission intensities were made using the spatial scanning photometer (sector spectrophotometer). Simultaneous measurements of N2(+)1NEG sub 1,0 emission intensity were made in the same field of view using a tilting photometer. Time histories of the ratio of these two emissions made in the magnetic zenith during auroral breakup periods are given. Theories of I sub 7319/I sub 4278 of previous investigators were presented. A rocket measurement of N2(+)1NEG sub 0,0 and O+(2P-2D) emission in aurora was examined in detail and was found to agree with the ground based measurements. Theoretical examination resulted in the deduction of the electron impact efficiency generating O+(2P) and also suggests a large source of O+(2P) at low altitude. A possible source is charge exchange of N+(1S) with OI(3P).

  5. Highly Omnidirectional and Frequency Controllable Carbon/Polyaniline-based 2D and 3D Monopole Antenna

    PubMed Central

    Shin, Keun-Young; Kim, Minkyu; Lee, James S.; Jang, Jyongsik

    2015-01-01

    Highly omnidirectional and frequency controllable carbon/polyaniline (C/PANI)-based, two- (2D) and three-dimensional (3D) monopole antennas were fabricated using screen-printing and a one-step, dimensionally confined hydrothermal strategy, respectively. Solvated C/PANI was synthesized by low-temperature interfacial polymerization, during which strong π–π interactions between graphene and the quinoid rings of PANI resulted in an expanded PANI conformation with enhanced crystallinity and improved mechanical and electrical properties. Compared to antennas composed of pristine carbon or PANI-based 2D monopole structures, 2D monopole antennas composed of this enhanced hybrid material were highly efficient and amenable to high-frequency, omnidirectional electromagnetic waves. The mean frequency of C/PANI fiber-based 3D monopole antennas could be controlled by simply cutting and stretching the antenna. These antennas attained high peak gain (3.60 dBi), high directivity (3.91 dBi) and radiation efficiency (92.12%) relative to 2D monopole antenna. These improvements were attributed the high packing density and aspect ratios of C/PANI fibers and the removal of the flexible substrate. This approach offers a valuable and promising tool for producing highly omnidirectional and frequency-controllable, carbon-based monopole antennas for use in wireless networking communications on industrial, scientific, and medical (ISM) bands. PMID:26338090

  6. Inspection design using 2D phased array, TFM and cueMAP software

    SciTech Connect

    McGilp, Ailidh; Dziewierz, Jerzy; Lardner, Tim; Mackersie, John; Gachagan, Anthony

    2014-02-18

    A simulation suite, cueMAP, has been developed to facilitate the design of inspection processes and sparse 2D array configurations. At the core of cueMAP is a Total Focusing Method (TFM) imaging algorithm that enables computer assisted design of ultrasonic inspection scenarios, including the design of bespoke array configurations to match the inspection criteria. This in-house developed TFM code allows for interactive evaluation of image quality indicators of ultrasonic imaging performance when utilizing a 2D phased array working in FMC/TFM mode. The cueMAP software uses a series of TFM images to build a map of resolution, contrast and sensitivity of imaging performance of a simulated reflector, swept across the inspection volume. The software takes into account probe properties, wedge or water standoff, and effects of specimen curvature. In the validation process of this new software package, two 2D arrays have been evaluated on 304n stainless steel samples, typical of the primary circuit in nuclear plants. Thick section samples have been inspected using a 1MHz 2D matrix array. Due to the processing efficiency of the software, the data collected from these array configurations has been used to investigate the influence sub-aperture operation on inspection performance.

  7. Experimental studies of spin-imbalanced Fermi gases in 2D geometries

    NASA Astrophysics Data System (ADS)

    Thomas, John

    We study the thermodynamics of a quasi-two-dimensional Fermi gas, which is not quite two-dimensional (2D), but far from three dimensional (3D). This system offers opportunities to test predictions that cross interdisciplinary boundaries, such as enhanced superfluid transition temperatures in spin-imbalanced quasi-2D superconductors, and provides important benchmarks for calculations of the phase diagrams. In the experiments, an ultra-cold Fermi gas is confined in an infrared CO2 laser standing-wave, which produces periodic pancake-shaped potential wells, separated by 5.3 μm. To study the thermodynamics, we load an ultra-cold mixture of N1 = 800 spin 1/2 -up and N2 interaction strength and spin imbalance N2/N1. The measured properties are in disagreement with 2D-BCS theory, but can be fit by a 2D-polaron gas model, where each atom is surrounded by a cloud of particle-hole pairs of the opposite spin. However, this model fails to predict a transition to a spin-balanced central region as N2/N1is increased. Supported by the physics divisions of ARO, AFOSR, and NSF and by the Division of Materials Science and Engineering, the Office of Basic Energy Sciences, DOE.

  8. The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound

    SciTech Connect

    Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.

    2014-10-15

    We report the first quantitative analysis of the structural evolution of a uranyl bearing coordination polymer in response to pressure. The material that is central to this study, (UO{sub 2})(O{sub 3}PCH{sub 2}CO{sub 2}H) (1), is constructed from rigid 2D inorganic layers comprising edge sharing UO{sub 7} pentagonal bipyramids cross-linked by [PO{sub 3}(COOH)]{sup 2−} anions. Strong hydrogen bonding interactions exist between the pendent carboxylic acid groups on adjacent layers. Under pressure, 1 exhibits compressional behaviour primarily in the direction perpendicular to the inorganic layers, which is aided by a reduction in the interlayer distance and shifting of the layers with respect to each other. The bulk modulus for the 2D compound 1 is unexpectedly high [18.1(1) GPa] and is within the range reported for 3D CPs assembled from Zn{sup II} cations and inflexible imidazolate anions, and is at the lower end of the range of moduli observed for aluminosilicate zeolites (19–59 GPa). - Graphical Abstract: The compression mechanism and elastic constants for a 2D Uranium(VI) carboxyphosphonoate compound are reported. - Highlights: • The response to pressure of a uranium carboxyphosphonoate compound has been studied. • High-pressure single-crystal XRD data for this 2D uranium compound were collected. • Elastic constants for this material have been determined. • The compression mechanism for the compound has been elucidated.

  9. Responsive ionic liquid-polymer 2D photonic crystal gas sensors.

    PubMed

    Smith, Natasha L; Hong, Zhenmin; Asher, Sanford A

    2014-12-21

    We developed novel air-stable 2D polymerized photonic crystal (2DPC) sensing materials for visual detection of gas phase analytes such as water and ammonia by utilizing a new ionic liquid, ethylguanidine perchlorate (EGP) as the mobile phase. Because of the negligible ionic liquid vapor pressure these 2DPC sensors are indefinitely air stable and, therefore, can be used to sense atmospheric analytes. 2D arrays of ~640 nm polystyrene nanospheres were attached to the surface of crosslinked poly(hydroxyethyl methacrylate) (pHEMA)-based polymer networks dispersed in EGP. The wavelength of the bright 2D photonic crystal diffraction depends sensitively on the 2D array particle spacing. The volume phase transition response of the EGP-pHEMA system to water vapor or gaseous ammonia changes the 2DPC particle spacing, enabling the visual determination of the analyte concentration. Water absorbed by EGP increases the Flory-Huggins interaction parameter, which shrinks the polymer network and causes a blue shift in the diffracted light. Ammonia absorbed by the EGP deprotonates the pHEMA-co-acrylic acid carboxyl groups, swelling the polymer which red shifts the diffracted light.

  10. Inspection design using 2D phased array, TFM and cueMAP software

    NASA Astrophysics Data System (ADS)

    McGilp, Ailidh; Dziewierz, Jerzy; Lardner, Tim; Mackersie, John; Gachagan, Anthony

    2014-02-01

    A simulation suite, cueMAP, has been developed to facilitate the design of inspection processes and sparse 2D array configurations. At the core of cueMAP is a Total Focusing Method (TFM) imaging algorithm that enables computer assisted design of ultrasonic inspection scenarios, including the design of bespoke array configurations to match the inspection criteria. This in-house developed TFM code allows for interactive evaluation of image quality indicators of ultrasonic imaging performance when utilizing a 2D phased array working in FMC/TFM mode. The cueMAP software uses a series of TFM images to build a map of resolution, contrast and sensitivity of imaging performance of a simulated reflector, swept across the inspection volume. The software takes into account probe properties, wedge or water standoff, and effects of specimen curvature. In the validation process of this new software package, two 2D arrays have been evaluated on 304n stainless steel samples, typical of the primary circuit in nuclear plants. Thick section samples have been inspected using a 1MHz 2D matrix array. Due to the processing efficiency of the software, the data collected from these array configurations has been used to investigate the influence sub-aperture operation on inspection performance.

  11. New applications for the touchscreen in 2D and 3D medical imaging workstations

    NASA Astrophysics Data System (ADS)

    Hinckley, Ken; Goble, John C.; Pausch, Randy; Kassell, Neal F.

    1995-04-01

    We present a new interface technique which augments a 3D user interface based on the physical manipulation of tools, or props, with a touchscreen. This hybrid interface intuitively and seamlessly combines 3D input with more traditional 2D input in the same user interface. Example 2D interface tasks of interest include selecting patient images from a database, browsing through axial, coronal, and sagittal image slices, or adjusting image center and window parameters. Note the facility with which a touchscreen can be used: the surgeon can move in 3D using the props, and then, without having to put the props down, the surgeon can reach out and touch the screen to perform 2D tasks. Based on previous work by Sears, we provide touchscreen users with visual feedback in the form of a small cursor which appears above the finger, allowing targets much smaller than the finger itself to be selected. Based on our informal user observations to date, this touchscreen stabilization algorithm allows targets as small as 1.08 mm X 1.08 mm to be selected by novices, and makes possible selection of targets as small as 0.27 mm X 0.27 mm after some training. Based on implemented prototype systems, we suggest that touchscreens offer not only intuitive 2D input which is well accepted by physicians, but that touchscreens also offer fast and accurate input which blends well with 3D interaction techniques.

  12. A Convective Vorticity Vector Associated With Tropical Convection: A 2D Cloud-Resolving Modeling Study

    NASA Technical Reports Server (NTRS)

    Gao, Shou-Ting; Ping, Fan; Li, Xiao-Fan; Tao, Wei-Kuo

    2004-01-01

    Although dry/moist potential vorticity is a useful physical quantity for meteorological analysis, it cannot be applied to the analysis of 2D simulations. A convective vorticity vector (CVV) is introduced in this study to analyze 2D cloud-resolving simulation data associated with 2D tropical convection. The cloud model is forced by the vertical velocity, zonal wind, horizontal advection, and sea surface temperature obtained from the TOGA COARE, and is integrated for a selected 10-day period. The CVV has zonal and vertical components in the 2D x-z frame. Analysis of zonally-averaged and mass-integrated quantities shows that the correlation coefficient between the vertical component of the CVV and the sum of the cloud hydrometeor mixing ratios is 0.81, whereas the correlation coefficient between the zonal component and the sum of the mixing ratios is only 0.18. This indicates that the vertical component of the CVV is closely associated with tropical convection. The tendency equation for the vertical component of the CVV is derived and the zonally-averaged and mass-integrated tendency budgets are analyzed. The tendency of the vertical component of the CVV is determined by the interaction between the vorticity and the zonal gradient of cloud heating. The results demonstrate that the vertical component of the CVV is a cloud-linked parameter and can be used to study tropical convection.

  13. Highly Omnidirectional and Frequency Controllable Carbon/Polyaniline-based 2D and 3D Monopole Antenna

    NASA Astrophysics Data System (ADS)

    Shin, Keun-Young; Kim, Minkyu; Lee, James S.; Jang, Jyongsik

    2015-09-01

    Highly omnidirectional and frequency controllable carbon/polyaniline (C/PANI)-based, two- (2D) and three-dimensional (3D) monopole antennas were fabricated using screen-printing and a one-step, dimensionally confined hydrothermal strategy, respectively. Solvated C/PANI was synthesized by low-temperature interfacial polymerization, during which strong π-π interactions between graphene and the quinoid rings of PANI resulted in an expanded PANI conformation with enhanced crystallinity and improved mechanical and electrical properties. Compared to antennas composed of pristine carbon or PANI-based 2D monopole structures, 2D monopole antennas composed of this enhanced hybrid material were highly efficient and amenable to high-frequency, omnidirectional electromagnetic waves. The mean frequency of C/PANI fiber-based 3D monopole antennas could be controlled by simply cutting and stretching the antenna. These antennas attained high peak gain (3.60 dBi), high directivity (3.91 dBi) and radiation efficiency (92.12%) relative to 2D monopole antenna. These improvements were attributed the high packing density and aspect ratios of C/PANI fibers and the removal of the flexible substrate. This approach offers a valuable and promising tool for producing highly omnidirectional and frequency-controllable, carbon-based monopole antennas for use in wireless networking communications on industrial, scientific, and medical (ISM) bands.

  14. Highly Omnidirectional and Frequency Controllable Carbon/Polyaniline-based 2D and 3D Monopole Antenna.

    PubMed

    Shin, Keun-Young; Kim, Minkyu; Lee, James S; Jang, Jyongsik

    2015-09-04

    Highly omnidirectional and frequency controllable carbon/polyaniline (C/PANI)-based, two- (2D) and three-dimensional (3D) monopole antennas were fabricated using screen-printing and a one-step, dimensionally confined hydrothermal strategy, respectively. Solvated C/PANI was synthesized by low-temperature interfacial polymerization, during which strong π-π interactions between graphene and the quinoid rings of PANI resulted in an expanded PANI conformation with enhanced crystallinity and improved mechanical and electrical properties. Compared to antennas composed of pristine carbon or PANI-based 2D monopole structures, 2D monopole antennas composed of this enhanced hybrid material were highly efficient and amenable to high-frequency, omnidirectional electromagnetic waves. The mean frequency of C/PANI fiber-based 3D monopole antennas could be controlled by simply cutting and stretching the antenna. These antennas attained high peak gain (3.60 dBi), high directivity (3.91 dBi) and radiation efficiency (92.12%) relative to 2D monopole antenna. These improvements were attributed the high packing density and aspect ratios of C/PANI fibers and the removal of the flexible substrate. This approach offers a valuable and promising tool for producing highly omnidirectional and frequency-controllable, carbon-based monopole antennas for use in wireless networking communications on industrial, scientific, and medical (ISM) bands.

  15. Selective inhibition of the cytochrome P450 isoform by hyperoside and its potent inhibition of CYP2D6.

    PubMed

    Song, Min; Hong, Miri; Lee, Min Young; Jee, Jun-Goo; Lee, You Mie; Bae, Jong-Sup; Jeong, Tae Cheon; Lee, Sangkyu

    2013-09-01

    Hyperoside, quercetin-3-O-galactoside, is a flavonoid isolated from Oenanthe javanica. In the present study, we investigated potential herb-drug inhibitory effects of hyperoside on nine cytochrome P450 (CYP) isoforms in pooled human liver microsomes (HLMs) and human recombinant cDNA expressed CYP using a cocktail probe assay. Hyperoside strongly inhibited CYP2D6-catalyzed dextromethorphan O-demethylation, with IC₅₀ values of 1.2 and 0.81 μM after 0 and 15 min of preincubation, and a Ki value of 2.01 μM in HLMs, respectively. Hyperoside strongly decreased CYP2D6 activity dose-, but not time-, dependently in HLMs. In addition, the Lineweaver-Burk and Secondary plots for the inhibition of CYP2D6 in HLMs fitted a competitive inhibition mode. Furthermore, hyperoside decreased CYP2D6-catalyzed dextromethorphan O-demethylation activity of human recombinant cDNA-expressed CYP2D6, with an IC₅₀ value of 3.87 μM. However, other CYPs were not inhibited significantly by hyperoside. In conclusion, our data demonstrate that hyperoside is a potent selective CYP2D6 inhibitor in HLMs, and suggest that hyperoside might cause herb-drug interactions when co-administrated with CYP2D substrates.

  16. Splashing transients of 2D plasmons launched by swift electrons

    PubMed Central

    Lin, Xiao; Kaminer, Ido; Shi, Xihang; Gao, Fei; Yang, Zhaoju; Gao, Zhen; Buljan, Hrvoje; Joannopoulos, John D.; Soljačić, Marin; Chen, Hongsheng; Zhang, Baile

    2017-01-01

    Launching of plasmons by swift electrons has long been used in electron energy–loss spectroscopy (EELS) to investigate the plasmonic properties of ultrathin, or two-dimensional (2D), electron systems. However, the question of how a swift electron generates plasmons in space and time has never been answered. We address this issue by calculating and demonstrating the spatial-temporal dynamics of 2D plasmon generation in graphene. We predict a jet-like rise of excessive charge concentration that delays the generation of 2D plasmons in EELS, exhibiting an analog to the hydrodynamic Rayleigh jet in a splashing phenomenon before the launching of ripples. The photon radiation, analogous to the splashing sound, accompanies the plasmon emission and can be understood as being shaken off by the Rayleigh jet–like charge concentration. Considering this newly revealed process, we argue that previous estimates on the yields of graphene plasmons in EELS need to be reevaluated. PMID:28138546

  17. Available information in 2D motional Stark effect imaging.

    PubMed

    Creese, Mathew; Howard, John

    2010-10-01

    Recent advances in imaging techniques have allowed the extension of the standard polarimetric 1D motional Stark effect (MSE) diagnostic to 2D imaging of the internal magnetic field of fusion devices [J. Howard, Plasma Phys. Controlled Fusion 50, 125003 (2008)]. This development is met with the challenge of identifying and extracting the new information, which can then be used to increase the accuracy of plasma equilibrium and current density profile determinations. This paper develops a 2D analysis of the projected MSE polarization orientation and Doppler phase shift. It is found that, for a standard viewing position, the 2D MSE imaging system captures sufficient information to allow imaging of the internal vertical magnetic field component B(Z)(r,z) in a tokamak.

  18. Perception-based reversible watermarking for 2D vector maps

    NASA Astrophysics Data System (ADS)

    Men, Chaoguang; Cao, Liujuan; Li, Xiang

    2010-07-01

    This paper presents an effective and reversible watermarking approach for digital copyright protection of 2D-vector maps. To ensure that the embedded watermark is insensitive for human perception, we only select the noise non-sensitive regions for watermark embedding by estimating vertex density within each polyline. To ensure the exact recovery of original 2D-vector map after watermark extraction, we introduce a new reversible watermarking scheme based on reversible high-frequency wavelet coefficients modification. Within the former-selected non-sensitive regions, our watermarking operates on the lower-order vertex coordinate decimals with integer wavelet transform. Such operation further reduces the visual distortion caused by watermark embedding. We have validated the effectiveness of our scheme on our real-world city river/building 2D-vector maps. We give extensive experimental comparisons with state-of-the-art methods, including embedding capability, invisibility, and robustness over watermark attacking.

  19. Microscale 2D separation systems for proteomic analysis

    PubMed Central

    Xu, Xin; Liu, Ke; Fan, Z. Hugh

    2012-01-01

    Microscale 2D separation systems have been implemented in capillaries and microfabricated channels. They offer advantages of faster analysis, higher separation efficiency and less sample consumption than the conventional methods, such as liquid chromatography (LC) in a column and slab gel electrophoresis. In this article, we review their recent advancement, focusing on three types of platforms, including 2D capillary electrophoresis (CE), CE coupling with capillary LC, and microfluidic devices. A variety of CE and LC modes have been employed to construct 2D separation systems via sophistically designed interfaces. Coupling of different separation modes has also been realized in a number of microfluidic devices. These separation systems have been applied for the proteomic analysis of various biological samples, ranging from a single cell to tumor tissues. PMID:22462786

  20. 2D materials for photon conversion and nanophotonics

    NASA Astrophysics Data System (ADS)

    Tahersima, Mohammad H.; Sorger, Volker J.

    2015-09-01

    The field of two-dimensional (2D) materials has the potential to enable unique applications across a wide range of the electromagnetic spectrum. While 2D-layered materials hold promise for next-generation photon-conversion intrinsic limitations and challenges exist that shall be overcome. Here we discuss the intrinsic limitations as well as application opportunities of this new class of materials, and is sponsored by the NSF program Designing Materials to Revolutionize and Engineer our Future (DMREF) program, which links to the President's Materials Genome Initiative. We present general material-related details for photon conversion, and show that taking advantage of the mechanical flexibility of 2D materials by rolling MoS2/graphene/hexagonal boron nitride stack to a spiral solar cell allows for solar absorption up to 90%.

  1. Rapid-scan coherent 2D fluorescence spectroscopy.

    PubMed

    Draeger, Simon; Roeding, Sebastian; Brixner, Tobias

    2017-02-20

    We developed pulse-shaper-assisted coherent two-dimensional (2D) electronic spectroscopy in liquids using fluorescence detection. A customized pulse shaper facilitates shot-to-shot modulation at 1 kHz and is employed for rapid scanning over all time delays. A full 2D spectrum with 15 × 15 pixels is obtained in approximately 6 s of measurement time (plus further averaging if needed). Coherent information is extracted from the incoherent fluorescence signal via 27-step phase cycling. We exemplify the technique on cresyl violet in ethanol and recover literature-known oscillations as a function of population time. Signal-to-noise behavior is analyzed as a function of the amount of averaging. Rapid scanning provides a 2D spectrum with a root-mean-square error of < 0.05 after 1 min of measurement time.

  2. 2D-3D transition of gold cluster anions resolved

    NASA Astrophysics Data System (ADS)

    Johansson, Mikael P.; Lechtken, Anne; Schooss, Detlef; Kappes, Manfred M.; Furche, Filipp

    2008-05-01

    Small gold cluster anions Aun- are known for their unusual two-dimensional (2D) structures, giving rise to properties very different from those of bulk gold. Previous experiments and calculations disagree about the number of gold atoms nc where the transition to 3D structures occurs. We combine trapped ion electron diffraction and state of the art electronic structure calculations to resolve this puzzle and establish nc=12 . It is shown that theoretical studies using traditional generalized gradient functionals are heavily biased towards 2D structures. For a correct prediction of the 2D-3D crossover point it is crucial to use density functionals yielding accurate jellium surface energies, such as the Tao-Perdew-Staroverov-Scuseria (TPSS) functional or the Perdew-Burke-Ernzerhof functional modified for solids (PBEsol). Further, spin-orbit effects have to be included, and large, flexible basis sets employed. This combined theoretical-experimental approach is promising for larger gold and other metal clusters.

  3. IUPAP Award: Ion transport in 2D materials

    NASA Astrophysics Data System (ADS)

    Bao, Wenzhong

    Intercalation in 2D materials drastically influences both physical and chemical properties, which leads to a new degree of freedom for fundamental studies and expands the potential applications of 2D materials. In this talk, I will discuss our work in the past two years related to ion intercalation of 2D materials, including insertion of Li and Na ions in graphene and MoS2. We focused on both fundamental mechanism and potential application, e.g. we measured in-situ optical transmittance spectra and electrical transport properties of few-layer graphene (FLG) nanostructures upon electrochemical lithiation/delithiation. By observing a simultaneous increase of both optical transmittance and DC conductivity, strikingly different from other materials, we proposed its application as a next generation transparent electrode.

  4. 2d-retrieval For Mipas-envisat

    NASA Astrophysics Data System (ADS)

    Steck, T.; von Clarmann, T.; Grabowski, U.; Höpfner, M.

    Limb sounding of the Earth's atmosphere provides vertically high resolved profiles of geophysical parameters. The long ray path through the atmosphere makes limb sounders sensitive to even little abundant species. On the other hand, horizontal in- homogeneities, if not taken into account properly, can cause systematic errors within the retrieval process. Especially for limb emission measurements in the mid IR, at- mopheric temperature gradients result in considerable vmr retrieval errors if they are neglected. We present a dedicated method of taking full 2D fields of state parameters (indepen- dent of tangent points) into account in the forward model and in the retrieval. The basic idea is that the 2D state vector is updated sequentially for each limb scan. This method is applied to the 2D retrieval of temperature and vmr for simulated radiances as expected from MIPAS-ENVISAT.

  5. Graphene based 2D-materials for supercapacitors

    NASA Astrophysics Data System (ADS)

    Palaniselvam, Thangavelu; Baek, Jong-Beom

    2015-09-01

    Ever-increasing energy demands and the depletion of fossil fuels are compelling humanity toward the development of suitable electrochemical energy conversion and storage devices to attain a more sustainable society with adequate renewable energy and zero environmental pollution. In this regard, supercapacitors are being contemplated as potential energy storage devices to afford cleaner, environmentally friendly energy. Recently, a great deal of attention has been paid to two-dimensional (2D) nanomaterials, including 2D graphene and its inorganic analogues (transition metal double layer hydroxides, chalcogenides, etc), as potential electrodes for the development of supercapacitors with high electrochemical performance. This review provides an overview of the recent progress in using these graphene-based 2D materials as potential electrodes for supercapacitors. In addition, future research trends including notable challenges and opportunities are also discussed.

  6. Chemical vapour deposition: Transition metal carbides go 2D

    DOE PAGES

    Gogotsi, Yury

    2015-08-17

    Here, the research community has been steadily expanding the family of few-atom-thick crystals beyond graphene, discovering new materials or producing known materials in a 2D state and demonstrating their unique properties1, 2. Recently, nanometre-thin 2D transition metal carbides have also joined this family3. Writing in Nature Materials, Chuan Xu and colleagues now report a significant advance in the field, showing the synthesis of large-area, high-quality, nanometre-thin crystals of molybdenum carbide that demonstrate low-temperature 2D superconductivity4. Moreover, they also show that other ultrathin carbide crystals, such as tungsten and tantalum carbides, can be grown by chemical vapour deposition with a highmore » crystallinity and very low defect concentration.« less

  7. Optoelectronics based on 2D TMDs and heterostructures

    NASA Astrophysics Data System (ADS)

    Huo, Nengjie; Yang, Yujue; Li, Jingbo

    2017-03-01

    2D materials including graphene and TMDs have proven interesting physical properties and promising optoelectronic applications. We reviewed the growth, characterization and optoelectronics based on 2D TMDs and their heterostructures, and demonstrated their unique and high quality of performances. For example, we observed the large mobility, fast response and high photo-responsivity in MoS2, WS2 and WSe2 phototransistors, as well as the novel performances in vdW heterostructures such as the strong interlayer coupling, am-bipolar and rectifying behaviour, and the obvious photovoltaic effect. It is being possible that 2D family materials could play an increasingly important role in the future nano- and opto-electronics, more even than traditional semiconductors such as silicon.

  8. Applications of Doppler Tomography in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Richards, M.; Budaj, J.; Agafonov, M.; Sharova, O.

    2010-12-01

    Over the past few years, the applications of Doppler tomography have been extended beyond the usual calculation of 2D velocity images of circumstellar gas flows. This technique has now been used with the new Shellspec spectrum synthesis code to demonstrate the effective modeling of the accretion disk and gas stream in the TT Hya Algol binary. The 2D tomography procedure projects all sources of emission onto a single central (Vx, Vy) velocity plane even though the gas is expected to flow beyond that plane. So, new 3D velocity images were derived with the Radioastronomical Approach method by assuming a grid of Vz values transverse to the central 2D plane. The 3D approach has been applied to the U CrB and RS Vul Algol-type binaries to reveal substantial flow structures beyond the central velocity plane.

  9. Chemical vapour deposition: Transition metal carbides go 2D

    SciTech Connect

    Gogotsi, Yury

    2015-08-17

    Here, the research community has been steadily expanding the family of few-atom-thick crystals beyond graphene, discovering new materials or producing known materials in a 2D state and demonstrating their unique properties1, 2. Recently, nanometre-thin 2D transition metal carbides have also joined this family3. Writing in Nature Materials, Chuan Xu and colleagues now report a significant advance in the field, showing the synthesis of large-area, high-quality, nanometre-thin crystals of molybdenum carbide that demonstrate low-temperature 2D superconductivity4. Moreover, they also show that other ultrathin carbide crystals, such as tungsten and tantalum carbides, can be grown by chemical vapour deposition with a high crystallinity and very low defect concentration.

  10. Real-time 2-D temperature imaging using ultrasound.

    PubMed

    Liu, Dalong; Ebbini, Emad S

    2010-01-01

    We have previously introduced methods for noninvasive estimation of temperature change using diagnostic ultrasound. The basic principle was validated both in vitro and in vivo by several groups worldwide. Some limitations remain, however, that have prevented these methods from being adopted in monitoring and guidance of minimally invasive thermal therapies, e.g., RF ablation and high-intensity-focused ultrasound (HIFU). In this letter, we present first results from a real-time system for 2-D imaging of temperature change using pulse-echo ultrasound. The front end of the system is a commercially available scanner equipped with a research interface, which allows the control of imaging sequence and access to the RF data in real time. A high-frame-rate 2-D RF acquisition mode, M2D, is used to capture the transients of tissue motion/deformations in response to pulsed HIFU. The M2D RF data is streamlined to the back end of the system, where a 2-D temperature imaging algorithm based on speckle tracking is implemented on a graphics processing unit. The real-time images of temperature change are computed on the same spatial and temporal grid of the M2D RF data, i.e., no decimation. Verification of the algorithm was performed by monitoring localized HIFU-induced heating of a tissue-mimicking elastography phantom. These results clearly demonstrate the repeatability and sensitivity of the algorithm. Furthermore, we present in vitro results demonstrating the possible use of this algorithm for imaging changes in tissue parameters due to HIFU-induced lesions. These results clearly demonstrate the value of the real-time data streaming and processing in monitoring, and guidance of minimally invasive thermotherapy.

  11. Towards functional assembly of 3D and 2D nanomaterials

    NASA Astrophysics Data System (ADS)

    Jacobs, Christopher B.; Wang, Kai; Ievlev, Anton V.; Muckley, Eric S.; Ivanov, Ilia N.

    2016-09-01

    Functional assemblies of materials can be realized by tuning the work function and band gap of nanomaterials by rational material selection and design. Here we demonstrate the structural assembly of 2D and 3D nanomaterials and show that layering a 2D material monolayer on a 3D metal oxide leads to substantial alteration of both the surface potential and optical properties of the 3D material. A 40 nm thick film of polycrystalline NiO was produced by room temperature rf-sputtering, resulting in a 3D nanoparticle assembly. Chemical vapor deposition (CVD) grown 10-30 μm WS2 flakes (2D material) were placed on the NiO surface using a PDMS stamp transfer technique. The 2D/3D WS2/NiO assembly was characterized using confocal micro Raman spectroscopy to evaluate the vibrational properties and using Kelvin probe force microscopy (KPFM) to evaluate the surface potential. Raman maps of the 2D/3D assembly show spatial non-uniformity of the A1g mode ( 418 cm-1) and the disorder-enhanced longitudinal acoustic mode, 2LA(M) ( 350 cm-1), suggesting that the WS2 exists in a strained condition on when transferred onto 3D polycrystalline NiO. KPFM measurements show that single layer WS2 on SiO2 has a surface potential 75 mV lower than that of SiO2, whereas the surface potential of WS2 on NiO is 15 mV higher than NiO, indicating that WS2 could act as electron donor or acceptor depending on the 3D material it is interfaced with. Thus 2D and 3D materials can be organized into functional assemblies with electron flow controlled by the WS2 either as the electron donor or acceptor.

  12. Laboratory Experiments On Continually Forced 2d Turbulence

    NASA Astrophysics Data System (ADS)

    Wells, M. G.; Clercx, H. J. H.; Van Heijst, G. J. F.

    There has been much recent interest in the advection of tracers by 2D turbulence in geophysical flows. While there is a large body of literature on decaying 2D turbulence or forced 2D turbulence in unbounded domains, there have been very few studies of forced turbulence in bounded domains. In this study we present new experimental results from a continuously forced quasi 2D turbulent field. The experiments are performed in a square Perspex tank filled with water. The flow is made quasi 2D by a steady background rotation. The rotation rate of the tank has a small (<8 %) sinusoidal perturbation which leads to the periodic formation of eddies in the corners of the tank. When the oscillation period of the perturbation is greater than an eddy roll-up time-scale, dipole structures are observed to form. The dipoles can migrate away from the walls, and the interior of the tank is continually filled with vortexs. From experimental visualizations the length scale of the vortexs appears to be largely controlled by the initial formation mechanism and large scale structures are not observed to form at large times. Thus the experiments provide a simple way of cre- ating a continuously forced 2D turbulent field. The resulting structures are in contrast with most previous laboratory experiments on 2D turbulence which have investigated decaying turbulence and have observed the formations of large scale structure. In these experiments, decaying turbulence had been produced by a variety of methods such as the decaying turbulence in the wake of a comb of rods (Massen et al 1999), organiza- tion of vortices in thin conducting liquids (Cardoso et al 1994) or in rotating systems where there are sudden changes in angular rotation rate (Konijnenberg et al 1998). Results of dye visualizations, particle tracking experiments and a direct numerical simulation will be presented and discussed in terms of their oceanographic application. Bibliography Cardoso,O. Marteau, D. &Tabeling, P

  13. 2dF grows up: Echidna for the AAT

    NASA Astrophysics Data System (ADS)

    McGrath, Andrew; Barden, Sam; Miziarski, Stan; Rambold, William; Smith, Greg

    2008-07-01

    We present the concept design of a new fibre positioner and spectrograph system for the Anglo-Australian Telescope, as a proposed enhancement to the Anglo-Australian Observatory's well-known 2dF facility. A four-fold multiplex enhancement is accomplished by replacing the 400-fibre 2dF fibre positioning robot with a 1600-fibre Echidna unit, feeding three clones of the AAOmega optical spectrograph. Such a facility has the capability of a redshift 1 survey of a large fraction of the southern sky, collecting five to ten thousand spectra per night for a million-galaxy survey.

  14. Noninvasive deep Raman detection with 2D correlation analysis

    NASA Astrophysics Data System (ADS)

    Kim, Hyung Min; Park, Hyo Sun; Cho, Youngho; Jin, Seung Min; Lee, Kang Taek; Jung, Young Mee; Suh, Yung Doug

    2014-07-01

    The detection of poisonous chemicals enclosed in daily necessaries is prerequisite essential for homeland security with the increasing threat of terrorism. For the detection of toxic chemicals, we combined a sensitive deep Raman spectroscopic method with 2D correlation analysis. We obtained the Raman spectra from concealed chemicals employing spatially offset Raman spectroscopy in which incident line-shaped light experiences multiple scatterings before being delivered to inner component and yielding deep Raman signal. Furthermore, we restored the pure Raman spectrum of each component using 2D correlation spectroscopic analysis with chemical inspection. Using this method, we could elucidate subsurface component under thick powder and packed contents in a bottle.

  15. Evaluation of 2D ceramic matrix composites in aeroconvective environments

    NASA Technical Reports Server (NTRS)

    Riccitiello, Salvatore R.; Love, Wendell L.; Balter-Peterson, Aliza

    1992-01-01

    An evaluation is conducted of a novel ceramic-matrix composite (CMC) material system for use in the aeroconvective-heating environments encountered by the nose caps and wing leading edges of such aerospace vehicles as the Space Shuttle, during orbit-insertion and reentry from LEO. These CMCs are composed of an SiC matrix that is reinforced with Nicalon, Nextel, or carbon refractory fibers in a 2D architecture. The test program conducted for the 2D CMCs gave attention to their subsurface oxidation.

  16. Radiative heat transfer in 2D Dirac materials.

    PubMed

    Rodriguez-López, Pablo; Tse, Wang-Kong; Dalvit, Diego A R

    2015-06-03

    We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. Finally, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials.

  17. Quantum process tomography by 2D fluorescence spectroscopy

    SciTech Connect

    Pachón, Leonardo A.; Marcus, Andrew H.; Aspuru-Guzik, Alán

    2015-06-07

    Reconstruction of the dynamics (quantum process tomography) of the single-exciton manifold in energy transfer systems is proposed here on the basis of two-dimensional fluorescence spectroscopy (2D-FS) with phase-modulation. The quantum-process-tomography protocol introduced here benefits from, e.g., the sensitivity enhancement ascribed to 2D-FS. Although the isotropically averaged spectroscopic signals depend on the quantum yield parameter Γ of the doubly excited-exciton manifold, it is shown that the reconstruction of the dynamics is insensitive to this parameter. Applications to foundational and applied problems, as well as further extensions, are discussed.

  18. Radiative heat transfer in 2D Dirac materials

    DOE PAGES

    Rodriguez-López, Pablo; Tse, Wang -Kong; Dalvit, Diego A. R.

    2015-05-12

    We compute the radiative heat transfer between two sheets of 2D Dirac materials, including topological Chern insulators and graphene, within the framework of the local approximation for the optical response of these materials. In this approximation, which neglects spatial dispersion, we derive both numerically and analytically the short-distance asymptotic of the near-field heat transfer in these systems, and show that it scales as the inverse of the distance between the two sheets. In conclusion, we discuss the limitations to the validity of this scaling law imposed by spatial dispersion in 2D Dirac materials.

  19. Experimental validation of equations for 2D DIC uncertainty quantification.

    SciTech Connect

    Reu, Phillip L.; Miller, Timothy J.

    2010-03-01

    Uncertainty quantification (UQ) equations have been derived for predicting matching uncertainty in two-dimensional image correlation a priori. These equations include terms that represent the image noise and image contrast. Researchers at the University of South Carolina have extended previous 1D work to calculate matching errors in 2D. These 2D equations have been coded into a Sandia National Laboratories UQ software package to predict the uncertainty for DIC images. This paper presents those equations and the resulting error surfaces for trial speckle images. Comparison of the UQ results with experimentally subpixel-shifted images is also discussed.

  20. Scale Invariance in 2D BCS-BEC Crossover

    NASA Astrophysics Data System (ADS)

    Sensarma, Rajdeep; Taylor, Edward; Randeria, Mohit

    2013-03-01

    In 2D BCS-BEC crossover, the frequency of the breathing mode in a harmonic trap, as well as the lower edge of the radio frequency spectroscopy response, show remarkable scale-invariance throughout the crossover regime, i.e. they are independent of the coupling constant. Using functional integral methods, we study the behaviour of these quantities in the 2D BCS-BEC crossover and comment on the possible reasons for this scale independence. RS was supported by DAE, Govt. of India. MR was supported by NSF Grant No. DMR-1006532. ET was supported by NSERC and the Canadian Institute for Advanced Research.

  1. Closed-shell and open-shell 2D nanographenes.

    PubMed

    Sun, Zhe; Wu, Jishan

    2014-01-01

    This chapter describes a series of two-dimensional (2D) expanded arene networks, also known as nanographenes, with either closed-shell or open-shell electronic structure in the ground state. These systems are further categorized into three classes on a basis of different edge structures: those with zigzag edges only, those with armchair edges only, and those possessing both. Distinctive physical properties of these 2D aromatic systems are closely related to their structural characteristics and provide great potential for them as materials for different applications.

  2. 2D Log-Gabor Wavelet Based Action Recognition

    NASA Astrophysics Data System (ADS)

    Li, Ning; Xu, De

    The frequency response of log-Gabor function matches well the frequency response of primate visual neurons. In this letter, motion-salient regions are extracted based on the 2D log-Gabor wavelet transform of the spatio-temporal form of actions. A supervised classification technique is then used to classify the actions. The proposed method is robust to the irregular segmentation of actors. Moreover, the 2D log-Gabor wavelet permits more compact representation of actions than the recent neurobiological models using Gabor wavelet.

  3. A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

    NASA Astrophysics Data System (ADS)

    Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

    2007-09-01

    This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it

  4. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction.

    PubMed

    Rowley-Neale, Samuel J; Fearn, Jamie M; Brownson, Dale A C; Smith, Graham C; Ji, Xiaobo; Banks, Craig E

    2016-08-21

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm(-2) modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR.

  5. A survey among Brazilian thoracic surgeons about the use of preoperative 2D and 3D images

    PubMed Central

    Cipriano, Federico Enrique Garcia; Arcêncio, Livia; Dessotte, Lycio Umeda; Rodrigues, Alfredo José; Vicente, Walter Villela de Andrade

    2016-01-01

    Background Describe the characteristics of how the thoracic surgeon uses the 2D/3D medical imaging to perform surgical planning, clinical practice and teaching in thoracic surgery and check the initial choice and the final choice of the Brazilian Thoracic surgeon as the 2D and 3D models pictures before and after acquiring theoretical knowledge on the generation, manipulation and interactive 3D views. Methods A descriptive research type Survey cross to data provided by the Brazilian Thoracic Surgeons (members of the Brazilian Society of Thoracic Surgery) who responded to the online questionnaire via the internet on their computers or personal devices. Results Of the 395 invitations visualized distributed by email, 107 surgeons completed the survey. There was no statically difference when comparing the 2D vs. 3D models pictures for the following purposes: diagnosis, assessment of the extent of disease, preoperative surgical planning, and communication among physicians, resident training, and undergraduate medical education. Regarding the type of tomographic image display routinely used in clinical practice (2D or 3D or 2D–3D model image) and the one preferred by the surgeon at the end of the questionnaire. Answers surgeons for exclusive use of 2D images: initial choice =50.47% and preferably end =14.02%. Responses surgeons to use 3D models in combination with 2D images: initial choice =48.60% and preferably end =85.05%. There was a significant change in the final selection of 3D models used together with the 2D images (P<0.0001). Conclusions There is a lack of knowledge of the 3D imaging, as well as the use and interactive manipulation in dedicated 3D applications, with consequent lack of uniformity in the surgical planning based on CT images. These findings certainly confirm in changing the preference of thoracic surgeons of 2D views of technologies for 3D images. PMID:27621874

  6. CMT2D neuropathy is linked to the neomorphic binding activity of glycyl-tRNA synthetase

    PubMed Central

    He, Weiwei; Bai, Ge; Zhou, Huihao; Wei, Na; White, Nicholas M.; Lauer, Janelle; Liu, Huaqing; Shi, Yi; Dumitru, Calin Dan; Lettieri, Karen; Shubayev, Veronica; Jordanova, Albena; Guergueltcheva, Velina; Griffin, Patrick R.; Burgess, Robert W.; Pfaff, Samuel L.; Yang, Xiang-Lei

    2015-01-01

    Summary Selective neuronal loss is a hallmark of neurodegenerative diseases, which counter-intuitively are often caused by mutations in widely-expressed genes1. Charcot-Marie-Tooth (CMT) diseases are the most common hereditary peripheral neuropathies, for which there are no effective therapies2,3. A subtype of the diseases—CMT2D—is caused by dominant mutations in GARS, encoding the ubiquitously expressed enzyme glycyl-tRNA synthetase (GlyRS). Despite the broad requirement of GlyRS for protein biosynthesis in all cells, mutations in this gene cause a selective degeneration of peripheral axons leading to deficits in distal motor function4. How mutations in GlyRS (GlyRSCMT2D) are linked to motor neuron vulnerability has remained elusive. Here we report that GlyRSCMT2D acquires a neomorphic binding activity that directly antagonizes an essential signaling pathway for motor neuron survival. We find that CMT2D mutations alter the conformation of GlyRS, enabling GlyRSCMT2D to bind the Neuropilin 1 (Nrp1) receptor. This aberrant interaction competitively interferes with the binding of the cognate ligand vascular endothelial growth factor (VEGF) to Nrp1. Genetic reduction of Nrp1 in mice worsens CMT2D symptoms, whereas enhanced expression of VEGF improves motor function. These findings link the selective pathology of CMT2D to the neomorphic binding activity of GlyRSCMT2D that antagonizes the VEGF/Nrp1 interaction, and indicate the VEGF/Nrp1 signaling axis is an actionable target for treating CMT2D. PMID:26503042

  7. A preliminary 3D model for cytochrome P450 2D6 constructed by homology model building.

    PubMed

    Koymans, L M; Vermeulen, N P; Baarslag, A; Donné-Op den Kelder, G M

    1993-06-01

    A homology model building study of cytochrome P450 2D6 has been carried out based on the crystal structure of cytochrome P450 101. The primary sequences of P450 101 and P450 2D6 were aligned by making use of an automated alignment procedure. This alignment was adjusted manually by matching alpha-helices (C, D, G, I, J, K and L) and beta-sheets (beta 3/beta 4) of P450 101 that are proposed to be conserved in membrane-bound P450s (Ouzounis and Melvin [Eur. J. Biochem., 198 (1991) 307]) to the corresponding regions in the primary amino acid sequence of P450 2D6. Furthermore, alpha-helices B, B' and F were found to be conserved in P450 2D6. No significant homology between the remaining regions of P450 101 and P450 2D6 could be found and these regions were therefore deleted. A 3D model of P450 2D6 was constructed by copying the coordinates of the residues from the crystal structure of P450 101 to the corresponding residues in P450 2D6. The regions without a significant homology with P450 101 were not incorporated into the model. After energy-minimization of the resulting 3D model of P450 2D6, possible active site residues were identified by fitting the substrates debrisoquine and dextrometorphan into the proposed active site. Both substrates could be positioned into a planar pocket near the heme region formed by residues Val370, Pro371, Leu372, Trp316, and part of the oxygen binding site of P450 2D6. Furthermore, the carboxylate group of either Asp100 or Asp301 was identified as a possible candidate for the proposed interaction with basic nitrogen atom(s) of the substrates.(ABSTRACT TRUNCATED AT 250 WORDS)

  8. Automatic pose initialization for accurate 2D/3D registration applied to abdominal aortic aneurysm endovascular repair

    NASA Astrophysics Data System (ADS)

    Miao, Shun; Lucas, Joseph; Liao, Rui

    2012-02-01

    Minimally invasive abdominal aortic aneurysm (AAA) stenting can be greatly facilitated by overlaying the preoperative 3-D model of the abdominal aorta onto the intra-operative 2-D X-ray images. Accurate 2-D/3-D registration in 3-D space makes the 2-D/3-D overlay robust to the change of C-Arm angulations. By far, the 2-D/3-D registration methods based on simulated X-ray projection images using multiple image planes have been shown to be able to provide satisfactory 3-D registration accuracy. However, one drawback of the intensity-based 2-D/3-D registration methods is that the similarity measure is usually highly non-convex and hence the optimizer can easily be trapped into local minima. User interaction therefore is often needed in the initialization of the position of the 3-D model in order to get a successful 2-D/3-D registration. In this paper, a novel 3-D pose initialization technique is proposed, as an extension of our previously proposed bi-plane 2-D/3-D registration method for AAA intervention [4]. The proposed method detects vessel bifurcation points and spine centerline in both 2-D and 3-D images, and utilizes landmark information to bring the 3-D volume into a 15mm capture range. The proposed landmark detection method was validated on real dataset, and is shown to be able to provide a good initialization for 2-D/3-D registration in [4], thus making the workflow fully automatic.

  9. Advances in 2D boron nitride nanostructures: nanosheets, nanoribbons, nanomeshes, and hybrids with graphene

    NASA Astrophysics Data System (ADS)

    Lin, Yi; Connell, John W.

    2012-10-01

    The recent surge in graphene research has stimulated interest in the investigation of various 2-dimensional (2D) nanomaterials. Among these materials, the 2D boron nitride (BN) nanostructures are in a unique position. This is because they are the isoelectric analogs to graphene structures and share very similar structural characteristics and many physical properties except for the large band gap. The main forms of the 2D BN nanostructures include nanosheets (BNNSs), nanoribbons (BNNRs), and nanomeshes (BNNMs). BNNRs are essentially BNNSs with narrow widths in which the edge effects become significant; BNNMs are also variations of BNNSs, which are supported on certain metal substrates where strong interactions and the lattice mismatch between the substrate and the nanosheet result in periodic shallow regions on the nanosheet surface. Recently, the hybrids of 2D BN nanostructures with graphene, in the form of either in-plane hybrids or inter-plane heterolayers, have also drawn much attention. In particular, the BNNS-graphene heterolayer architectures are finding important electronic applications as BNNSs may serve as excellent dielectric substrates or separation layers for graphene electronic devices. In this article, we first discuss the structural basics, spectroscopic signatures, and physical properties of the 2D BN nanostructures. Then, various top-down and bottom-up preparation methodologies are reviewed in detail. Several sections are dedicated to the preparation of BNNRs, BNNMs, and BNNS-graphene hybrids, respectively. Following some more discussions on the applications of these unique materials, the article is concluded with a summary and perspectives of this exciting new field.

  10. Advances in 2D boron nitride nanostructures: nanosheets, nanoribbons, nanomeshes, and hybrids with graphene.

    PubMed

    Lin, Yi; Connell, John W

    2012-11-21

    The recent surge in graphene research has stimulated interest in the investigation of various 2-dimensional (2D) nanomaterials. Among these materials, the 2D boron nitride (BN) nanostructures are in a unique position. This is because they are the isoelectric analogs to graphene structures and share very similar structural characteristics and many physical properties except for the large band gap. The main forms of the 2D BN nanostructures include nanosheets (BNNSs), nanoribbons (BNNRs), and nanomeshes (BNNMs). BNNRs are essentially BNNSs with narrow widths in which the edge effects become significant; BNNMs are also variations of BNNSs, which are supported on certain metal substrates where strong interactions and the lattice mismatch between the substrate and the nanosheet result in periodic shallow regions on the nanosheet surface. Recently, the hybrids of 2D BN nanostructures with graphene, in the form of either in-plane hybrids or inter-plane heterolayers, have also drawn much attention. In particular, the BNNS-graphene heterolayer architectures are finding important electronic applications as BNNSs may serve as excellent dielectric substrates or separation layers for graphene electronic devices. In this article, we first discuss the structural basics, spectroscopic signatures, and physical properties of the 2D BN nanostructures. Then, various top-down and bottom-up preparation methodologies are reviewed in detail. Several sections are dedicated to the preparation of BNNRs, BNNMs, and BNNS-graphene hybrids, respectively. Following some more discussions on the applications of these unique materials, the article is concluded with a summary and perspectives of this exciting new field.

  11. Discrepant Results in a 2-D Marble Collision

    ERIC Educational Resources Information Center

    Kalajian, Peter

    2013-01-01

    Video analysis of 2-D collisions is an excellent way to investigate conservation of linear momentum. The often-desired experimental design goal is to minimize the momentum loss in order to demonstrate the conservation law. An air table with colliding pucks is an ideal medium for this experiment, but such equipment is beyond the budget of many…

  12. 2-D Finite Element Cable and Box IEMP Analysis

    SciTech Connect

    Scivner, G.J.; Turner, C.D.

    1998-12-17

    A 2-D finite element code has been developed for the solution of arbitrary geometry cable SGEMP and box IEMP problems. The quasi- static electric field equations with radiation- induced charge deposition and radiation-induced conductivity y are numerically solved on a triangular mesh. Multiple regions of different dielectric materials and multiple conductors are permitted.

  13. 2D Orthogonal Locality Preserving Projection for Image Denoising.

    PubMed

    Shikkenawis, Gitam; Mitra, Suman K

    2016-01-01

    Sparse representations using transform-domain techniques are widely used for better interpretation of the raw data. Orthogonal locality preserving projection (OLPP) is a linear technique that tries to preserve local structure of data in the transform domain as well. Vectorized nature of OLPP requires high-dimensional data to be converted to vector format, hence may lose spatial neighborhood information of raw data. On the other hand, processing 2D data directly, not only preserves spatial information, but also improves the computational efficiency considerably. The 2D OLPP is expected to learn the transformation from 2D data itself. This paper derives mathematical foundation for 2D OLPP. The proposed technique is used for image denoising task. Recent state-of-the-art approaches for image denoising work on two major hypotheses, i.e., non-local self-similarity and sparse linear approximations of the data. Locality preserving nature of the proposed approach automatically takes care of self-similarity present in the image while inferring sparse basis. A global basis is adequate for the entire image. The proposed approach outperforms several state-of-the-art image denoising approaches for gray-scale, color, and texture images.

  14. 2D signature for detection and identification of drugs

    NASA Astrophysics Data System (ADS)

    Trofimov, Vyacheslav A.; Varentsova, Svetlana A.; Shen, Jingling; Zhang, Cunlin; Zhou, Qingli; Shi, Yulei

    2011-06-01

    The method of spectral dynamics analysis (SDA-method) is used for obtaining the2D THz signature of drugs. This signature is used for the detection and identification of drugs with similar Fourier spectra by transmitted THz signal. We discuss the efficiency of SDA method for the identification problem of pure methamphetamine (MA), methylenedioxyamphetamine (MDA), 3, 4-methylenedioxymethamphetamine (MDMA) and Ketamine.

  15. Development of a MEMS 2D separations device

    NASA Astrophysics Data System (ADS)

    Bloschock, Kristen P.; Flyer, Jonathan N.; Schneider, Thomas W.; Hussam, Abul; Van Keuren, Edward R.

    2004-12-01

    A polymer based biochip for rapid 2D separations of peptides, proteins, and other biomedically relevant molecules was designed and fabricated. Like traditional 2D polyacrylamide gel electrophoresis (2D-PAGE) methods, the device will allow molecules to separate based on isoelectric point (pI) and molecular weight (MW). Our design, however, integrates both an initial capillary isoelectric focusing (cIEF) step followed by capillary electrophoresis (CE) in multiple parallel channels, all on a single microfluidic chip. Not only is the "lab-on-a-chip" design easier to use and less expensive, but the miniaturization of the device produces very rapid separations. Compared to traditional 2D-PAGE, which can take hours to complete, we estimate separation times on the order of seconds. Fluorescence detection will be used in the preliminary stages of testing, but the device also is equipped with integrated electrodes in the electrophoresis channels to perform multiplexed electrochemical detection for quantitative analysis. We will present preliminary results of the chip development and testing.

  16. The 2dF Galaxy Redshift Survey: Preliminary Results

    NASA Astrophysics Data System (ADS)

    Maddox, Steve; 2DF Galaxy Redshift Survey Team; Bland-Hawthorn, Joss; Cannon, Russell; Cole, Shaun; Colless, Matthew; Collins, Chris; Couch, Warrick; Dalton, Gavin; Driver, Simon; Ellis, Richard; Efstathiou, George; Folkes, Simon; Frenk, Carlos; Glazebrook, Karl; Kaiser, Nick; Lahav, Ofer; Lumsden, Stuart; Peterson, Bruce; Peacock, John; Sutherland, Will; Taylor, Keith

    Spectroscopic observations for a new survey of 250 000 galaxy redshifts are underway, using the 2dF instrument at the AAT. The input galaxy catalogue and commissioning data are described. The first result from the preliminary data is a new estimate of the galaxy luminosity function at = 0.1.

  17. ELLIPT2D: A Flexible Finite Element Code Written Python

    SciTech Connect

    Pletzer, A.; Mollis, J.C.

    2001-03-22

    The use of the Python scripting language for scientific applications and in particular to solve partial differential equations is explored. It is shown that Python's rich data structure and object-oriented features can be exploited to write programs that are not only significantly more concise than their counter parts written in Fortran, C or C++, but are also numerically efficient. To illustrate this, a two-dimensional finite element code (ELLIPT2D) has been written. ELLIPT2D provides a flexible and easy-to-use framework for solving a large class of second-order elliptic problems. The program allows for structured or unstructured meshes. All functions defining the elliptic operator are user supplied and so are the boundary conditions, which can be of Dirichlet, Neumann or Robbins type. ELLIPT2D makes extensive use of dictionaries (hash tables) as a way to represent sparse matrices.Other key features of the Python language that have been widely used include: operator over loading, error handling, array slicing, and the Tkinter module for building graphical use interfaces. As an example of the utility of ELLIPT2D, a nonlinear solution of the Grad-Shafranov equation is computed using a Newton iterative scheme. A second application focuses on a solution of the toroidal Laplace equation coupled to a magnetohydrodynamic stability code, a problem arising in the context of magnetic fusion research.

  18. Rheological Properties of Quasi-2D Fluids in Microgravity

    NASA Technical Reports Server (NTRS)

    Stannarius, Ralf; Trittel, Torsten; Eremin, Alexey; Harth, Kirsten; Clark, Noel; Maclennan, Joseph; Glaser, Matthew; Park, Cheol; Hall, Nancy; Tin, Padetha

    2015-01-01

    In recent years, research on complex fluids and fluids in restricted geometries has attracted much attention in the scientific community. This can be attributed not only to the development of novel materials based on complex fluids but also to a variety of important physical phenomena which have barely been explored. One example is the behavior of membranes and thin fluid films, which can be described by two-dimensional (2D) rheology behavior that is quite different from 3D fluids. In this study, we have investigated the rheological properties of freely suspended films of a thermotropic liquid crystal in microgravity experiments. This model system mimics isotropic and anisotropic quasi 2D fluids [46]. We use inkjet printing technology to dispense small droplets (inclusions) onto the film surface. The motion of these inclusions provides information on the rheological properties of the films and allows the study of a variety of flow instabilities. Flat films have been investigated on a sub-orbital rocket flight and curved films (bubbles) have been studied in the ISS project OASIS. Microgravity is essential when the films are curved in order to avoid sedimentation. The experiments yield the mobility of the droplets in the films as well as the mutual mobility of pairs of particles. Experimental results will be presented for 2D-isotropic (smectic-A) and 2D-nematic (smectic-C) phases.

  19. Validation and testing of the VAM2D computer code

    SciTech Connect

    Kool, J.B.; Wu, Y.S. )

    1991-10-01

    This document describes two modeling studies conducted by HydroGeoLogic, Inc. for the US NRC under contract no. NRC-04089-090, entitled, Validation and Testing of the VAM2D Computer Code.'' VAM2D is a two-dimensional, variably saturated flow and transport code, with applications for performance assessment of nuclear waste disposal. The computer code itself is documented in a separate NUREG document (NUREG/CR-5352, 1989). The studies presented in this report involve application of the VAM2D code to two diverse subsurface modeling problems. The first one involves modeling of infiltration and redistribution of water and solutes in an initially dry, heterogeneous field soil. This application involves detailed modeling over a relatively short, 9-month time period. The second problem pertains to the application of VAM2D to the modeling of a waste disposal facility in a fractured clay, over much larger space and time scales and with particular emphasis on the applicability and reliability of using equivalent porous medium approach for simulating flow and transport in fractured geologic media. Reflecting the separate and distinct nature of the two problems studied, this report is organized in two separate parts. 61 refs., 31 figs., 9 tabs.

  20. Studying Zeolite Catalysts with a 2D Model System

    ScienceCinema

    Boscoboinik, Anibal

    2016-12-14

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  1. 2D nanomaterials based electrochemical biosensors for cancer diagnosis.

    PubMed

    Wang, Lu; Xiong, Qirong; Xiao, Fei; Duan, Hongwei

    2017-03-15

    Cancer is a leading cause of death in the world. Increasing evidence has demonstrated that early diagnosis holds the key towards effective treatment outcome. Cancer biomarkers are extensively used in oncology for cancer diagnosis and prognosis. Electrochemical sensors play key roles in current laboratory and clinical analysis of diverse chemical and biological targets. Recent development of functional nanomaterials offers new possibilities of improving the performance of electrochemical sensors. In particular, 2D nanomaterials have stimulated intense research due to their unique array of structural and chemical properties. The 2D materials of interest cover broadly across graphene, graphene derivatives (i.e., graphene oxide and reduced graphene oxide), and graphene-like nanomaterials (i.e., 2D layered transition metal dichalcogenides, graphite carbon nitride and boron nitride nanomaterials). In this review, we summarize recent advances in the synthesis of 2D nanomaterials and their applications in electrochemical biosensing of cancer biomarkers (nucleic acids, proteins and some small molecules), and present a personal perspective on the future direction of this area.

  2. 2D molybdenum disulphide (2D-MoS2) modified electrodes explored towards the oxygen reduction reaction

    NASA Astrophysics Data System (ADS)

    Rowley-Neale, Samuel J.; Fearn, Jamie M.; Brownson, Dale A. C.; Smith, Graham C.; Ji, Xiaobo; Banks, Craig E.

    2016-08-01

    Two-dimensional molybdenum disulphide nanosheets (2D-MoS2) have proven to be an effective electrocatalyst, with particular attention being focused on their use towards increasing the efficiency of the reactions associated with hydrogen fuel cells. Whilst the majority of research has focused on the Hydrogen Evolution Reaction (HER), herein we explore the use of 2D-MoS2 as a potential electrocatalyst for the much less researched Oxygen Reduction Reaction (ORR). We stray from literature conventions and perform experiments in 0.1 M H2SO4 acidic electrolyte for the first time, evaluating the electrochemical performance of the ORR with 2D-MoS2 electrically wired/immobilised upon several carbon based electrodes (namely; Boron Doped Diamond (BDD), Edge Plane Pyrolytic Graphite (EPPG), Glassy Carbon (GC) and Screen-Printed Electrodes (SPE)) whilst exploring a range of 2D-MoS2 coverages/masses. Consequently, the findings of this study are highly applicable to real world fuel cell applications. We show that significant improvements in ORR activity can be achieved through the careful selection of the underlying/supporting carbon materials that electrically wire the 2D-MoS2 and utilisation of an optimal mass of 2D-MoS2. The ORR onset is observed to be reduced to ca. +0.10 V for EPPG, GC and SPEs at 2D-MoS2 (1524 ng cm-2 modification), which is far closer to Pt at +0.46 V compared to bare/unmodified EPPG, GC and SPE counterparts. This report is the first to demonstrate such beneficial electrochemical responses in acidic conditions using a 2D-MoS2 based electrocatalyst material on a carbon-based substrate (SPEs in this case). Investigation of the beneficial reaction mechanism reveals the ORR to occur via a 4 electron process in specific conditions; elsewhere a 2 electron process is observed. This work offers valuable insights for those wishing to design, fabricate and/or electrochemically test 2D-nanosheet materials towards the ORR.Two-dimensional molybdenum disulphide nanosheets

  3. WE-AB-BRA-07: Quantitative Evaluation of 2D-2D and 2D-3D Image Guided Radiation Therapy for Clinical Trial Credentialing, NRG Oncology/RTOG

    SciTech Connect

    Giaddui, T; Yu, J; Xiao, Y; Jacobs, P; Manfredi, D; Linnemann, N

    2015-06-15

    Purpose: 2D-2D kV image guided radiation therapy (IGRT) credentialing evaluation for clinical trial qualification was historically qualitative through submitting screen captures of the fusion process. However, as quantitative DICOM 2D-2D and 2D-3D image registration tools are implemented in clinical practice for better precision, especially in centers that treat patients with protons, better IGRT credentialing techniques are needed. The aim of this work is to establish methodologies for quantitatively reviewing IGRT submissions based on DICOM 2D-2D and 2D-3D image registration and to test the methodologies in reviewing 2D-2D and 2D-3D IGRT submissions for RTOG/NRG Oncology clinical trials qualifications. Methods: DICOM 2D-2D and 2D-3D automated and manual image registration have been tested using the Harmony tool in MIM software. 2D kV orthogonal portal images are fused with the reference digital reconstructed radiographs (DRR) in the 2D-2D registration while the 2D portal images are fused with DICOM planning CT image in the 2D-3D registration. The Harmony tool allows alignment of the two images used in the registration process and also calculates the required shifts. Shifts calculated using MIM are compared with those submitted by institutions for IGRT credentialing. Reported shifts are considered to be acceptable if differences are less than 3mm. Results: Several tests have been performed on the 2D-2D and 2D-3D registration. The results indicated good agreement between submitted and calculated shifts. A workflow for reviewing these IGRT submissions has been developed and will eventually be used to review IGRT submissions. Conclusion: The IROC Philadelphia RTQA center has developed and tested a new workflow for reviewing DICOM 2D-2D and 2D-3D IGRT credentialing submissions made by different cancer clinical centers, especially proton centers. NRG Center for Innovation in Radiation Oncology (CIRO) and IROC RTQA center continue their collaborative efforts to enhance

  4. Half-metallicity in 2D organometallic honeycomb frameworks.

    PubMed

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-26

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule-CN-noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  5. 2d-LCA - an alternative to x-wires

    NASA Astrophysics Data System (ADS)

    Puczylowski, Jaroslaw; Hölling, Michael; Peinke, Joachim

    2014-11-01

    The 2d-Laser Cantilever Anemometer (2d-LCA) is an innovative sensor for two-dimensional velocity measurements in fluids. It uses a micostructured cantilever made of silicon and SU-8 as a sensing element and is capable of performing mesurements with extremly high temporal resolutions up to 150 kHz. The size of the cantilever defines its spatial resolution, which is in the order of 150 μm only. Another big feature is a large angular range of 180° in total. The 2d-LCA has been developed as an alternative measurement method to x-wires with the motivation to create a sensor that can operate in areas where the use of hot-wire anemometry is difficult. These areas include measurements in liquids and in near-wall or particle-laden flows. Unlike hot-wires, the resolution power of the 2d-LCA does not decrease with increasing flow velocity, making it particularly suitable for measurements in high speed flows. Comparative measurements with the 2d-LCA and hot-wires have been carried out in order to assess the performance of the new anemometer. The data of both measurement techniques were analyzed using the same stochastic methods including a spectral analysis as well as an inspection of increment statistics and structure functions. Furthermore, key parameters, such as mean values of both velocity components, angles of attack and the characteristic length scales were determined from both data sets. The analysis reveals a great agreement between both anemometers and thus confirms the new approach.

  6. 2D/3D Image Registration using Regression Learning

    PubMed Central

    Chou, Chen-Rui; Frederick, Brandon; Mageras, Gig; Chang, Sha; Pizer, Stephen

    2013-01-01

    In computer vision and image analysis, image registration between 2D projections and a 3D image that achieves high accuracy and near real-time computation is challenging. In this paper, we propose a novel method that can rapidly detect an object’s 3D rigid motion or deformation from a 2D projection image or a small set thereof. The method is called CLARET (Correction via Limited-Angle Residues in External Beam Therapy) and consists of two stages: registration preceded by shape space and regression learning. In the registration stage, linear operators are used to iteratively estimate the motion/deformation parameters based on the current intensity residue between the target projec-tion(s) and the digitally reconstructed radiograph(s) (DRRs) of the estimated 3D image. The method determines the linear operators via a two-step learning process. First, it builds a low-order parametric model of the image region’s motion/deformation shape space from its prior 3D images. Second, using learning-time samples produced from the 3D images, it formulates the relationships between the model parameters and the co-varying 2D projection intensity residues by multi-scale linear regressions. The calculated multi-scale regression matrices yield the coarse-to-fine linear operators used in estimating the model parameters from the 2D projection intensity residues in the registration. The method’s application to Image-guided Radiation Therapy (IGRT) requires only a few seconds and yields good results in localizing a tumor under rigid motion in the head and neck and under respiratory deformation in the lung, using one treatment-time imaging 2D projection or a small set thereof. PMID:24058278

  7. Half-metallicity in 2D organometallic honeycomb frameworks

    NASA Astrophysics Data System (ADS)

    Sun, Hao; Li, Bin; Zhao, Jin

    2016-10-01

    Half-metallic materials with a high Curie temperature (T C) have many potential applications in spintronics. Magnetic metal free two-dimensional (2D) half-metallic materials with a honeycomb structure contain graphene-like Dirac bands with π orbitals and show excellent aspects in transport properties. In this article, by investigating a series of 2D organometallic frameworks with a honeycomb structure using first principles calculations, we study the origin of forming half-metallicity in this kind of 2D organometallic framework. Our analysis shows that charge transfer and covalent bonding are two crucial factors in the formation of half-metallicity in organometallic frameworks. (i) Sufficient charge transfer from metal atoms to the molecules is essential to form the magnetic centers. (ii) These magnetic centers need to be connected through covalent bonding, which guarantee the strong ferromagnetic (FM) coupling. As examples, the organometallic frameworks composed by (1,3,5)-benzenetricarbonitrile (TCB) molecules with noble metals (Au, Ag, Cu) show half-metallic properties with T C as high as 325 K. In these organometallic frameworks, the strong electronegative cyano-groups (CN groups) drive the charge transfer from metal atoms to the TCB molecules, forming the local magnetic centers. These magnetic centers experience strong FM coupling through the d-p covalent bonding. We propose that most of the 2D organometallic frameworks composed by molecule—CN—noble metal honeycomb structures contain similar half metallicity. This is verified by replacing TCB molecules with other organic molecules. Although the TCB-noble metal organometallic framework has not yet been synthesized, we believe the development of synthesizing techniques and facility will enable the realization of them. Our study provides new insight into the 2D half-metallic material design for the potential applications in nanotechnology.

  8. Submillimeter laboratory identification of CH{sup +} and CH{sub 2}D{sup +}

    SciTech Connect

    Amano, T.

    2015-01-22

    Laboratory identification of two basic and important interstellar molecular ions is presented. The J = 1 - 0 rotational transition of {sup 12}CH{sup +} together with those of {sup 13}CH{sup +} and {sup 12}CD{sup +} was observed in the laboratory. The newly obtained frequencies were found to be different from those reported previously. Various experimental evidences firmly support the new measurements. In addition, the Zeeman effect and the spin-rotation hyperfine interaction enforce the laboratory identification with no ambiguity. Rotational lines of CH{sub 2}D{sup +} were observed in the submillimeter-wave region. This laboratory observation is consistent with a recent tentative identification of CH{sub 2}D{sup +} toward Ori IRc2.

  9. 2D Superexchange-mediated magnetization dynamics in an optical lattice

    NASA Astrophysics Data System (ADS)

    Goldschmidt, Elizabeth; Brown, Roger; Wyllie, Robert; Koller, Silvio; Foss-Feig, Michael; Porto, Trey

    2015-05-01

    The interplay of magnetic exchange interactions and tunneling underlies many complex quantum phenomena observed in real materials. We study nonequilibrium magnetization dynamics in an extended 2D system by loading effective spin-1/2 bosons into a spin-dependent optical lattice, and we use the lattice to separately control the resonance conditions for tunneling and superexchange. After preparing a nonequilibrium antiferromagnetically ordered state, we observe relaxation dynamics governed by two well-separated rates, which scale with the underlying Hamiltonian parameters associated with superexchange and tunneling. Remarkably, with tunneling off-resonantly suppressed, we are able to observe superexchange-dominated dynamics over two orders of magnitude in magnetic coupling strength, despite the presence of vacancies. In this regime, the measured timescales are in agreement with simple theoretical estimates, but the detailed dynamics of this 2D, strongly-correlated, and far-from-equilibrium quantum system remain out of reach of current computational techniques. Now at Georgia Tech Research Institute.

  10. A Free-Standing and Self-Healable 2D Supramolecular Material Based on Hydrogen Bonding: A Nanowire Array with Sub-2-nm Resolution.

    PubMed

    Li, Ming; Song, Mengyao; Wu, Guitai; Tang, Zhenyu; Sun, Yunfeng; He, Yunbin; Li, Jinhua; Li, Lei; Gu, Haoshuang; Liu, Xiong; Ma, Chuang; Peng, Zefei; Ai, Zhaoquan; Lewis, David J

    2017-04-07

    In many 2D materials reported thus far, the forces confining atoms in a 2D plane are often strong interactions, such as covalent bonding. Herein, the first demonstration that hydrogen (H)-bonding can be utilized to assemble polydiacetylene (a conductive polymer) toward a 2D material, which is stable enough to be free-standing, is shown. The 2D material is well characterized by a large number of techniques (mainly different microscopy techniques). The H-bonding allows splitting of the material into ribbons, which can reassemble, similar to a zipper, leading to the first example of a healable 2D material. Moreover, such technology can easily create 2D, organic, conductive nanowire arrays with sub-2-nm resolution. This material may have potential applications in stretchable electronics and nanowire cross-bar arrays.

  11. A scanning-mode 2D shear wave imaging (s2D-SWI) system for ultrasound elastography.

    PubMed

    Qiu, Weibao; Wang, Congzhi; Li, Yongchuan; Zhou, Juan; Yang, Ge; Xiao, Yang; Feng, Ge; Jin, Qiaofeng; Mu, Peitian; Qian, Ming; Zheng, Hairong

    2015-09-01

    Ultrasound elastography is widely used for the non-invasive measurement of tissue elasticity properties. Shear wave imaging (SWI) is a quantitative method for assessing tissue stiffness. SWI has been demonstrated to be less operator dependent than quasi-static elastography, and has the ability to acquire quantitative elasticity information in contrast with acoustic radiation force impulse (ARFI) imaging. However, traditional SWI implementations cannot acquire two dimensional (2D) quantitative images of the tissue elasticity distribution. This study proposes and evaluates a scanning-mode 2D SWI (s2D-SWI) system. The hardware and image processing algorithms are presented in detail. Programmable devices are used to support flexible control of the system and the image processing algorithms. An analytic signal based cross-correlation method and a Radon transformation based shear wave speed determination method are proposed, which can be implemented using parallel computation. Imaging of tissue mimicking phantoms, and in vitro, and in vivo imaging test are conducted to demonstrate the performance of the proposed system. The s2D-SWI system represents a new choice for the quantitative mapping of tissue elasticity, and has great potential for implementation in commercial ultrasound scanners.

  12. 2D-2D tunneling field-effect transistors using WSe2/SnSe2 heterostructures

    NASA Astrophysics Data System (ADS)

    Roy, Tania; Tosun, Mahmut; Hettick, Mark; Ahn, Geun Ho; Hu, Chenming; Javey, Ali

    2016-02-01

    Two-dimensional materials present a versatile platform for developing steep transistors due to their uniform thickness and sharp band edges. We demonstrate 2D-2D tunneling in a WSe2/SnSe2 van der Waals vertical heterojunction device, where WSe2 is used as the gate controlled p-layer and SnSe2 is the degenerately n-type layer. The van der Waals gap facilitates the regulation of band alignment at the heterojunction, without the necessity of a tunneling barrier. ZrO2 is used as the gate dielectric, allowing the scaling of gate oxide to improve device subthreshold swing. Efficient gate control and clean interfaces yield a subthreshold swing of ˜100 mV/dec for >2 decades of drain current at room temperature, hitherto unobserved in 2D-2D tunneling devices. The subthreshold swing is independent of temperature, which is a clear signature of band-to-band tunneling at the heterojunction. A maximum switching ratio ION/IOFF of 107 is obtained. Negative differential resistance in the forward bias characteristics is observed at 77 K. This work bodes well for the possibilities of two-dimensional materials for the realization of energy-efficient future-generation electronics.

  13. A new kind of 2D topological insulators BiCN with a giant gap and its substrate effects

    PubMed Central

    Fu, Botao; Ge, Yanfeng; Su, Wenyong; Guo, Wei; Liu, Cheng-Cheng

    2016-01-01

    Based on DFT calculation, we predict that BiCN, i.e., bilayer Bi films passivated with -CN group, is a novel 2D Bi-based material with highly thermodynamic stability, and demonstrate that it is also a new kind of 2D TI with a giant SOC gap (~1 eV) by direct calculation of the topological invariant Z2 and obvious exhibition of the helical edge states. Monolayer h-BN and MoS2 are identified as good candidate substrates for supporting the nontrivial topological insulating phase of the 2D TI films, since the two substrates can stabilize and weakly interact with BiCN via van der Waals interaction and thus hardly affect the electronic properties, especially the band topology. The topological properties are robust against the strain and electric field. This may provide a promising platform for realization of novel topological phases. PMID:27444954

  14. A simplified concentration series to produce a pair of 2D asynchronous spectra based on the DAOSD approach

    NASA Astrophysics Data System (ADS)

    Kang, Xiaoyan; He, Anqi; Guo, Ran; Zhai, Yanjun; Xu, Yizhuang; Noda, Isao; Wu, Jinguang

    2016-11-01

    We propose a substantially simplified approach to construct a pair of 2D asynchronous spectra based on the DAOSD approach proposed in our previous papers. By using a new concentration series, only three 1D spectra are used to generate a pair of 2D correlation spectra together with two reference spectra. By using this method, the previous problem of labor intensive traditional DAOSD approach has been successfully addressed. We apply the new approach to characterize intermolecular interaction between acetonitrile and butanone dissolved in carbon tetrachloride. The existence of intermolecular interaction between the two solutes can be confirmed by the presence of a cross peak in the resultant 2D IR spectra. In addition, the absence of cross peak around (2254, 2292) in Ψbutanone provides another experimental evidence to reveal the intrinsic relationship between the Ctbnd N stretching band and an overtone band (δCH3+νC-C).

  15. Response to CYP2D6 substrate antidepressants is predicted by a CYP2D6 composite phenotype based on genotype and comedications with CYP2D6 inhibitors.

    PubMed

    Gressier, F; Verstuyft, C; Hardy, P; Becquemont, L; Corruble, E

    2015-01-01

    The cytochrome P450 2D6 (CYP2D6) is involved in the metabolism of most antidepressants. Comedication with a potent CYP2D6 inhibitor can convert patients with extensive metabolizer (EM) or ultra-rapid metabolizer (UM) genotypes into poor metabolizer (PM) phenotypes. Since comedication is frequent in depressed patients treated with antidepressants, we investigated the effect of the CYP2D6 composite phenotype on antidepressant efficacy, taking into account both the CYP2D6 genotype and comedication with CYP2D6 inhibitors. 87 Caucasian in patients with a major depressive episode were prospectively treated with flexible doses of antidepressant monotherapy as well as comedications and genotyped for the major CYP2D6 alleles (CYP2D6*3 rs35742686, *4 rs3892097, *5 del, *6 rs5030655, and *2xN). They were classified for CYP2D6 composite phenotype and assessed for antidepressant response after 4 weeks. In terms of genotypes (g), 6 subjects were UMg, 6 PMg, and 75 EMg. Ten patients were coprescribed a CYP2D6 inhibitor, resulting in the following composite phenotypes (cp): 5 UMcp, 16 PMcp, and 66 EMcp. Whereas none of the CYP2D6 genotypes were significantly associated with antidepressant response, UMcp had a lower antidepressant response than PMcp or EMcp (respectively: 39.0 ± 17.9, 50.0 ± 26.0, and 61.6 ± 23.4, p = 0.02). Despite small sample size, this study suggests that a CYP2D6 composite phenotype, taking into account both genotype and comedications with CYP2D6 inhibitors, could predict CYP2D6 substrate antidepressants response. Thus, to optimize antidepressant response, CYP2D6 genotype could be performed and comedications with CYP2D6 inhibitors should be avoided, when prescribing CYP2D6 substrate antidepressants.

  16. 2-D linear motion system. Innovative technology summary report

    SciTech Connect

    1998-11-01

    The US Department of Energy's (DOE's) nuclear facility decontamination and decommissioning (D and D) program requires buildings to be decontaminated, decommissioned, and surveyed for radiological contamination in an expeditious and cost-effective manner. Simultaneously, the health and safety of personnel involved in the D and D activities is of primary concern. D and D workers must perform duties high off the ground, requiring the use of manlifts or scaffolding, often, in radiologically or chemically contaminated areas or in areas with limited access. Survey and decontamination instruments that are used are sometimes heavy or awkward to use, particularly when the worker is operating from a manlift or scaffolding. Finding alternative methods of performing such work on manlifts or scaffolding is important. The 2-D Linear Motion System (2-D LMS), also known as the Wall Walker{trademark}, is designed to remotely position tools and instruments on walls for use in such activities as radiation surveys, decontamination, and painting. Traditional (baseline) methods for operating equipment for these tasks require workers to perform duties on elevated platforms, sometimes several meters above the ground surface and near potential sources of contamination. The Wall Walker 2-D LMS significantly improves health and safety conditions by facilitating remote operation of equipment. The Wall Walker 2-D LMS performed well in a demonstration of its precision, accuracy, maneuverability, payload capacity, and ease of use. Thus, this innovative technology is demonstrated to be a viable alternative to standard methods of performing work on large, high walls, especially those that have potential contamination concerns. The Wall Walker was used to perform a final release radiological survey on over 167 m{sup 2} of walls. In this application, surveying using a traditional (baseline) method that employs an aerial lift for manual access was 64% of the total cost of the improved technology

  17. Gold-standard performance for 2D hydrodynamic modeling

    NASA Astrophysics Data System (ADS)

    Pasternack, G. B.; MacVicar, B. J.

    2013-12-01

    Two-dimensional, depth-averaged hydrodynamic (2D) models are emerging as an increasingly useful tool for environmental water resources engineering. One of the remaining technical hurdles to the wider adoption and acceptance of 2D modeling is the lack of standards for 2D model performance evaluation when the riverbed undulates, causing lateral flow divergence and convergence. The goal of this study was to establish a gold-standard that quantifies the upper limit of model performance for 2D models of undulating riverbeds when topography is perfectly known and surface roughness is well constrained. A review was conducted of published model performance metrics and the value ranges exhibited by models thus far for each one. Typically predicted velocity differs from observed by 20 to 30 % and the coefficient of determination between the two ranges from 0.5 to 0.8, though there tends to be a bias toward overpredicting low velocity and underpredicting high velocity. To establish a gold standard as to the best performance possible for a 2D model of an undulating bed, two straight, rectangular-walled flume experiments were done with no bed slope and only different bed undulations and water surface slopes. One flume tested model performance in the presence of a porous, homogenous gravel bed with a long flat section, then a linear slope down to a flat pool bottom, and then the same linear slope back up to the flat bed. The other flume had a PVC plastic solid bed with a long flat section followed by a sequence of five identical riffle-pool pairs in close proximity, so it tested model performance given frequent undulations. Detailed water surface elevation and velocity measurements were made for both flumes. Comparing predicted versus observed velocity magnitude for 3 discharges with the gravel-bed flume and 1 discharge for the PVC-bed flume, the coefficient of determination ranged from 0.952 to 0.987 and the slope for the regression line was 0.957 to 1.02. Unsigned velocity

  18. Instantons in 2D U(1) Higgs model and 2D CP(N-1) sigma models

    NASA Astrophysics Data System (ADS)

    Lian, Yaogang

    2007-12-01

    In this thesis I present the results of a study of the topological structures of 2D U(1) Higgs model and 2D CP N-1 sigma models. Both models have been studied using the overlap Dirac operator construction of topological charge density. The overlap operator provides a more incisive probe into the local topological structure of gauge field configurations than the traditional plaquette-based operator. In the 2D U(1) Higgs model, we show that classical instantons with finite sizes violate the negativity of topological charge correlator by giving a positive contribution to the correlator at non-zero separation. We argue that instantons in 2D U(1) Higgs model must be accompanied by large quantum fluctuations in order to solve this contradiction. In 2D CPN-1 sigma models, we observe the anomalous scaling behavior of the topological susceptibility chi t for N ≤ 3. The divergence of chi t in these models is traced to the presence of small instantons with a radius of order a (= lattice spacing), which are directly observed on the lattice. The observation of these small instantons provides detailed confirmation of Luscher's argument that such short-distance excitations, with quantized topological charge, should be the dominant topological fluctuations in CP1 and CP 2, leading to a divergent topological susceptibility in the continuum limit. For the CPN-1 models with N > 3 the topological susceptibility is observed to scale properly with the mass gap. Another topic presented in this thesis is an implementation of the Zolotarev optimal rational approximation for the overlap Dirac operator. This new implementation has reduced the time complexity of the overlap routine from O(N3 ) to O(N), where N is the total number of sites on the lattice. This opens up a door to more accurate lattice measurements in the future.

  19. Optimizing sparse sampling for 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Roeding, Sebastian; Klimovich, Nikita; Brixner, Tobias

    2017-02-01

    We present a new data acquisition concept using optimized non-uniform sampling and compressed sensing reconstruction in order to substantially decrease the acquisition times in action-based multidimensional electronic spectroscopy. For this we acquire a regularly sampled reference data set at a fixed population time and use a genetic algorithm to optimize a reduced non-uniform sampling pattern. We then apply the optimal sampling for data acquisition at all other population times. Furthermore, we show how to transform two-dimensional (2D) spectra into a joint 4D time-frequency von Neumann representation. This leads to increased sparsity compared to the Fourier domain and to improved reconstruction. We demonstrate this approach by recovering transient dynamics in the 2D spectrum of a cresyl violet sample using just 25% of the originally sampled data points.

  20. D2-D1 phase transition of columnar liquid crystals

    NASA Astrophysics Data System (ADS)

    Sun, Y. F.; Swift, J.

    1986-04-01

    The D2-D1 phase transition in columnar liquid crystals of the HAT series [e.g., HAT11 (triphenelene hexa-n-dodecanoate)] is discussed within the framework of Landau theory. The order parameters which describe the transition are abstracted from a tensor density function, and are associated with two irreducible representations of the symmetry group of the high-temperature D2 phase. A mechanism for a first-order transition is then suggested in accordance with both theoretical considerations and the experimental result for the D2-D1 transition. Two possible arrangements of the herringbone structure of the D1 phase are obtained, each of which gives six orientational states in the low-temperature D1 phase.

  1. Extreme Growth of Enstrophy on 2D Bounded Domains

    NASA Astrophysics Data System (ADS)

    Protas, Bartosz; Sliwiak, Adam

    2016-11-01

    We study the vortex states responsible for the largest instantaneous growth of enstrophy possible in viscous incompressible flow on 2D bounded domain. The goal is to compare these results with estimates obtained using mathematical analysis. This problem is closely related to analogous questions recently considered in the periodic setting on 1D, 2D and 3D domains. In addition to systematically characterizing the most extreme behavior, these problems are also closely related to the open question of the finite-time singularity formation in the 3D Navier-Stokes system. We demonstrate how such extreme vortex states can be found as solutions of constrained variational optimization problems which in the limit of small enstrophy reduce to eigenvalue problems. Computational results will be presented for circular and square domains emphasizing the effect of geometric singularities (corners of the domain) on the structure of the extreme vortex states. Supported by an NSERC (Canada) Discovery Grant.

  2. Strength design with 2-d triaxial braid textile composites

    SciTech Connect

    Smith, L.V.; Swanson, S.R.

    1994-12-31

    Textile preforms are currently being considered as a possible means for reducing the cost of advanced fiber composites. This paper presents a methodology for strength design of carbon/epoxy 2-d braid fiber composites under general conditions of biaxial stress loading. A comprehensive investigation into the in-plane strength properties of 2-d braids has been carried out, using tubular specimens of AS4/1895 carbon fiber/epoxy made with the RTM process. The biaxial loadings involved both compression-compression and tension-tension biaxial tests. The results showed that failure under biaxial loading could be based on procedures similar to those developed for laminates, using critical strain values in the axial and braid direction fibers, but with degraded strength properties because of the undulating nature of -the fiber paths. A significant loss of strength was observed in the braid directions.

  3. Band-structure engineering in conjugated 2D polymers.

    PubMed

    Gutzler, Rico

    2016-10-26

    Conjugated polymers find widespread application in (opto)electronic devices, sensing, and as catalysts. Their common one-dimensional structure can be extended into the second dimension to create conjugated planar sheets of covalently linked molecules. Extending π-conjugation into the second dimension unlocks a new class of semiconductive polymers which as a consequence of their unique electronic properties can find usability in numerous applications. In this article the theoretical band structures of a set of conjugated 2D polymers are compared and information on the important characteristics band gap and valence/conduction band dispersion is extracted. The great variance in these characteristics within the investigated set suggests 2D polymers as exciting materials in which band-structure engineering can be used to tailor sheet-like organic materials with desired electronic properties.

  4. Enhanced automated platform for 2D characterization of RFID communications

    NASA Astrophysics Data System (ADS)

    Vuza, Dan Tudor; Vlǎdescu, Marian

    2016-12-01

    The characterization of the quality of communication between an RFID reader and a transponder at all expected positions of the latter on the reader antenna is of primal importance for the evaluation of performance of an RFID system. Continuing the line of instruments developed for this purpose by the authors, the present work proposes an enhanced version of a previously introduced automated platform for 2D evaluation. By featuring higher performance in terms of mechanical speed, the new version allows to obtain 2D maps of communication with a higher resolution that would have been prohibitive in terms of test duration with the previous version. The list of measurement procedures that can be executed with the platform is now enlarged with additional ones, such as the determination of the variation of the magnetic coupling between transponder and antenna across the antenna surface and the utilization of transponder simulators for evaluation of the quality of communication.

  5. Transition to chaos in an open unforced 2D flow

    NASA Technical Reports Server (NTRS)

    Pulliam, Thomas H.; Vastano, John A.

    1993-01-01

    The present numerical study of unsteady, low Reynolds number flow past a 2D airfoil attempts to ascertain the bifurcation sequence leading from simple periodic to complex aperiodic flow with rising Reynolds number, as well as to characterize the degree of chaos present in the aperiodic flow and assess the role of numerics in the modification and control of the observed bifurcation scenario. The ARC2D Navier-Stokes code is used in an unsteady time-accurate mode for most of these computations. The system undergoes a period-doubling bifurcation to chaos as the Reynolds number is increased from 800 to 1600; its chaotic attractors are characterized by estimates of the fractal dimension and partial Liapunov exponent spectra.

  6. Hard and Soft Physics with 2D Materials

    NASA Astrophysics Data System (ADS)

    McEuen, Paul

    With their remarkable structural, thermal, mechanical, optical, chemical, and electronic properties, 2D materials are truly special. For example, a graphene sheet can be made into a high-performance transistor, but it is also the ultimate realization of a thin mechanical sheet. Such sheets, first studied in detail by August Föppl over a hundred years ago, are notoriously complex, since they can bend, buckle, and crumple in a variety of ways. In this talk, I will discuss a number of experiments to probe these unusual materials, from the effects of ripples on the mechanical properties of a graphene sheet, to folding with atomically thin bimorphs, to the electronic properties of bilayer graphene solitons. Finally, I discuss how the Japanese paper art of kirigami (kiru = `to cut', kami = `paper') applied to 2D materials offers a route to mechanical metamaterials and the construction of nanoscale machines.

  7. 2-D Magnetohydrodynamic Modeling of A Pulsed Plasma Thruster

    NASA Technical Reports Server (NTRS)

    Thio, Y. C. Francis; Cassibry, J. T.; Wu, S. T.; Rodgers, Stephen L. (Technical Monitor)

    2002-01-01

    Experiments are being performed on the NASA Marshall Space Flight Center (MSFC) MK-1 pulsed plasma thruster. Data produced from the experiments provide an opportunity to further understand the plasma dynamics in these thrusters via detailed computational modeling. The detailed and accurate understanding of the plasma dynamics in these devices holds the key towards extending their capabilities in a number of applications, including their applications as high power (greater than 1 MW) thrusters, and their use for producing high-velocity, uniform plasma jets for experimental purposes. For this study, the 2-D MHD modeling code, MACH2, is used to provide detailed interpretation of the experimental data. At the same time, a 0-D physics model of the plasma initial phase is developed to guide our 2-D modeling studies.

  8. Controlling avalanche criticality in 2D nano arrays

    PubMed Central

    Zohar, Y. C.; Yochelis, S.; Dahmen, K. A.; Jung, G.; Paltiel, Y.

    2013-01-01

    Many physical systems respond to slowly changing external force through avalanches spanning broad range of sizes. Some systems crackle even without apparent external force, such as bursts of neuronal activity or charge transfer avalanches in 2D molecular layers. Advanced development of theoretical models describing disorder-induced critical phenomena calls for experiments probing the dynamics upon tuneable disorder. Here we show that isomeric structural transitions in 2D organic self-assembled monolayer (SAM) exhibit critical dynamics with experimentally tuneable disorder. The system consists of field effect transistor coupled through SAM to illuminated semiconducting nanocrystals (NCs). Charges photoinduced in NCs are transferred through SAM to the transistor surface and modulate its conductivity. Avalanches of isomeric structural transitions are revealed by measuring the current noise I(t) of the transistor. Accumulated surface traps charges reduce dipole moments of the molecules, decrease their coupling, and thus decrease the critical disorder of the SAM enabling its tuning during experiments. PMID:23677142

  9. FPCAS2D user's guide, version 1.0

    NASA Technical Reports Server (NTRS)

    Bakhle, Milind A.

    1994-01-01

    The FPCAS2D computer code has been developed for aeroelastic stability analysis of bladed disks such as those in fans, compressors, turbines, propellers, or propfans. The aerodynamic analysis used in this code is based on the unsteady two-dimensional full potential equation which is solved for a cascade of blades. The structural analysis is based on a two degree-of-freedom rigid typical section model for each blade. Detailed explanations of the aerodynamic analysis, the numerical algorithms, and the aeroelastic analysis are not given in this report. This guide can be used to assist in the preparation of the input data required by the FPCAS2D code. A complete description of the input data is provided in this report. In addition, four test cases, including inputs and outputs, are provided.

  10. Controlling avalanche criticality in 2D nano arrays.

    PubMed

    Zohar, Y C; Yochelis, S; Dahmen, K A; Jung, G; Paltiel, Y

    2013-01-01

    Many physical systems respond to slowly changing external force through avalanches spanning broad range of sizes. Some systems crackle even without apparent external force, such as bursts of neuronal activity or charge transfer avalanches in 2D molecular layers. Advanced development of theoretical models describing disorder-induced critical phenomena calls for experiments probing the dynamics upon tuneable disorder. Here we show that isomeric structural transitions in 2D organic self-assembled monolayer (SAM) exhibit critical dynamics with experimentally tuneable disorder. The system consists of field effect transistor coupled through SAM to illuminated semiconducting nanocrystals (NCs). Charges photoinduced in NCs are transferred through SAM to the transistor surface and modulate its conductivity. Avalanches of isomeric structural transitions are revealed by measuring the current noise I(t) of the transistor. Accumulated surface traps charges reduce dipole moments of the molecules, decrease their coupling, and thus decrease the critical disorder of the SAM enabling its tuning during experiments.

  11. Micro-structural Fluctuations in 2D Dusty Plasma Liquids

    SciTech Connect

    I Lin; Huang, Y.-H.; Teng, L.-W.

    2007-07-13

    We address structural fluctuations in a cold 2D dusty plasma liquid which is self-organized through the strong Coulomb coupling of the negatively charged micro-meter sized dust particles suspending in weakly ionized discharges. The 2D liquids consist of triangular type ordered domains surrounded by defect clusters, which can be reorganized through avalanche type hopping under the interplay of strong Coulomb coupling and thermal fluctuations. The spatio-temporal evolutions of the local bond-orientational order are directly tracked through digital optical microscopy. The power law scaling of the temporal persistence length of fluctuations is obtained for the cold liquid. The measurement of the conditional probability of the persistence lengths of the successive fluctuating cycles suggests certain types of the persistence length combinations are more preferred. The memory of persistence lasts a few fluctuating cycles.

  12. 2D FEM Heat Transfer & E&M Field Code

    SciTech Connect

    1992-04-02

    TOPAZ and TOPAZ2D are two-dimensional implicit finite element computer codes for heat transfer analysis. TOPAZ2D can also be used to solve electrostatic and magnetostatic problems. The programs solve for the steady-state or transient temperature or electrostatic and magnetostatic potential field on two-dimensional planar or axisymmetric geometries. Material properties may be temperature or potential-dependent and either isotropic or orthotropic. A variety of time and temperature-dependent boundary conditions can be specified including temperature, flux, convection, and radiation. By implementing the user subroutine feature, users can model chemical reaction kinetics and allow for any type of functional representation of boundary conditions and internal heat generation. The programs can solve problems of diffuse and specular band radiation in an enclosure coupled with conduction in the material surrounding the enclosure. Additional features include thermal contact resistance across an interface, bulk fluids, phase change, and energy balances.

  13. Absolute state-selected total cross sections for the ion-molecule reactions O + (4S,2D,2P)+H2(D2)

    NASA Astrophysics Data System (ADS)

    Li, X.; Huang, Y.-L.; Flesch, G. D.; Ng, C. Y.

    1997-01-01

    Absolute total cross sections for the state-selected reactions of O+(4S,2D,2P)+H2 (D2) have been measured in the center-of-mass collision energy (Ec.m.) range of 0.02-12 eV. The cross sections for OH+ (OD+) from O+(2D)+H2 (D2) are slightly higher than those from O+(4S)+H2 (D2), whereas the OH+ (OD+) cross sections from O+ (2P)+H2 (D2) are ≈40% lower than those from O+(4S)+H2 (D2) and O+ (2D)+H2 (D2). At Ec.m.<0.5 eV, the total cross sections for OH+ (OD+) from O+ (4S)+H2 (D2) and O+(2D)+H2 (D2) are in accord with those predicted by the Langevin-Gioumousis-Stevenson model. Significantly higher cross sections are observed for H+ (D+) and H2+ (D2+) from O+(2D)+H2 (D2) and O+(2P)+H2 (D2), as compared to those from O+(4S)+H2 (D2). The exothermic nature of the O+(2D,2P)+H2 (D2) charge transfer collisions accounts for the high cross sections observed for H2+ (D2+). While the H+ (D+) ions observed in the O+(4S)+H2 (D2) reaction are identified with the H+ (D+)+O+H channel, the H+ (D+) ions from the reactions involving O+(2D) and O+(2P) are associated mostly with the H+ (D+)+OH (OD) channel, the formation of which obeys the spin-conservation rule. The comparison of the sum (σT) of cross sections for OH+ (OD+), H2+ (D2+), and H+ (D+) from O+(4S)+H2 (D2) to those from O+(2D)+H2 (D2) and O+(2P)+H2 (D2) shows that the σTs for O+(4S)+H2 (D2), O+(2D)+H2 (D2), and O+(2P)+H2 (D2) at Ec.m.<0.5 eV are comparable. At Ec.m.>0.5 eV, the σTs for O+(2P)+H2 (D2) are greater than those for O+(2D)+H2 (D2), which in turn are greater than those for O+(4S)+H2 (D2). This observation is attributed to the increase in the number of accessible product channels for reactions involving the excited O+(2D) and O+(2P) reactant ions.

  14. Local Topological Order Inhibits Thermal Stability in 2D

    NASA Astrophysics Data System (ADS)

    Landon-Cardinal, Olivier; Poulin, David

    2013-03-01

    We study the robustness of quantum information stored in the degenerate ground space of a local, frustration-free Hamiltonian with commuting terms on a 2D spin lattice. On one hand, a macroscopic energy barrier separating the distinct ground states under local transformations would protect the information from thermal fluctuations. On the other hand, local topological order would shield the ground space from static perturbations. Here we demonstrate that local topological order implies a constant energy barrier, thus inhibiting thermal stability.

  15. Synchronization of semiconductor laser arrays with 2D Bragg structures

    NASA Astrophysics Data System (ADS)

    Baryshev, V. R.; Ginzburg, N. S.

    2016-08-01

    A model of a planar semiconductor multi-channel laser is developed. In this model two-dimensional (2D) Bragg mirror structures are used for synchronizing radiation of multiple laser channels. Coupling of longitudinal and transverse waves can be mentioned as the distinguishing feature of these structures. Synchronization of 20 laser channels is demonstrated with a semi-classical approach based on Maxwell-Bloch equations.

  16. Statistical analysis of quiet stance sway in 2-D.

    PubMed

    Bakshi, Avijit; DiZio, Paul; Lackner, James R

    2014-04-01

    Subjects exposed to a rotating environment that perturbs their postural sway show adaptive changes in their voluntary spatially directed postural motion to restore accurate movement paths but do not exhibit any obvious learning during passive stance. We have found, however, that a variable known to characterize the degree of stochasticity in quiet stance can also reveal subtle learning phenomena in passive stance. We extended Chow and Collins (Phys Rev E 52(1):909-912, 1995) one-dimensional pinned-polymer model (PPM) to two dimensions (2-D) and then evaluated the model's ability to make analytical predictions for 2-D quiet stance. To test the model, we tracked center of mass and centers of foot pressures, and compared and contrasted stance sway for the anterior-posterior versus medio-lateral directions before, during, and after exposure to rotation at 10 rpm. Sway of the body during rotation generated Coriolis forces that acted perpendicular to the direction of sway. We found significant adaptive changes for three characteristic features of the mean square displacement (MSD) function: the exponent of the power law defined at short time scales, the proportionality constant of the power law, and the saturation plateau value defined at longer time scales. The exponent of the power law of MSD at a short time scale lies within the bounds predicted by the 2-D PPM. The change in MSD during exposure to rotation also had a power-law exponent in the range predicted by the theoretical model. We discuss the Coriolis force paradigm for studying postural and movement control and the applicability of the PPM model in 2-D for studying postural adaptation.

  17. Flow transitions in a 2D directional solidification model

    NASA Technical Reports Server (NTRS)

    Larroude, Philippe; Ouazzani, Jalil; Alexander, J. Iwan D.

    1992-01-01

    Flow transitions in a Two Dimensional (2D) model of crystal growth were examined using the Bridgman-Stockbarger me thod. Using a pseudo-spectral Chebyshev collocation method, the governing equations yield solutions which exhibit a symmetry breaking flow tansition and oscillatory behavior indicative of a Hopf bifurcation at higher values of Ra. The results are discussed from fluid dynamic viewpoint, and broader implications for process models are also addressed.

  18. Vertical heterostructures based on graphene and other 2D materials

    SciTech Connect

    Antonova, I. V.

    2016-01-15

    Recent advances in the fabrication of vertical heterostructures based on graphene and other dielectric and semiconductor single-layer materials, including hexagonal boron nitride and transition-metal dichalcogenides, are reviewed. Significant progress in this field is discussed together with the great prospects for the development of vertical heterostructures for various applications, which are associated, first of all, with reconsideration of the physical principles of the design and operation of device structures based on graphene combined with other 2D materials.

  19. 2D Hybrid Nanostructured Dirac Materials for Broadband Transparent Electrodes.

    PubMed

    Guo, Yunfan; Lin, Li; Zhao, Shuli; Deng, Bing; Chen, Hongliang; Ma, Bangjun; Wu, Jinxiong; Yin, Jianbo; Liu, Zhongfan; Peng, Hailin

    2015-08-05

    Broadband transparent electrodes based on 2D hybrid nanostructured Dirac materials between Bi2 Se3 and graphene are synthesized using a chemical vapor deposition (CVD) method. Bi2 Se3 nanoplates are preferentially grown along graphene grain boundaries as "smart" conductive patches to bridge the graphene boundary. These hybrid films increase by one- to threefold in conductivity while remaining highly transparent over broadband wavelength. They also display outstanding chemical stability and mechanical flexibility.

  20. Parallel-pipeline 2-D DCT/IDCT processor chip

    NASA Astrophysics Data System (ADS)

    Ruiz, G. A.; Michell, J. A.; Buron, A.

    2005-06-01

    This paper describes the architecture of an 8x8 2-D DCT/IDCT processor with high throughput and a cost-effective architecture. The 2D DCT/IDCT is calculated using the separability property, so that its architecture is made up of two 1-D processors and a transpose buffer (TB) as intermediate memory. This transpose buffer presents a regular structure based on D-type flip-flops with a double serial input/output data-flow very adequate for pipeline architectures. The processor has been designed with parallel and pipeline architecture to attain high throughput, reduced hardware and maximum efficiency in all arithmetic elements. This architecture allows that the processing elements and arithmetic units work in parallel at half the frequency of the data input rate, except for normalization of transform which it is done in a multiplier operating at maximum frequency. Moreover, it has been verified that the precision analysis of the proposed processor meets the demands of IEEE Std. 1180-1990 used in video codecs ITU-T H.261 and ITU-T H.263. This processor has been conceived using a standard cell design methodology and manufactured in a 0.35-μm CMOS CSD 3M/2P 3.3V process. It has an area of 6.25 mm2 (the core is 3mm2) and contains a total of 11.7k gates, of which 5.8k gates are flip-flops. A data input rate frequency of 300MHz has been established with a latency of 172 cycles for the 2-D DCT and 178 cycles for the 2-D IDCT. The computing time of a block is close to 580ns. Its performances in computing speed as well as hardware complexity indicate that the proposed design is suitable for HDTV applications.

  1. Energy level transitions of gas in a 2D nanopore

    SciTech Connect

    Grinyaev, Yurii V.; Chertova, Nadezhda V.; Psakhie, Sergei G.

    2015-10-27

    An analytical study of gas behavior in a 2D nanopore was performed. It is shown that the temperature dependence of gas energy can be stepwise due to transitions from one size-quantized subband to another. Taking into account quantum size effects results in energy level transitions governed by the nanopore size, temperature and gas density. This effect leads to an abrupt change of gas heat capacity in the nanopore at the above varying system parameters.

  2. 2D and 3D Traveling Salesman Problem

    ERIC Educational Resources Information Center

    Haxhimusa, Yll; Carpenter, Edward; Catrambone, Joseph; Foldes, David; Stefanov, Emil; Arns, Laura; Pizlo, Zygmunt

    2011-01-01

    When a two-dimensional (2D) traveling salesman problem (TSP) is presented on a computer screen, human subjects can produce near-optimal tours in linear time. In this study we tested human performance on a real and virtual floor, as well as in a three-dimensional (3D) virtual space. Human performance on the real floor is as good as that on a…

  3. Numerical 2D-modeling of multiroll leveling

    NASA Astrophysics Data System (ADS)

    Mathieu, N.; Potier-Ferry, M.; Zahrouni, H.

    2016-10-01

    Multiroll leveling is a forming process used in the metals industries (aluminum, steel, …) in order to correct flatness defects and minimize residual stresses in strips thanks to alternating bending. This work proposes a Finite Element 2D model to simulate the metal sheet conveying through the machine. Obtained results (plastic strain and residual stress distributions through thickness) are analysed. Strip deformation, after elastic springback and potential buckling, is also predicted (residual curvatures).

  4. 2-D Signal Generation Using State-Space Formulation.

    DTIC Science & Technology

    1985-12-01

    published that have established nonoptical .~ -~ Iimage processing as a viable area of research. A large portion of this research emphasizes the linear...research and the study of time-discrete linear systems. This thesis develops the discrete model of Roesser [Ref. 5] for linear image processing which... THESIS 2-D SIGNAL GENERATION USING STATE-SPACE FORMULATION - • by (.) Evangelos Theofilou December 1985 • Thesis Advisor: Sydney R. Parker Approved

  5. Geometric properties of quasiperiodic orbits of 2D Hamiltonian systems

    NASA Astrophysics Data System (ADS)

    Adrover, A.; Giona, M.

    1999-08-01

    By enforcing the isomorphism between the group SL(2, R ) and linear fractional transforms, this letter shows that, for quasi-periodic orbits of 2D area-preserving maps possessing regions of chaotic behavior, the vector tangent to the quasiperiodic orbit can be obtained from the dynamics of the associated linear fractional transforms (obtained from the differential of the map), which is Cesaro convergent. Several implications of this geometric result are addressed.

  6. [3D display of sequential 2D medical images].

    PubMed

    Lu, Yisong; Chen, Yazhu

    2003-12-01

    A detailed review is given in this paper on various current 3D display methods for sequential 2D medical images and the new development in 3D medical image display. True 3D display, surface rendering, volume rendering, 3D texture mapping and distributed collaborative rendering are discussed in depth. For two kinds of medical applications: Real-time navigation system and high-fidelity diagnosis in computer aided surgery, different 3D display methods are presented.

  7. NASA High-Speed 2D Photogrammetric Measurement System

    NASA Technical Reports Server (NTRS)

    Dismond, Harriett R.

    2012-01-01

    The object of this report is to provide users of the NASA high-speed 2D photogrammetric measurement system with procedures required to obtain drop-model trajectory and impact data for full-scale and sub-scale models. This guide focuses on use of the system for vertical drop testing at the NASA Langley Landing and Impact Research (LandIR) Facility.

  8. 2D:4D Ratio and its Implications in Medicine

    PubMed Central

    Jeevanandam, Saravanakumar

    2016-01-01

    Digit ratios, especially 2D:4D ratio, a potential proxy marker for prenatal androgen exposure shows sexual dimorphism. Existing literature and recent research show accumulating evidence on 2D:4D ratio showing correlations with various phenotypic traits in humans. Ratio of 2D:4D is found to correlate negatively to testosterone and positively to oestrogen in the foetus. Interestingly, it is constant since birth and not influenced by the adult hormone levels. Usually, males have lower ratios when compared to females. Prenatal androgen exposure and therefore, digit ratios have been reported to be associated with numerical competencies, spatial skills, handedness, cognitive abilities, academic performance, sperm counts, personalities and prevalence of obesity, migraine, eating disorders, depression, myopia, autism etc. The authors have attempted to write a brief account on the digit ratios and the dimorphism observed in various physiological, psychological and behavioural traits. Also, the authors have discussed the relevant molecular basics and the methods of measurement of digit ratios. PMID:28208851

  9. 2D optical beam splitter using diffractive optical elements (DOE)

    NASA Astrophysics Data System (ADS)

    Wen, Fung J.; Chung, Po S.

    2006-09-01

    A novel approach for optical beam distribution into a 2-dimensional (2-D) packaged fiber arrays using 2-D Dammann gratings is investigated. This paper focuses on the design and fabrication of the diffractive optical element (DOE) and investigates the coupling efficiencies of the beamlets into a packaged V-grooved 2x2 fibre array. We report for the first time experimental results of a 2-D optical signal distribution into a packaged 2x2 fibre array using Dammann grating. This grating may be applicable to the FTTH network as it can support sufficient channels with good output uniformity together with low polarization dependent loss (PDL) and acceptable insertion loss. Using an appropriate optimization algorithm (the steepest descent algorithm in this case), the optimum profile for the gratings can be calculated. The gratings are then fabricated on ITO glass using electron-beam lithography. The overall performance of the design shows an output uniformity of around 0.14 dB and an insertion loss of about 12.63 dB, including the DOE, focusing lens and the packaged fiber array.

  10. Shear viscosity measurements in a 2D Yukawa liquid

    NASA Astrophysics Data System (ADS)

    Nosenko, Volodymyr

    2005-03-01

    Shear viscosity was measured for a 2D strongly-coupled Yukawa liquid. First, we formed a dilute monolayer suspension of microspheres in a partially-ionized rarefied gas, i.e., a dusty plasma. In the absence of manipulation, the suspension forms a 2D triangular lattice. We used a new in-situ method of applying a shear stress using the scattering forces applied by counter-propagating laser beams. The lattice melted and a shear flow formed. Using digital video microscopy for direct imaging and particle tracking, the microscopic dynamics of the shear flow are observed. Averaging the velocities of individual microspheres, a velocity flow profile was calculated. Using the Navier-Stokes equation with an additional frictional term to account for gas drag, we fit the velocity profile. The fit yielded the value of the shear viscosity. The kinematic viscosity of our particle suspension is of order 1 mm^2s-1, which is comparable to that for liquid water. We believe this is the first report of a rheological measurement in a 2D dusty plasma. This talk is based on V. Nosenko and J. Goree, PRL 93, 155004 (2004).

  11. Hybrid 3D-2D printing for bone scaffolds fabrication

    NASA Astrophysics Data System (ADS)

    Seleznev, V. A.; Prinz, V. Ya

    2017-02-01

    It is a well-known fact that bone scaffold topography on micro- and nanometer scale influences the cellular behavior. Nano-scale surface modification of scaffolds allows the modulation of biological activity for enhanced cell differentiation. To date, there has been only a limited success in printing scaffolds with micro- and nano-scale features exposed on the surface. To improve on the currently available imperfect technologies, in our paper we introduce new hybrid technologies based on a combination of 2D (nano imprint) and 3D printing methods. The first method is based on using light projection 3D printing and simultaneous 2D nanostructuring of each of the layers during the formation of the 3D structure. The second method is based on the sequential integration of preliminarily created 2D nanostructured films into a 3D printed structure. The capabilities of the developed hybrid technologies are demonstrated with the example of forming 3D bone scaffolds. The proposed technologies can be used to fabricate complex 3D micro- and nanostructured products for various fields.

  12. Volumetric elasticity imaging with a 2-D CMUT array.

    PubMed

    Fisher, Ted G; Hall, Timothy J; Panda, Satchi; Richards, Michael S; Barbone, Paul E; Jiang, Jingfeng; Resnick, Jeff; Barnes, Steve

    2010-06-01

    This article reports the use of a two-dimensional (2-D) capacitive micro-machined ultrasound transducer (CMUT) to acquire radio-frequency (RF) echo data from relatively large volumes of a simple ultrasound phantom to compare three-dimensional (3-D) elasticity imaging methods. Typical 2-D motion tracking for elasticity image formation was compared with three different methods of 3-D motion tracking, with sum-squared difference (SSD) used as the similarity measure. Differences among the algorithms were the degree to which they tracked elevational motion: not at all (2-D search), planar search, combination of multiple planes and plane independent guided search. The cross-correlation between the predeformation and motion-compensated postdeformation RF echo fields was used to quantify motion tracking accuracy. The lesion contrast-to-noise ratio was used to quantify image quality. Tracking accuracy and strain image quality generally improved with increased tracking sophistication. When used as input for a 3-D modulus reconstruction, high quality 3-D displacement estimates yielded accurate and low noise modulus reconstruction.

  13. Building 3D scenes from 2D image sequences

    NASA Astrophysics Data System (ADS)

    Cristea, Paul D.

    2006-05-01

    Sequences of 2D images, taken by a single moving video receptor, can be fused to generate a 3D representation. This dynamic stereopsis exists in birds and reptiles, whereas the static binocular stereopsis is common in mammals, including humans. Most multimedia computer vision systems for stereo image capture, transmission, processing, storage and retrieval are based on the concept of binocularity. As a consequence, their main goal is to acquire, conserve and enhance pairs of 2D images able to generate a 3D visual perception in a human observer. Stereo vision in birds is based on the fusion of images captured by each eye, with previously acquired and memorized images from the same eye. The process goes on simultaneously and conjointly for both eyes and generates an almost complete all-around visual field. As a consequence, the baseline distance is no longer fixed, as in the case of binocular 3D view, but adjustable in accordance with the distance to the object of main interest, allowing a controllable depth effect. Moreover, the synthesized 3D scene can have a better resolution than each individual 2D image in the sequence. Compression of 3D scenes can be achieved, and stereo transmissions with lower bandwidth requirements can be developed.

  14. A novel point cloud registration using 2D image features

    NASA Astrophysics Data System (ADS)

    Lin, Chien-Chou; Tai, Yen-Chou; Lee, Jhong-Jin; Chen, Yong-Sheng

    2017-01-01

    Since a 3D scanner only captures a scene of a 3D object at a time, a 3D registration for multi-scene is the key issue of 3D modeling. This paper presents a novel and an efficient 3D registration method based on 2D local feature matching. The proposed method transforms the point clouds into 2D bearing angle images and then uses the 2D feature based matching method, SURF, to find matching pixel pairs between two images. The corresponding points of 3D point clouds can be obtained by those pixel pairs. Since the corresponding pairs are sorted by their distance between matching features, only the top half of the corresponding pairs are used to find the optimal rotation matrix by the least squares approximation. In this paper, the optimal rotation matrix is derived by orthogonal Procrustes method (SVD-based approach). Therefore, the 3D model of an object can be reconstructed by aligning those point clouds with the optimal transformation matrix. Experimental results show that the accuracy of the proposed method is close to the ICP, but the computation cost is reduced significantly. The performance is six times faster than the generalized-ICP algorithm. Furthermore, while the ICP requires high alignment similarity of two scenes, the proposed method is robust to a larger difference of viewing angle.

  15. Resolving 2D Amorphous Materials with Scanning Probe Microscopy

    NASA Astrophysics Data System (ADS)

    Burson, Kristen M.; Buechner, Christin; Lewandowski, Adrian; Heyde, Markus; Freund, Hans-Joachim

    Novel two-dimensional (2D) materials have garnered significant scientific interest due to their potential technological applications. Alongside the emphasis on crystalline materials, such as graphene and hexagonal BN, a new class of 2D amorphous materials must be pursued. For amorphous materials, a detailed understanding of the complex structure is necessary. Here we present a structural study of 2D bilayer silica on Ru(0001), an insulating material which is weakly coupled to the substrate. Atomic structure has been determined with a dual mode atomic force microscopy (AFM) and scanning tunneling microscopy (STM) sensor in ultra-high vacuum (UHV) at low temperatures, revealing a network of different ring sizes. Liquid AFM measurements with sub-nanometer resolution bridge the gap between clean UHV conditions and the environments that many material applications demand. Samples are grown and characterized in vacuum and subsequently transferred to the liquid AFM. Notably, the key structural features observed, namely nanoscale ring networks and larger holes to the substrate, show strong quantitative agreement between the liquid and UHV microscopy measurements. This provides direct evidence for the structural stability of these silica films for nanoelectronics and other applications. KMB acknowledges support from the Alexander von Humboldt Foundation.

  16. F-theory and 2d (0, 2) theories

    NASA Astrophysics Data System (ADS)

    Schäfer-Nameki, Sakura; Weigand, Timo

    2016-05-01

    F-theory compactified on singular, elliptically fibered Calabi-Yau five-folds gives rise to two-dimensional gauge theories preserving N = (0 , 2) supersymmetry. In this paper we initiate the study of such compactifications and determine the dictionary between the geometric data of the elliptic fibration and the 2d gauge theory such as the matter content in terms of (0 , 2) superfields and their supersymmetric couplings. We study this setup both from a gauge-theoretic point of view, in terms of the partially twisted 7-brane theory, and provide a global geometric description based on the structure of the elliptic fibration and its singularities. Global consistency conditions are determined and checked against the dual M-theory compactification to one dimension. This includes a discussion of gauge anomalies, the structure of the Green-Schwarz terms and the Chern-Simons couplings in the dual M-theory supersymmetric quantum mechanics. Furthermore, by interpreting the resulting 2d (0 , 2) theories as heterotic worldsheet theories, we propose a correspondence between the geometric data of elliptically fibered Calabi-Yau five-folds and the target space of a heterotic gauged linear sigma-model (GLSM). In particular the correspondence between the Landau-Ginsburg and sigma-model phase of a 2d (0 , 2) GLSM is realized via different T-branes or gluing data in F-theory.

  17. An Intercomparison of 2-D Models Within a Common Framework

    NASA Technical Reports Server (NTRS)

    Weisenstein, Debra K.; Ko, Malcolm K. W.; Scott, Courtney J.; Jackman, Charles H.; Fleming, Eric L.; Considine, David B.; Kinnison, Douglas E.; Connell, Peter S.; Rotman, Douglas A.; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    A model intercomparison among the Atmospheric and Environmental Research (AER) 2-D model, the Goddard Space Flight Center (GSFC) 2-D model, and the Lawrence Livermore National Laboratory 2-D model allows us to separate differences due to model transport from those due to the model's chemical formulation. This is accomplished by constructing two hybrid models incorporating the transport parameters of the GSFC and LLNL models within the AER model framework. By comparing the results from the native models (AER and e.g. GSFC) with those from the hybrid model (e.g. AER chemistry with GSFC transport), differences due to chemistry and transport can be identified. For the analysis, we examined an inert tracer whose emission pattern is based on emission from a High Speed Civil Transport (HSCT) fleet; distributions of trace species in the 2015 atmosphere; and the response of stratospheric ozone to an HSCT fleet. Differences in NO(y) in the upper stratosphere are found between models with identical transport, implying different model representations of atmospheric chemical processes. The response of O3 concentration to HSCT aircraft emissions differs in the models from both transport-dominated differences in the HSCT-induced perturbations of H2O and NO(y) as well as from differences in the model represent at ions of O3 chemical processes. The model formulations of cold polar processes are found to be the most significant factor in creating large differences in the calculated ozone perturbations

  18. Volumetric Elasticity Imaging with a 2D CMUT Array

    PubMed Central

    Fisher, Ted G.; Hall, Timothy J.; Panda, Satchi; Richards, Michael S.; Barbone, Paul E.; Jiang, Jingfeng; Resnick, Jeff; Barnes, Steve

    2010-01-01

    This paper reports the use of a two-dimensional (2D) capacitive micro-machined ultrasound transducer (CMUT) to acquire radio frequency (RF) echo data from relatively large volumes of a simple ultrasound phantom to compare 3D elasticity imaging methods. Typical 2D motion tracking for elasticity image formation was compared to three different methods of 3D motion tracking, with sum-squared difference (SSD) used as the similarity measure. Differences among the algorithms were the degree to which they tracked elevational motion: not at all (2D search), planar search, combination of multiple planes, and plane independent guided search. The cross correlation between the pre-deformation and motion-compensated post-deformation RF echo fields was used to quantify motion tracking accuracy. The lesion contrast-to-noise ratio was used to quantify image quality. Tracking accuracy and strain image quality generally improved with increased tracking sophistication. When used as input for a 3D modulus reconstruction, high quality 3D displacement estimates yielded accurate and low noise modulus reconstruction. PMID:20510188

  19. Murine cytomegalovirus regulation of NKG2D ligands.

    PubMed

    Lenac, Tihana; Arapović, Jurica; Traven, Luka; Krmpotić, Astrid; Jonjić, Stipan

    2008-06-01

    Human cytomegalovirus (HCMV) is a ubiquitous pathogen that causes morbidity risk in immunologically suppressed and immunodeficient patients including congenital infections. Approaches to curb the consequences of HCMV infections are restricted by a lack of complete understanding of viral pathogenesis. The infection of mice with murine cytomegalovirus (MCMV) as a model of HCMV infection has been particularly useful in elucidating the role of innate and adaptive immune response mechanisms. A large number of cytomegalovirus genes modulate the innate and the adaptive host immune response. The products of several MCMV genes are involved in subverting the natural killer (NK) cell response by down-modulating cellular ligands for the NKG2D receptor expressed on NK cells and CD8(+) T cells. Mutant viruses lacking these immunoevasion genes are attenuated with respect to virus growth in vivo. Given the importance of the NKG2D receptor in controlling both NK- and T cell-mediated immunity, it is of tremendous importance to understand the molecular mechanisms and consequences of viral regulation of the NKG2D ligands.

  20. Design Application Translates 2-D Graphics to 3-D Surfaces

    NASA Technical Reports Server (NTRS)

    2007-01-01

    Fabric Images Inc., specializing in the printing and manufacturing of fabric tension architecture for the retail, museum, and exhibit/tradeshow communities, designed software to translate 2-D graphics for 3-D surfaces prior to print production. Fabric Images' fabric-flattening design process models a 3-D surface based on computer-aided design (CAD) specifications. The surface geometry of the model is used to form a 2-D template, similar to a flattening process developed by NASA's Glenn Research Center. This template or pattern is then applied in the development of a 2-D graphic layout. Benefits of this process include 11.5 percent time savings per project, less material wasted, and the ability to improve upon graphic techniques and offer new design services. Partners include Exhibitgroup/Giltspur (end-user client: TAC Air, a division of Truman Arnold Companies Inc.), Jack Morton Worldwide (end-user client: Nickelodeon), as well as 3D Exhibits Inc., and MG Design Associates Corp.

  1. Broadband THz Spectroscopy of 2D Nanoscale Materials

    NASA Astrophysics Data System (ADS)

    Chen, Lu; Tripathi, Shivendra; Huang, Mengchen; Hsu, Jen-Feng; D'Urso, Brian; Lee, Hyungwoo; Eom, Chang-Beom; Irvin, Patrick; Levy, Jeremy

    Two-dimensional (2D) materials such as graphene and transition-metal dichalcogenides (TMDC) have attracted intense research interest in the past decade. Their unique electronic and optical properties offer the promise of novel optoelectronic applications in the terahertz regime. Recently, generation and detection of broadband terahertz (10 THz bandwidth) emission from 10-nm-scale LaAlO3/SrTiO3 nanostructures created by conductive atomic force microscope (c-AFM) lithography has been demonstrated . This unprecedented control of THz emission at 10 nm length scales creates a pathway toward hybrid THz functionality in 2D-material/LaAlO3/SrTiO3 heterostructures. Here we report initial efforts in THz spectroscopy of 2D nanoscale materials with resolution comparable to the dimensions of the nanowire (10 nm). Systems under investigation include graphene, single-layer molybdenum disulfide (MoS2), and tungsten diselenide (WSe2) nanoflakes. 1. Y. Ma, et al., Nano Lett. 13, 2884 (2013). We gratefully acknowledge financial support from the following agencies and grants: AFOSR (FA9550-12-1-0268 (JL, PRI), FA9550-12-1-0342 (CBE)), ONR (N00014-13-1-0806 (JL, CBE), N00014-15-1-2847 (JL)), NSF DMR-1124131 (JL, CBE) and DMR-1234096 (CBE).

  2. Autistic Features in Girls from a Psychiatric Sample Are Strongly Associated with a Low 2D:4D Ratio

    ERIC Educational Resources Information Center

    De Bruin, Esther I.; De Nijs, Pieter F. A.; Verheij, Fop; Verhagen, Debora H.; Ferdinand, Robert F.

    2009-01-01

    Autistic features such as deficits in social interactions and communication have been associated with a low 2D:4D ratio in normal children.This study assessed this association in a large sample of children with a variety of psychiatric disorders (n = 35 girls and n = 147 boys). Autistic features were assessed with a highly valid and reliable…

  3. Investigation on the spectral properties of 2D asynchronous fluorescence spectra generated by using variable excitation wavelengths as a perturbation

    NASA Astrophysics Data System (ADS)

    Wang, Jingdan; He, Anqi; Guo, Ran; Wei, Yongju; Feng, Juan; Xu, Yizhuang; Noda, Isao; Wu, Jinguang

    2016-11-01

    Properties of 2D asynchronous spectra generated from a series of fluorescence emission spectra are investigated. Variable excitation wavelengths are utilized as an external perturbation. Based on the results of mathematical analysis and computer simulation, we find that no cross peak will be produced on the 2D asynchronous spectrum if the fluorescent solute under investigation occurs in a single micro-environment. The observation of cross peaks implies that the fluorescent molecule may occur in different micro-environments in a solution. Based on these results, we use 2D asynchronous spectra to investigate the emission spectra of anthracene dissolved in cyclohexane. When the concentration of anthracene is low, no cross peak is produced in the resultant 2D asynchronous spectrum, confirming that anthracene is dissolved as single molecule in the solution. As the concentration elevated, cross peaks appear in the corresponding 2D asynchronous spectra. A plausible explanation of this phenomenon is that anthracene may undergo aggregation via π-π interaction or π-C-H interaction.

  4. A semi-automatic 2D-to-3D video conversion with adaptive key-frame selection

    NASA Astrophysics Data System (ADS)

    Ju, Kuanyu; Xiong, Hongkai

    2014-11-01

    To compensate the deficit of 3D content, 2D to 3D video conversion (2D-to-3D) has recently attracted more attention from both industrial and academic communities. The semi-automatic 2D-to-3D conversion which estimates corresponding depth of non-key-frames through key-frames is more desirable owing to its advantage of balancing labor cost and 3D effects. The location of key-frames plays a role on quality of depth propagation. This paper proposes a semi-automatic 2D-to-3D scheme with adaptive key-frame selection to keep temporal continuity more reliable and reduce the depth propagation errors caused by occlusion. The potential key-frames would be localized in terms of clustered color variation and motion intensity. The distance of key-frame interval is also taken into account to keep the accumulated propagation errors under control and guarantee minimal user interaction. Once their depth maps are aligned with user interaction, the non-key-frames depth maps would be automatically propagated by shifted bilateral filtering. Considering that depth of objects may change due to the objects motion or camera zoom in/out effect, a bi-directional depth propagation scheme is adopted where a non-key frame is interpolated from two adjacent key frames. The experimental results show that the proposed scheme has better performance than existing 2D-to-3D scheme with fixed key-frame interval.

  5. Cytochrome P450-2D6 Screening Among Elderly Using Antidepressants (CYSCE)

    ClinicalTrials.gov

    2016-10-24

    Depression; Depressive Disorder; Poor Metabolizer Due to Cytochrome P450 CYP2D6 Variant; Intermediate Metabolizer Due to Cytochrome P450 CYP2D6 Variant; Ultrarapid Metabolizer Due to Cytochrome P450 CYP2D6 Variant

  6. Toward High Performance 2D/2D Hybrid Photocatalyst by Electrostatic Assembly of Rationally Modified Carbon Nitride on Reduced Graphene Oxide

    NASA Astrophysics Data System (ADS)

    Chen, Jian; Xu, Xiaochan; Li, Tao; Pandiselvi, Kannusamy; Wang, Jingyu

    2016-11-01

    Efficient metal-free visible photocatalysts with high stability are highly desired for sufficient utilization of solar energy. In this work, the popular carbon nitride (CN) photocatalyst is rationally modified by acid exfoliation of molecular grafted CN, achieving improved visible-light utilization and charge carriers mobility. Moreover, the modification process tuned the surface electrical property of CN, which enabled it to be readily coupled with the oppositely charged graphene oxide during the following photo-assisted electrostatic assembly. Detailed characterizations indicate the formation of well-contacted 2D/2D heterostructure with strong interfacial interaction between the modified CN nanosheets (CNX-NSs) and reduced graphene oxide (RGO). The optimized hybrid (with a RGO ratio of 20%) exhibits the best photocatalytic performance toward MB degradation, which is almost 12.5 and 7.0 times of CN under full spectrum and visible-light irradiation, respectively. In addition, the hybrid exhibits high stability after five successive cycles with no obvious change in efficiency. Unlike pure CNX-NSs, the dye decomposition mostly depends on the H2O2 generation by a two-electron process due to the electron reservoir property of RGO. Thus the enhancement in photocatalytic activity could be ascribed to the improved light utilization and increased charge transfer ability across the interface of CNX-NSs/RGO heterostructure.

  7. Toward High Performance 2D/2D Hybrid Photocatalyst by Electrostatic Assembly of Rationally Modified Carbon Nitride on Reduced Graphene Oxide

    PubMed Central

    Chen, Jian; Xu, Xiaochan; Li, Tao; Pandiselvi, Kannusamy; Wang, Jingyu

    2016-01-01

    Efficient metal-free visible photocatalysts with high stability are highly desired for sufficient utilization of solar energy. In this work, the popular carbon nitride (CN) photocatalyst is rationally modified by acid exfoliation of molecular grafted CN, achieving improved visible-light utilization and charge carriers mobility. Moreover, the modification process tuned the surface electrical property of CN, which enabled it to be readily coupled with the oppositely charged graphene oxide during the following photo-assisted electrostatic assembly. Detailed characterizations indicate the formation of well-contacted 2D/2D heterostructure with strong interfacial interaction between the modified CN nanosheets (CNX-NSs) and reduced graphene oxide (RGO). The optimized hybrid (with a RGO ratio of 20%) exhibits the best photocatalytic performance toward MB degradation, which is almost 12.5 and 7.0 times of CN under full spectrum and visible-light irradiation, respectively. In addition, the hybrid exhibits high stability after five successive cycles with no obvious change in efficiency. Unlike pure CNX-NSs, the dye decomposition mostly depends on the H2O2 generation by a two-electron process due to the electron reservoir property of RGO. Thus the enhancement in photocatalytic activity could be ascribed to the improved light utilization and increased charge transfer ability across the interface of CNX-NSs/RGO heterostructure. PMID:27853309

  8. Quantitative Proteomic and Phosphoproteomic Comparison of 2D and 3D Colon Cancer Cell Culture Models.

    PubMed

    Yue, Xiaoshan; Lukowski, Jessica K; Weaver, Eric M; Skube, Susan B; Hummon, Amanda B

    2016-12-02

    Cell cultures are widely used model systems. Some immortalized cell lines can be grown in either two-dimensional (2D) adherent monolayers or in three-dimensional (3D) multicellular aggregates, or spheroids. Here, the quantitative proteome and phosphoproteome of colon carcinoma HT29 cells cultures in 2D monolayers and 3D spheroids were compared with a stable isotope labeling of amino acids (SILAC) labeling strategy. Two biological replicates from each sample were examined, and notable differences in both the proteome and the phosphoproteome were determined by nanoliquid chromatography tandem mass spectrometry (LC-MS/MS) to assess how growth configuration affects molecular expression. A total of 5867 protein groups, including 2523 phosphoprotein groups and 8733 phosphopeptides were identified in the samples. The Gene Ontology analysis revealed enriched GO terms in the 3D samples for RNA binding, nucleic acid binding, enzyme binding, cytoskeletal protein binding, and histone binding for their molecular functions (MF) and in the process of cell cycle, cytoskeleton organization, and DNA metabolic process for the biological process (BP). The KEGG pathway analysis indicated that 3D cultures are enriched for oxidative phosphorylation pathways, metabolic pathways, peroxisome pathways, and biosynthesis of amino acids. In contrast, analysis of the phosphoproteomes indicated that 3D cultures have decreased phosphorylation correlating with slower growth rates and lower cell-to-extracellular matrix interactions. In sum, these results provide quantitative assessments of the effects on the proteome and phosphoproteome of culturing cells in 2D versus 3D cell culture configurations.

  9. 2D coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.

    PubMed

    Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng

    2012-05-14

    Five new 2D coordination polymers, [Co(nip)(CuL)(H(2)O)]·CH(3)OH (1), [Mn(ip)(NiL)]·0.63H(2)O (2), [Cu(ip)(CuL)] (3), [Mn(6)(CuL)(6)(btc)(4)(H(2)O)(4)]·7H(2)O (4), and [Cu(CuL)(Hbtc)(H(2)O)] (5)(ML, H(2)L = 2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,13-diene; H(2)nip = 5-nitroisophthalic acid; H(2)ip = m-isophthalic acid; H(3)btc = 1,3,5-benzenetricarboxylic acid) have been synthesized by a solvothermal method and characterized by single-crystal X-ray diffraction. Complexes 1-5 exhibit different 2D layered structures formed by Co(2)Cu(2) (1), Mn(2)Ni(2) (2), Cu(4) (3), Mn(3)Ni(3) (4), Cu(4) (5) units, respectively, via the oxamide and diverse carboxylic acid bridges. Compounds 1, 2, 3 and 5 are uninodal 4-connected (4, 4)-grids topology, while complex 4 possesses a 2D network with (3, 4)-connected (4(2).8)(4)(4(3).6(2).8)(3) topology. The results of magnetic determination show pronounced antiferromagnetic interactions in 1-4.

  10. Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization

    NASA Astrophysics Data System (ADS)

    Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken

    How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.

  11. Update of the G2D tool for prioritization of gene candidates to inherited diseases

    PubMed Central

    Perez-Iratxeta, Carolina; Bork, Peer; Andrade-Navarro, Miguel A.

    2007-01-01

    G2D (genes to diseases) is a web resource for prioritizing genes as candidates for inherited diseases. It uses three algorithms based on different prioritization strategies. The input to the server is the genomic region where the user is looking for the disease-causing mutation, plus an additional piece of information depending on the algorithm used. This information can either be the disease phenotype (described as an online Mendelian inheritance in man (OMIM) identifier), one or several genes known or suspected to be associated with the disease (defined by their Entrez Gene identifiers), or a second genomic region that has been linked as well to the disease. In the latter case, the tool uses known or predicted interactions between genes in the two regions extracted from the STRING database. The output in every case is an ordered list of candidate genes in the region of interest. For the first two of the three methods, the candidate genes are first retrieved through sequence homology search, then scored accordingly to the corresponding method. This means that some of them will correspond to well-known characterized genes, and others will overlap with predicted genes, thus providing a wider analysis. G2D is publicly available at http://www.ogic.ca/projects/g2d_2/ PMID:17478516

  12. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    PubMed

    Deflores, Lauren P; Ganim, Ziad; Nicodemus, Rebecca A; Tokmakoff, Andrei

    2009-03-11

    We demonstrate how multimode 2D IR spectroscopy of the protein amide I' and II' vibrations can be used to distinguish protein secondary structure. Polarization-dependent amide I'-II' 2D IR experiments on poly-l-lysine in the beta-sheet, alpha-helix, and random coil conformations show that a combination of amide I' and II' diagonal and cross peaks can effectively distinguish between secondary structural content, where amide I' infrared spectroscopy alone cannot. The enhanced sensitivity arises from frequency and amplitude correlations between amide II' and amide I' spectra that reflect the symmetry of secondary structures. 2D IR surfaces are used to parametrize an excitonic model for the amide I'-II' manifold suitable to predict protein amide I'-II' spectra. This model reveals that the dominant vibrational interaction contributing to this sensitivity is a combination of negative amide II'-II' through-bond coupling and amide I'-II' coupling within the peptide unit. The empirically determined amide II'-II' couplings do not significantly vary with secondary structure: -8.5 cm(-1) for the beta sheet, -8.7 cm(-1) for the alpha helix, and -5 cm(-1) for the coil.

  13. 2D Crystal heterostructures properties and growth by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Xing, Grace Huili

    Two-dimensional (2D) crystals such as transition metal dichalcogenides (TMDs) along with other families of layered materials including graphene, SnSe2, GaSe, BN etc, has attracted intense attention from the scientific community. One monolayer of such materials represent the thinnest ``quantum wells''. These layered materials typically possess an in-plane hexagonal crystal structure, and can be stacked together by interlayer van der Waals interactions. Therefore, it is possible to create novel heterostructures by stacking materials with large lattice mismatches and different properties, for instance, superconductors (NbSe2) , metals, semi-metals (graphene), semiconductors (MoS2) and insulators (BN). Numerous novel material properties and device concepts have been discovered, proposed and demonstrated lately. However, the low internal photoluminescence efficiency (IPE, <1%) and low carrier mobility observed in the 2D semiconductors suggest strongly that the materials under investigation today most likely suffer from a high concentration of defects. In this talk, I will share our progress and the challenges we face in terms of preparing, characterizing these 2D crystals as well as pursuing their applications. This work has been supported in part by NSF, AFOSR and LEAST, one of the STARnet centers.

  14. Numerical studies of the melting transition in 2D Yukawa systems

    SciTech Connect

    Hartmann, P.; Donko, Z.; Kalman, G. J.

    2008-09-07

    We present the latest results of our systematic studies of the solid--liquid phase transition in 2D classical many-particle systems interacting with the Yukawa potential. Our previous work is extended by applying the molecular dynamic simulations to systems with up to 1.6 million particles in the computational box (for {kappa} = 2 case). Equilibrium simulations are performed for different coupling parameters in the vicinity of the expected melting transition ({gamma}{sub m}{sup {kappa}}{sup ={sup 2}}{approx_equal}415) and a wide range of observables are averaged over uncorrelated samples of the micro-canonical ensemble generated by the simulations.

  15. Rolling, Sliding and Mixing of a 2D Granular Media in a Thin Vertical Drum

    NASA Astrophysics Data System (ADS)

    Kolsky, Daniel; Galbreath, Ashford; Olafsen, Jeffrey S.

    2000-11-01

    Even for a relatively small number of particles, interactions of collision and friction complicate the understanding of the dynamics in granular flows. A rich assortment of interesting dynamics is exhibited in a 2D experiment of stainless steel disks contained in a rotating, thin, vertical drum. Analysis of high-speed and high-resolution photography reveals various distributions of translational and rotational kinetic energy within the granular flow as the number of particles in the drum is increased. A detailed examination of the collective behavior in this experiment is important for understanding mixing in granular flows.

  16. High resolution study of the six lowest doubly excited vibrational states of PH 2D

    NASA Astrophysics Data System (ADS)

    Leroy, C.; Ulenikov, O. N.; Bekhtereva, E. S.; Onopenko, G. A.; Chudinova, T. D.

    2005-12-01

    The five lowest doubly excited deformational vibrational bands ν4 + ν6, 2 ν6, ν3 + ν4, ν3 + ν6, and 2 ν3 of PH 2D have been recorded for the first time using a Bruker 120 HR interferometer with a resolution 0.0033 cm -1 and analysed. Some transitions belonging to a very weak band 2 ν4 have been also assigned. From the fit 24 and 86, respectively, diagonal and resonance interaction parameters were obtained which reproduce 1089 upper energy levels obtained from more than 4600 assigned transitions with the rms deviation of 0.00059 cm -1.

  17. Hall-velocity limited magnetoconductivity in a 2D Wigner solid

    NASA Astrophysics Data System (ADS)

    Fozooni, P.; Djerfi, K.; Kristensen, Anders; Lea, M. J.; Richardson, P. J.; Santrich-Badal, A.; Blackburn, A.; van der Heijden, R. W.

    1996-01-01

    The magnetoconductivity σ( B) of a classical 2D electron crystal on superfluid4He is non-linear. Experimentally we find a contribution to σ( B) which at constant field, gives σ( B)∞ J x, the current density, while at constant current, σ( B) ∞ 1/ B. In this region the Hall velocity νH slowly approaches the ripplon velocity νI at the first reciprocal lattice vector, due to strong electron-ripplon interactions with the helium. The magnetoconductivity decreases sharply for νH>νI. Fluctuations in σ( B) are seen above the melting temperature.

  18. 2D-CELL: image processing software for extraction and analysis of 2-dimensional cellular structures

    NASA Astrophysics Data System (ADS)

    Righetti, F.; Telley, H.; Leibling, Th. M.; Mocellin, A.

    1992-01-01

    2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitized image, the programs extract the line network (skeleton) of the structure and determine the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells — local boundary curvatures are neglected for simplicity. Using elementary analytical geometry relations, a range of metric and topological parameters describing the population are then computed, organized into statistical distributions and graphically displayed.

  19. Altered expression of small heterodimer partner governs cytochrome P450 (CYP) 2D6 induction during pregnancy in CYP2D6-humanized mice.

    PubMed

    Koh, Kwi Hye; Pan, Xian; Shen, Hong-Wu; Arnold, Samuel L M; Yu, Ai-Ming; Gonzalez, Frank J; Isoherranen, Nina; Jeong, Hyunyoung

    2014-02-07

    Substrates of a major drug-metabolizing enzyme CYP2D6 display increased elimination during pregnancy, but the underlying mechanisms are unknown in part due to a lack of experimental models. Here, we introduce CYP2D6-humanized (Tg-CYP2D6) mice as an animal model where hepatic CYP2D6 expression is increased during pregnancy. In the mouse livers, expression of a known positive regulator of CYP2D6, hepatocyte nuclear factor 4α (HNF4α), did not change during pregnancy. However, HNF4α recruitment to CYP2D6 promoter increased at term pregnancy, accompanied by repressed expression of small heterodimer partner (SHP). In HepG2 cells, SHP repressed HNF4α transactivation of CYP2D6 promoter. In transgenic (Tg)-CYP2D6 mice, SHP knockdown led to a significant increase in CYP2D6 expression. Retinoic acid, an endogenous compound that induces SHP, exhibited decreased hepatic levels during pregnancy in Tg-CYP2D6 mice. Administration of all-trans-retinoic acid led to a significant decrease in the expression and activity of hepatic CYP2D6 in Tg-CYP2D6 mice. This study provides key insights into mechanisms underlying altered CYP2D6-mediated drug metabolism during pregnancy, laying a foundation for improved drug therapy in pregnant women.

  20. 2D OR NOT 2D: THE EFFECT OF DIMENSIONALITY ON THE DYNAMICS OF FINGERING CONVECTION AT LOW PRANDTL NUMBER

    SciTech Connect

    Garaud, Pascale; Brummell, Nicholas

    2015-12-10

    Fingering convection (otherwise known as thermohaline convection) is an instability that occurs in stellar radiative interiors in the presence of unstable compositional gradients. Numerical simulations have been used in order to estimate the efficiency of mixing induced by this instability. However, fully three-dimensional (3D) computations in the parameter regime appropriate for stellar astrophysics (i.e., low Prandtl number) are prohibitively expensive. This raises the question of whether two-dimensional (2D) simulations could be used instead to achieve the same goals. In this work, we address this issue by comparing the outcome of 2D and 3D simulations of fingering convection at low Prandtl number. We find that 2D simulations are never appropriate. However, we also find that the required 3D computational domain does not have to be very wide: the third dimension only needs to contain a minimum of two wavelengths of the fastest-growing linearly unstable mode to capture the essentially 3D dynamics of small-scale fingering. Narrow domains, however, should still be used with caution since they could limit the subsequent development of any large-scale dynamics typically associated with fingering convection.

  1. Hybrid 3D-2D printing of bone scaffolds Hybrid 3D-2D printing methods for bone scaffolds fabrication.

    PubMed

    Prinz, V Ya; Seleznev, Vladimir

    2016-12-13

    It is a well-known fact that bone scaffold topography on micro- and nanometer scale influences the cellular behavior. Nano-scale surface modification of scaffolds allows the modulation of biological activity for enhanced cell differentiation. To date, there has been only a limited success in printing scaffolds with micro- and nano-scale features exposed on the surface. To improve on the currently available imperfect technologies, in our paper we introduce new hybrid technologies based on a combination of 2D (nano imprint) and 3D printing methods. The first method is based on using light projection 3D printing and simultaneous 2D nanostructuring of each of the layers during the formation of the 3D structure. The second method is based on the sequential integration of preliminarily created 2D nanostructured films into a 3D printed structure. The capabilities of the developed hybrid technologies are demonstrated with the example of forming 3D bone scaffolds. The proposed technologies can be used to fabricate complex 3D micro- and nanostructured products for various fields.

  2. Solution conformation of 2-aminopurine (2-AP) dinucleotide determined by ultraviolet 2D fluorescence spectroscopy (UV-2D FS).

    PubMed

    Widom, Julia R; Johnson, Neil P; von Hippel, Peter H; Marcus, Andrew H

    2013-02-01

    We have observed the conformation-dependent electronic coupling between the monomeric subunits of a dinucleotide of 2-aminopurine (2-AP), a fluorescent analog of the nucleic acid base adenine. This was accomplished by extending two-dimensional fluorescence spectroscopy (2D FS) - a fluorescence-detected variation of 2D electronic spectroscopy - to excite molecular transitions in the ultraviolet (UV) regime. A collinear sequence of four ultrafast laser pulses centered at 323 nm was used to resonantly excite the coupled transitions of 2-AP dinucleotide. The phases of the optical pulses were continuously swept at kilohertz frequencies, and the ensuing nonlinear fluorescence was phase-synchronously detected at 370 nm. Upon optimization of a point-dipole coupling model to our data, we found that in aqueous buffer the 2-AP dinucleotide adopts an average conformation in which the purine bases are non-helically stacked (center-to-center distance R12 = 3.5 Å ± 0.5 Å, twist angle θ12 = 5° ± 5°), which differs from the conformation of such adjacent bases in duplex DNA. These experiments establish UV-2D FS as a method for examining the local conformations of an adjacent pair of fluorescent nucleotides substituted into specific DNA or RNA constructs, which will serve as a powerful probe to interpret, in structural terms, biologically significant local conformational changes within the nucleic acid framework of protein-nucleic acid complexes.

  3. The histone deacetylase inhibitor valproic acid inhibits NKG2D expression in natural killer cells through suppression of STAT3 and HDAC3

    PubMed Central

    Ni, Lulu; Wang, Lixin; Yao, Chao; Ni, Zhongya; Liu, Fei; Gong, Chenyuan; Zhu, Xiaowen; Yan, Xuewei; Watowich, Stephanie S.; Lee, Dean A.; Zhu, Shiguo

    2017-01-01

    NKG2D is a major activating receptor of NK cells and plays a critical role in tumor immunosurveillance. NKG2D expression in NK cells is inhibited by the histone deacetylase (HDAC) inhibitor valproic acid (VPA) and enhanced by the narrow-spectrum HDAC inhibitor entinostat. We previously demonstrated that entinostat enhanced NKG2D transcription by increasing acetylation of Histones H3 and H4. However, the mechanism by which VPA reduces NKG2D expression in NK cells is not known. We have also shown that NKG2D transcription is regulated by STAT3 phosphorylation. In this study, we investigated regulation of NKG2D expression in NK cells by VPA and entinostat by assessing protein expression, phosphorylation, and interaction of HDACs and STAT3. We find that VPA selectively inhibits STAT3 tyrosine705 phosphorylation, but entinostat does not. STAT3 complexes with HDAC3, and HDAC3 inhibition represses STAT3 phosphorylation and therefore NKG2D expression. NK cells from STAT3 wild-type mice downregulate NKG2D in response to VPA, but not NK cells from STAT3 knockout mice. These results show that VPA is a potent inhibitor of STAT3 phosphorylation and demonstrate that histone acetylation and STAT3 tyrosine705 phosphorylation cooperate in regulating NKG2D expression in NK cells. PMID:28338101

  4. Cloning and characterization of a novel human phosphatidic acid phosphatase type 2, PAP2d, with two different transcripts PAP2d_v1 and PAP2d_v2.

    PubMed

    Sun, Liyun; Gu, Shaohua; Sun, Yaqiong; Zheng, Dan; Wu, Qihan; Li, Xin; Dai, Jianfeng; Dai, Jianliang; Ji, Chaoneng; Xie, Yi; Mao, Yumin

    2005-04-01

    This study reports the cloning and characterization of a novel human phosphatidic acid phosphatase type 2 isoform cDNAs (PAP2d) from the foetal brain cDNA library. The PAP2d gene is localized on chromosome 1p21.3. It contains six exons and spans 112 kb of the genomic DNA. By large-scale cDNA sequencing we found two splice variants of PAP2d, PAP2d_v1 and PAP2d_v2. The PAP2d_v1 cDNA is 1722 bp in length and spans an open reading frame from nucleotide 56 to 1021, encoding a 321aa protein. The PAP2d_v2 cDNA is 1707 bp in length encoding a 316aa protein from nucleotide 56-1006. The PAP2d_v1 cDNA is 15 bp longer than the PAP2d_v2 cDNA in the terminal of the fifth exon and it creates different ORF. Both of the proteins contain a well-conserved PAP2 motif. The PAP2d_v1 is mainly expressed in human brain, lung, kidney, testis and colon, while PAP2d_v2 is restricted to human placenta, skeletal muscle, and kidney. The two splice variants are co-expressed only in kidney.

  5. Initial results with the LLNL 2-D chemical-radiative-transport model of the troposphere and stratosphere

    SciTech Connect

    Wuebbles, D.J.; Connell, P.S.; Grant, K.E.; Tarp, R.; Taylor, K.E.

    1987-09-01

    Significant progress has been made at LLNL in the development of a zonally averaged (two-dimensional) chemical-radiative-transport model of the troposphere and stratosphere. Although further model development and refinement is being planned the LLNL 2-D model is currently ready to be applied to appropriately designed research studies of stratospheric chemical processes and interactions. Several such studies are now underway. This paper provides a description of the existing 2-D model and discusses some of the pertinent results for evaluating the capabilities of the model. Special attempts at improving the timing of the model are also discussed. 6 figs.

  6. 2D Seismic Reflection Data across Central Illinois

    SciTech Connect

    Smith, Valerie; Leetaru, Hannes

    2014-09-30

    In a continuing collaboration with the Midwest Geologic Sequestration Consortium (MGSC) on the Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins project, Schlumberger Carbon Services and WesternGeco acquired two-dimensional (2D) seismic data in the Illinois Basin. This work included the design, acquisition and processing of approximately 125 miles of (2D) seismic reflection surveys running west to east in the central Illinois Basin. Schlumberger Carbon Services and WesternGeco oversaw the management of the field operations (including a pre-shoot planning, mobilization, acquisition and de-mobilization of the field personnel and equipment), procurement of the necessary permits to conduct the survey, post-shoot closure, processing of the raw data, and provided expert consultation as needed in the interpretation of the delivered product. Three 2D seismic lines were acquired across central Illinois during November and December 2010 and January 2011. Traversing the Illinois Basin, this 2D seismic survey was designed to image the stratigraphy of the Cambro-Ordovician sections and also to discern the basement topography. Prior to this survey, there were no regionally extensive 2D seismic data spanning this section of the Illinois Basin. Between the NW side of Morgan County and northwestern border of Douglas County, these seismic lines ran through very rural portions of the state. Starting in Morgan County, Line 101 was the longest at 93 miles in length and ended NE of Decatur, Illinois. Line 501 ran W-E from the Illinois Basin – Decatur Project (IBDP) site to northwestern Douglas County and was 25 miles in length. Line 601 was the shortest and ran N-S past the IBDP site and connected lines 101 and 501. All three lines are correlated to well logs at the IBDP site. Originally processed in 2011, the 2D seismic profiles exhibited a degradation of signal quality below ~400 millisecond (ms) which made

  7. Human erythrocytes analyzed by generalized 2D Raman correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wesełucha-Birczyńska, Aleksandra; Kozicki, Mateusz; Czepiel, Jacek; Łabanowska, Maria; Nowak, Piotr; Kowalczyk, Grzegorz; Kurdziel, Magdalena; Birczyńska, Malwina; Biesiada, Grażyna; Mach, Tomasz; Garlicki, Aleksander

    2014-07-01

    The most numerous elements of the blood cells, erythrocytes, consist mainly of two components: homogeneous interior filled with hemoglobin and closure which is the cell membrane. To gain insight into their specific properties we studied the process of disintegration, considering these two constituents, and comparing the natural aging process of human healthy blood cells. MicroRaman spectra of hemoglobin within the single RBC were recorded using 514.5, and 785 nm laser lines. The generalized 2D correlation method was applied to analyze the collected spectra. The time passed from blood donation was regarded as an external perturbation. The time was no more than 40 days according to the current storage limit of blood banks, although, the average RBC life span is 120 days. An analysis of the prominent synchronous and asynchronous cross peaks allow us to get insight into the mechanism of hemoglobin decomposition. Appearing asynchronous cross-peaks point towards globin and heme separation from each other, while synchronous shows already broken globin into individual amino acids. Raman scattering analysis of hemoglobin "wrapping", i.e. healthy erythrocyte ghosts, allows for the following peculiarity of their behavior. The increasing power of the excitation laser induced alterations in the assemblage of membrane lipids. 2D correlation maps, obtained with increasing laser power recognized as an external perturbation, allows for the consideration of alterations in the erythrocyte membrane structure and composition, which occurs first in the proteins. Cross-peaks were observed indicating an asynchronous correlation between the senescent-cell antigen (SCA) and heme or proteins vibrations. The EPR spectra of the whole blood was analyzed regarding time as an external stimulus. The 2D correlation spectra points towards participation of the selected metal ion centers in the disintegration process.

  8. Digit ratio (2D:4D), salivary testosterone, and handedness.

    PubMed

    Beaton, Alan A; Rudling, Nick; Kissling, Christian; Taurines, Regine; Thome, Johannes

    2011-03-01

    The length of the index finger relative to that of the ring finger, the 2D:4D ratio, has been taken to be a marker of the amount of testosterone (T) that was present in the foetal environment (Manning, Scutt, Wilson, & Lewis-Jones, 1998). It has also been suggested (Geschwind & Galaburda, 1987) that elevated levels of foetal T are associated with left-handedness and that adult levels of circulating T might relate to foetal levels (Jamison, Meier, & Campbell, 1993). We used multiple regression analyses to investigate whether there is any relationship between either left or right hand 2D:4D ratio and handedness. We also examined whether adult levels of salivary T (or cortisol, used as a control hormone) predict digit ratio and/or handedness. Although the 2D:4D ratio of neither the left nor the right hand was related to handedness, the difference between the digit ratios of the right and left hands, D(R-L), was a significant predictor of handedness and of the performance difference between the hands on a peg-moving task, supporting previous findings (Manning & Peters, 2009; Manning et al., 1998; Manning, Trivers, Thornhill, & Singh, 2000; Stoyanov, Marinov, & Pashalieva, 2009). Adult circulating